SI Ljubljana Hajdrihova 19 p.p. 660 Tel.: 01/ Faks: 01/ SI Ljubljana, Slovenia Hajdrihova 19 POBox

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2 SI Ljubljana Hajdrihova 9 p.p. 660 Tel.: 0/ Faks: 0/ SI Ljubljana, Slovenia Hajdrihova 9 POBox 660 Phone: +386 (0)/ Fax: +386 (0)/ Letno poročilo Annual report

3 Letno poročilo Annual report 206

4 Poslanstvo Mission Kazalo Index 8 Uvodna beseda direktorja Director s Introduction 4 70 let Kemijskega Inštituta National Institute of Chemistry 70th Anniversary 32 Presoja Mednarodnega znanstvenega Review of the International Scientific svetovalnega odbora Advisory Board 34 Razstavna dejavnost na Kemijskem Inštitutu Exhibition activity at the National Institute of Chemistry 4 Poslovanje, sodelovanje, izobraževanje Business and International Cooperation, Education 44 Pregled poslovanja inštituta Overview of Institute Operations 49 Zaposleni in izobraževanje Employees and Education Pridobivanje novih znanj s področja kemije in sorodnih ved; prenos pridobljenega znanja v industrijo; prenos pridobljenega znanja na mlajše generacije. Expand knowledge of chemistry and associated studies; Apply newly acquired knowledge in industry; Transfer knowledge to younger generations Doktorati, magisteriji, objave, nagrade Objave in citiranost v letu 206 Prenos znanja v gospodarstvo Uspehi, nagrade in priznanja v letu 206 Zaposleni v splošnem sektorju Odsek za računsko biokemijo in načrtovanje učinkovin Doctorate, Master, Publications, Awards Publications and Citations in 206 Knowledge Transfer into the Economy Successes, Awards, and Recognitions in 206 General sector employees Department of Computational Biochemistry and Drug Design 84 Odsek za kemometrijo Department of Cheminformatics 90 Odsek za analizno kemijo Department of Analytical Chemistry 96 Odsek za okoljske vede in inženirstvo Department for Environmental Sciences and Engineering 00 Odsek za prehrambeno kemijo Department of Food Chemistry 06 Odsek za polimerno kemijo in tehnologijo Department of Polymer Chemistry and Technology 2 Odsek za anorgansko kemijo in tehnologijo Department of Inorganic Chemistry and Technology 8 Odsek za kemijo materialov Department of Materials Chemistry 24 Odsek za molekularno biologijo Department of Molecular Biology in nanobiotehnologijo and Nanobiotechnology 30 Odsek za sintezno biologijo in imunologijo Department of Synthetic Biology and Immunology 36 Odsek za katalizo in reakcijsko inženirstvo Department of Catalysis and Chemical Reaction Engineering 42 Odsek za strukturo biomolekul Department of Biomolecular Structure 48 Nacionalni center za NMR Slovenian NMR Centre spektroskopijo visoke ločljivosti 54 Center za validacijske tehnologije in analitiko Center for Validation Technologies and Analytics 58 Odsek za molekularno modeliranje Department for Molecular Modeling 65 Bibliograija Bibliography 6 Letno poročilo 206 _ Annual Report 7

5 Uvodna beseda direktorja Director s introduction Leto 206 je bilo za Kemijski inštitut zelo pomembno. Po smrti prejšnjega direktorja prof. dr. Janka Jamnika in negotovem obdobju smo postavili dobre osnove za še boljše delo v prihodnje. Z nekaterimi novimi pristopi zvesto sledimo poslanstvu pridobivanja novih znanj s področja kemije in sorodnih ved in z uspehi dokazujemo, da smo v vrhu svetovne znanosti. Leto 206 je minilo v znamenju praznovanja sedemdesetletnice inštituta. V ta namen smo organizirali vrsto dogodkov, s katerimi smo počastili spomin na dolgo in častitljivo obdobje našega delovanja. Vrhunec praznovanja je bil Teden Kemijskega inštituta, v katerem smo organizirali posvete, okrogle mize, strokovna predavanja, predavanje iz zgodovine inštituta, vrata inštituta pa smo odprli tudi zunanjim obiskovalcem. Še posebej smo ponosni, da se je prvi obisk predsednika Evropskega raziskovalnega sveta (ERC) pričel ravno na Kemijskem inštitutu v okviru praznovanja sedemdesetletnice inštituta. Predsednik ERC dr. Jean-Pierre Bourguignon si je s predsednikom vlade dr. Mirom Cerarjem in ministrico za izobraževanje, znanost in šport dr. Majo Makovec Brenčič ogledal inštitut, priložnost pa smo izkoristili tudi za izpostavitev nekaterih problemov, s katerimi se srečujemo v slovenskem in evropskem znanstvenem prostoru. V Tednu Kemijskega inštituta smo organizirali tudi slavnostno akademijo, na kateri nas je s prisotnostjo počastil predsednik republike g. Borut Pahor. Na akademiji smo v prisotnosti visokih političnih gostov in gospodarstvenikov podelili Preglove nagrade za vrhunske dosežke in prvič posthumno tudi veliko Preglovo nagrado dr. Janku Jamniku za izjemen prispevek na področju raziskav materialov. Njegova pot se je predčasno tragično končala in brez dvoma bi dr. Jamnik še naprej aktivno in pomembno prispeval k tovrstnim raziskavam. Praznovanja sedemdesetih let delovanja so se nadaljevala jeseni z organizacijo prvega Jamnikovega simpozija za mlade znanstvenike in s tradicionalno podelitvijo Preglovih nagrad za najboljša doktorska dela, s katero smo sredi decembra sklenili jubilejno leto. Takrat smo tudi predstavili knjigo o sedemdesetih letih delovanja Kemijskega inštituta, ki je nastala s trdim delom dr. Jureta Zupana in prispevki drugih sodelavcev inštituta. V knjigi smo prvič zbrali nekatera dejstva o zgodovini inštituta in tako zaokrožili bogatih prvih sedemdeset let. V nenehnem iskanju možnosti za izboljšave in približevanja svetovnemu vrhu smo prvič organizirali presojo Mednarodnega znanstvenega svetovalnega odbora. Skupina eminentnih evropskih znanstvenikov s področja delovanja inštituta je zelo natančno pregledala dejavnosti inštituta in posameznih odsekov in podala vrsto koristnih napotkov, kako delo v prihodnje še izboljšati z namenom približevanja svetovnemu vrhu. Ob tem se je treba zahvaliti vodjem odsekov za odlične predstavitve raziskav in načrtov za prihodnost. Splošno mnenje odbora je bilo, da je Kemijski inštitut odlična znanstvena institucija, so pa seveda še znatne možnosti 206, for the National Institute of Chemistry, was very important. After the death of the previous director Prof. Dr. Janko Jamnik and after a period of uncertainty we have built a good basis for better work in the future. With some newer approaches we faithfully follow the mission of gaining new knowledge in the field of chemistry and related sciences and we are proving that we are at the top of global science. 206 was also marked by the celebration of the seventieth anniversary of the Institute. For this purpose we organised a series of events, with which we honoured the memory of the long and venerable period of our operation. The peak of the celebration was the Week of the National Institute of Chemistry, in which we organised consultations, round tables, professional lectures, a lecture on the history of the Institute, and the doors of the Institute were also opened to external visitors. We are especially proud that the first visit of the president of the European Research Council (ERC) to the National Institute of Chemistry was within the celebration of the seventieth anniversary of the Institute. The president of the ERC Dr. Jean-Pierre Bourguignon visited the Institute with Prime Minister Dr. Miro Cerar and Minister of Education, Science and Sport Dr. Maja Makovec Brenčič. We also took the opportunity to expose some problems, which we have encountered in Slovenian and European science space. In the Week of the National Institute of Chemistry we also organised a festive academy, where we were honoured by the presence of the President of the Republic of Slovenia, Mr. Borut Pahor. At the academy we awarded in the presence of high political and business guests the Pregl Awards for Exceptional Achievements and for the first time posthumously also the Grand Pregl Award to Dr. Janko Jamnik for exceptional contribution in the field of Materials Research. His path ended tragically before his time and Dr. Jamnik would without a doubt continue to actively and significantly contribute to such research. Celebrations of the seventieth anniversary of operation continued in autumn with the organisation of the first Jamnik symposium for young scientists and with the traditional award granting of Pregl Awards for the best doctoral thesis, with which we concluded the jubilee year in the middle of December. At that time we also presented the book about seventy years of operation of the National Institute of Chemistry, which came about with the hard work of Dr. Jure Zupan and contributions from other co-workers of the Institute. In the book we collected for the first time some facts about the history of the Institute and thus rounded up the first affluent seventy years. In constant search for possibilities for improvements and advancing to the global peak, we organised for the first time a review of the International Science Advisory Board. A group of eminent European scientists in the field of Institute operations reviewed the work and individual sections of the Institute very carefully and gave a series of useful instructions on how to make the work even better with the intention of advancing towards the global peak. Hereby it is suitable to thank the managers of the sections for excellent research and future plans presentations. The general opinion of the board was that the National Institute of Chemistry is a prime scientific institution, but that considerable possibilities for improvements are nonetheless possible. Some tips and suggestions of the board were al- 8 Letno poročilo 206 _ Annual Report 9

6 za izboljšave. Nekatere napotke in predloge odbora smo že upoštevali, nekatere druge pa bomo poskusili vključiti v prihodnje strategije Kemijskega inštituta. Na Kemijskem inštitutu se zaradi pomanjkanja sredstev soočamo z velikim upadom financiranja doktorskih študentov. Na to smo pristojne večkrat opozorili, saj postaja stanje zaradi pomanjkanja kadra nevzdržno za nadaljnji razvoj inštituta in tudi prehoda mladih strokovnjakov v slovensko industrijo. Z namenom olajšanja tega stanja smo leta 206 prvič razpisali doktorsko štipendijo Kemijskega inštituta in jo namenili biokemičarki Sabini Kolar. Posebnost doktorske štipendije je, da si študent sam izbere odsek, v katerem želi opravljati doktorsko delo, in Sabina si je izbrala Odsek za kemijo materialov. Upamo, da bomo tudi na tak način v prihodnje lahko prispevali k vzgoji vrhunskih mladih znanstvenikov, ki jih družba znanja, kot je Slovenija, zagotovo potrebuje še več. Tudi znanstvena produkcija inštituta je bila v letu 206 odlična. Zadržali smo trend zviševanja kakovosti objav, povprečni faktor vpliva revij, v katerih smo objavili članke, je bil najvišji v zgodovini, najboljših deset publikacij pa smo tudi leta 206 objavljali v najbolj prestižnih znanstvenih revijah. Ne nazadnje smo lani tudi prenovili celostno grafično podobo, ki smo jo počasi uvajali vse leto. Oblikovalca, ga. Katja Zelinka Škerlavaj, ki je oblikovala prvi znak inštituta pred 37 leti, in g. Peter Škerlavaj, sta pripravila novo grafično podobo inštituta, ki zdaj še bolj poudarja naše»klasične«epruvetke pri krovnem znaku, umeščenost podobe sejalca na slavnostnem znaku pa nakazuje na našo dolgoletno tradicijo, navezavo na slovensko družbo in zavezanost sejanju prenašanju našega znanja v vse pore družbe, na mlade, v širšo javnost in v gospodarstvo. Še naprej se bomo trudili plemeniti našo družbo na vseh področjih, tudi umetniškem. Ne nazadnje smo v letu 206 tudi obudili razstave likovnih del v avli inštituta in pritegnili nekaj eminentnih slovenskih ustvarjalcev. Odličnost na vseh področjih naj bo torej naša zaveza za prihodnost. ready considered, while others we will try to include in the future strategies of the National Institute of Chemistry. At the National Institute of Chemistry we are faced with a great drop in funding doctoral students due to the lack of resources. This was repeatedly pointed out to the competent persons, because the situation is due to the lack of staff becoming unsustainable for future Institute development and for the transition of young professionals into Slovenian industry. In order to facilitate this situation we launched in 206 a doctoral scholarship for the first time, which was given to biochemist Sabina Kolar. The speciality of this doctoral scholarship is that the student chooses the section, in which they wish to pursue their doctoral thesis, and Sabina chose the Section for Materials Chemistry. We hope that in that way we can contribute to the education of top-level young scientists, which a society of knowledge, such as Slovenia, definitely needs more of. The scientific production of the Institute in 206 was also excellent. We upheld the trend of quality publications, the average factor of journal impact, in which articles were published, was the highest in history; the best ten publications were also published in 206 in the most prestigious scientific journals. Last year we renovated the graphic image of NIC, which was slowly introduced through the whole year. Designers, Ms. Katja Zelinka Škerlavaj, who designed the first symbol of the Institute 37 years ago, and Mr. Peter Škerlavaj designed a new graphic image of the Institute, which now puts more emphasis on our classic test tube by the sign, the instalment of the image of the sower on the festive sign points out our tradition of many years, attachment to Slovenian society and commitment to sowing - transferring our knowledge into all pores of society, to young people, to the general public, and to the economy. We will continue to try to enrich our society in all fields, artistic as well. In 206 we also held art exhibitions in the lobby of the Institute and attracted some eminent Slovenian artists. Excellence in all fields should therefore be our commitment to the future. prof. dr. Gregor Anderluh prof. dr. Gregor Anderluh 0 Letno poročilo 206 _ Annual Report

7 70 let Kemijskega inštituta National Institute of Chemistry 70 years anniversary Letno poročilo 206 _ Annual Report 3

8 70 let Kemijskega inštituta 70 Years of the National Institute of Chemistry Leto 206 je bilo leto obeležitve 70-letnice Kemijskega inštituta. Pomembno obletnico smo praznovali z več slovesnimi in prijetnimi dogodki pod častnim pokroviteljstvom predsednika Republike Slovenije Boruta Pahorja. 206 was the year marking the 70th anniversary of the National Institute of Chemistry. This important anniversary was celebrated with many solemn and pleasant events under the honorary patronage of the President of the Republic of Slovenia Borut Pahor. Na fotografiji, z leve: dr. Stanko Hočevar, akademik prof. dr. Janez Levec, dr. Ingrid Milošev, Borut Pahor, Klara Jamnik, Tatjana Skubic Jamnik, dr. Maja Makovec Brenčič in dr. Zdenko Časar. From left: Dr. Stanko Hočevar, Akad. Prof. Dr. Janez Levec, Dr. Ingrid Milošev, Borut Pahor, Klara Jamnik, Tatjana Skubic Jamnik, Dr. Maja Makovec Brenčič and Dr. Zdenko Časar Od 6. do 0. junija smo organizirali niz dogodkov v okviru Tedna Kemijskega inštituta: V ponedeljek, 6. junija, smo gostili direktorja Evropskega raziskovalnega sveta prof. dr. Jean-Pierra Bourguignona. Obisk smo pripravili v sodelovanju s SBRA Slovenskim gospodarskim in raziskovalnim združenjem iz Bruslja ter z Ministrstvom za znanost, From June 6 to 0 we organised many events in the framework of the Week of the National Institute of Chemistry: On Monday, June 6, we hosted the director of the European Research Council Prof. Dr. Jean-Pierre Bourguignon. The visit was organised in collaboration with the SBRA - Slovenian Business and Research Association in izobraževanje in šport. Na dogodku sta bila prisotna tudi predsednik Vlade Republike Slovenije in ministrica za izobraževanje in šport dr. Maja Makovec Brenčič. Visoki delegaciji smo ob tej priložnosti razkazali Preglov raziskovalni center in vrhunsko raziskovalno opremo. Ob tem smo organizirali tudi tiskovno konferenco. Sledila je delavnica»kako napisati uspešno prijavo za ERC Starting grant«, namenjena mladim znanstvenicam in znanstvenikom, ki se želijo v bližnji prihodnosti prijaviti na enega od projektov Evropskega raziskovalnega sveta. Na delavnici so sodelovali slovenski dobitniki projektov ERC in predstavnik podjetja Bigger Splash, organizirali pa smo jo skupaj z Univerzo v Ljubljani. V torek, 7. junija, je imel znanstveno predavanje eminentni znanstvenik prof. dr. Igor Muševič (Institut Jožef Stefan) z naslovom»liquid Crystal Colloids«. Zvečer je sledil vrhunec prireditev ob tednu inštituta. V veliki dvorani Grand hotela Union v Ljubljani smo priredili osrednjo slovesnost ob 70-letnici,»70 let predani znanosti«, z eminentnimi gosti, med katerimi je bil tudi predsednik države Borut Pahor. Slavnostna govornica na slovesnosti je bila ministrica za izobraževanje, znanost in šport dr. Maja Makovec Brenčič. Na slavnostni akademiji smo posthumno podelili Veliko Preglovo nagrado prof. dr. Janku Jamniku, ki je pustil izjemen pečat na Kemijskem inštitutu in širše kot član in vodja Laboratorija za impedančno spektroskopijo ter v zadnjem obdobju kot direktor Kemijskega inštituta. Preglovo nagrado za izjemne dosežke v zadnjih petih letih sta prejela dr. Ingrid Milošev, znanstvena svetnica na Institutu Jožef Stefan, in dr. Zdenko Časar, zaposlen v farmacevtski družbi Lek, članici skupine Sandoz. Akademik prof. dr. Janez Levec in dr. Stanko Hočevar sta prejela naziv zaslužni raziskovalec Kemijskega inštituta. V sredo, 8. junija, smo organizirali Preglov Brussels and the Ministry of Science, Education and Sport. At the event were also present the Slovenian Prime Minister, Miro Cerar and Minister of Education and Sport, Dr. Maja Makovec Brenčič. On this occasion we showed the Pregl research centre and top-level research equipment to the delegation. We also organised a press conference. This was followed by a workshop How to write a successful application for the ERC Starting grant, intended for young scientists, who want to apply in the near future for one of the projects of the European Research Council. At the workshop there participated Slovenian winners of the ERC projects and the representative of the company Bigger Splash; this was organised with the University of Ljubljana. On Tuesday, June 7, a scientific lecture was held by eminent scientist Prof. Dr. Igor Muševič (Jožef Stefan Institute) with the title Liquid Crystal Colloids. In the evening there followed the peak of events in the week of the Institute. In the great hall of the Grand Hotel Union in Ljubljana a central ceremony was organised, marking 70 years of dedication to science, with guests, among whom was the President of Slovenia, Borut Pahor. The official speaker at the ceremony was the Minister of Education, Science and Sport, Dr. Maja Makovec Brenčič. At the ceremonial academy the Grand Pregl Award was posthumously given to Prof. Dr. Janko Jamnik, who left a great impression on the National Institute of Chemistry and as a member and leader of the Laboratory of Impedance Spectroscopy and recently as director of the National Institute of Chemistry. The Pregl Award for exceptional achievements in the last five years was given to Dr. Ingrid Milošev, scientific counsellor at the Jožef Stefan Institute, and to Dr. Zdenko Časar, employed in the pharmaceutical company Lek, a member of the Sandoz group. Academician Prof. Dr. Janez Levec and Dr. Stanko Hočevar 4 Letno poročilo 206 _ Annual Report 5

9 kolokvij, predavatelj je bil ugledni znanstvenik prof. dr. Joachim Sauer (Humboldtova univerza, Berlin), ki je imel predavanje z naslovom»different C-H Bond Activation Mechanisms on Solid Oxide Catalysts«. Sledila sta pogovor in pogled v zgodovino.»zgodbe iz zgodovine Kemijskega inštituta«so tudi za sedanjo generacijo obudili naši znanstveniki in zaslužni profesorji. V četrtek, 9. junija, se je odvila okrogla miza o komuniciranju znanosti in prisotnosti znanosti v medijih. Naslovili smo jo»kdo potrebuje koga: znanost medije ali mediji znanost?«, gostili smo predstavnike medijev in znanstvenike. Zatem smo pripravili še delavnico za zaposlene Kemijskega inštituta z naslovom»komuniciranje z mediji«, ki sta jo vodili Nataša Briški in Jadranka Jezeršek Turnes. Teden Kemijskega inštituta smo sklenili v petek, 0. junija, ko smo organizirali pogovor s predstavniki znanosti in gospodarstva, na katerem smo pod naslovom»2. stoletje stoletje biotehnologije. Tudi v Sloveniji?«aktualizirali raziskovalni in gospodarski potencial na dinamičnem področju biotehnologije. Poleg vseh dogodkov smo v prazničnem tednu na široko odprli vrata inštituta ter prihodnje generacije navduševali za delo v znanosti in raziskovanju. Vsem zainteresiranim smo želeli približati področja našega delovanja: varstvo okolja in zdravje, materiale in energijo, biotehnologijo, računalniško kemijo, ter vrhunsko raziskovalno opremo, ki jo imamo na inštitutu. V okviru dnevov odprtih vrat smo organizirali tudi dve delavnici, na katerih so si obiskovalci lahko izdelali priročen mikroskop in spoznavali biotehnologijo. Jeseni, 5. oktobra, smo organizirali»jamnikov simpozij za mlade v znanosti«, na katerem smo z osrednjim dogodkom, s serijo predavanj in spremljajočimi aktivnostmi obeležili spomin na prof. dr. Janka Jamnika ter podelili prvo štipendijo Kemijskega inštituta. Prejemnica je raziskovalka Sabina Kolar. Glavni namen doktorske štipendije Kemijskega inštituta je zaposlitev mladega perspektivnega študenta ali študentke, ki bo opravljal/-a raziskovalno both received the title of Researcher Emeritus of the National Institute of Chemistry. On Wednesday, June 8, we organised the Pregl colloquium; the lecturer was renowned scientist Prof. Dr. Joachim Sauer (Humboldt University, Berlin), who spoke on Different C-H Bond Activation Mechanisms on Solid Oxide Catalysts. This was followed by a discussion and a view of the history. Stories from the history of the National Institute of Chemistry were for current generation told by our scientists and professors. On Thursday, June 9, a round table took place about the communication of science and the presence of science in the media. We gave it a title Who needs whom: science the media or the media science?, we hosted representatives of the media and scientists. Then we prepared a workshop for the employees of the National Institute of Chemistry with the title Communication with the media, which was led by Nataša Briški and Jadranka Jezeršek Turnes. The Week of the National Institute of Chemistry was concluded on Friday, June 0, when we organised a discussion with the representatives of science and the economy, where we actualised the research and economic potential in the dynamic field of biotechnology under the title 2st century - century of biotechnology. Also in Slovenia? Besides all these events, we opened widely the doors of the Institute and filled the next generations with enthusiasm for work in science and research. We wanted to bring the fields of our operation to all interested people: protection of environment and health, materials and energy, biotechnology, computational chemistry, and the top-level research equipment that we have at the Institute. Within the framework of these open days we also organised two workshops, where visitors could make a handy microscope and get to know biotechnology. On October 5, we organised the Jamnik symposium for the young in science, where we commemorated Prof. Dr. Janko Jamnik with delo pod vodstvom izvrstnega mentorja, se v okviru raziskovalnega programa inštituta usposabljal/-a kot mladi/-a raziskovalec/-ka in najpozneje v roku štirih let pridobil/-a naziv doktorja/-ice znanosti. Dogodek je s svojim motivacijskim in navdihujočim predavanjem sklenila najuspešnejša slovenska smučarska tekačica vseh časov Petra Majdič. Praznovanje smo zaključili 3. decembra s prednovoletnim sprejemom Kemijskega inštituta ter s podelitvijo Preglovih nagrad za izjemna doktorska dela. Nagradi sta prejela dr. Maxim Zabilskiy in dr. Gregor Strle. Ob tej priložnosti smo predstavili tudi knjigo o sedemdesetih letih delovanja Kemijskega inštituta z naslovom Kemijski inštitut, Širimo meje znanosti, v kateri je zajeta bogata zgodovina delovanja inštituta od ustanovitve do danes. Za pripravo knjige gre velika zahvala zaslužnemu raziskovalcu Kemijskega inštituta profesorju Juretu Zupanu, ki je neusahljiv vir podatkov o kemiji na Slovenskem. Zelo požrtvovalno se je lotil prebiranja arhivskega gradiva in priprave gradiva za knjigo. Zgodba pripoveduje o izzivih institucije, ki so kemiji in drugim znanstvenim disciplinam zagotovili mesto v slovenskem raziskovalnem prostoru, ki danes Kemijskemu inštitutu pripada. the central event, a series of lectures accompanied with activities and where we gave the first scholarship of the National Institute of Chemistry. The recipient of the scholarship is the researcher Sabina Kolar. The main purpose of the National Institute of Chemistry doctoral scholarship is the employment of young perspective students, who will do research work under the leadership of a top-level mentor, who will then be qualified as a young researcher in the framework of the research programme of the Institute and will at the latest in four years gain the title Doctor of Science. The event was concluded with the most successful Slovenian long-distance ski runner of all time Petra Majdič, who gave a motivational and inspiring lecture. The celebration was concluded on December 3 with a holiday reception of the National Institute of Chemistry and with the granting of Pregl awards for exceptional doctoral theses. The awards were given to Dr. Maxim Zabilskiy and Dr. Gregor Strle. On this occasion we also presented the book on seventy years of operation of the National Institute of Chemistry with the title National Institute of Chemistry, We expand the boundaries of science, which captures the rich history of operation of the Institute, from foundation to this day. For the preparation of the book goes a big thanks to the Researcher Emeritus of the National Institute of Chemistry professor Jure Zupan, who is an inexhaustible source of information about chemistry in Slovenia. Unselfishly, he began reading the archive material and preparing notes for the book. The story tells of the challenges of the institution, which ensured a place for chemistry and other scientific disciplines in Slovenian research, and which today belongs to the National Institute of Chemistry. 6 Letno poročilo 206 _ Annual Report 7

10 Foto utrinki Teden Kemijskega inštituta, od 6. do 0. junija 206 Photo impressions he Week of National Institute of Chemistry, 6-0 June 206 Prof. Jure Zupan je imel zanimivo predavanje»zgodbe iz zgodovine Kemijskega inštituta«. Prof. Jure Zupan held an interesting lecture Stories from the history of National Institute of Chemistry. Prof. Gregor Anderluh in prof. Jean-Pierre Bourguignon. Prof. Gregor Anderluh and Prof. Jean-Pierre Bourguignon. Borut Pahor, dr. Maja Makovec Brenčič in prof. Gregor Anderluh na slavnostni akademiji. Borut Pahor, Dr. Maja Makovec Brenčič and Prof. Gregor Anderluh at the ceremonial academy Srečanje dr. Mira Cerarja in prof. Jean-Pierra Bourguignona na Kemijskem inštitutu. Meeting of Dr. Miro Cerar and Prof. Jean-Pierra Bourguignon at the National Institute of Chemistry. Na okrogli mizi»kdo potrebuje koga: znanost medije ali mediji znanost?«smo gostili predstavnike medijev in znanstvenike. At the round table Who needs whom: science the media or the media science? we hosted representatives of the media and scientists. 8 Letno poročilo 206 _ Annual Report 9

11 Foto utrinki»jamnikov simpozij za mlade v znanosti«, 5. oktober 206 Photo impressions Jamnik symposium for the young in science, October 5, 206 V okviru dnevov odprtih vrat smo organizirali delavnici, na katerih so si obiskovalci lahko izdelali priročen mikroskop in spoznavali biotehnologijo. Within the framework of the open days we organised workshops, where visitors could make a handy microscope and got to know biotechnology. Sabina Kolar je prva prejemnica doktorske štipendije Kemijskega inštituta. Sabina Kolar is the first recipient of the doctoral scholarship of the National Institute of Chemistry. Organizirali smo pogovor s predstavniki znanosti in gospodarstva, kjer smo pod naslovom»2. stoletje stoletje biotehnologije. Tudi v Sloveniji?«aktualizirali raziskovalni in gospodarski potencial na dinamičnem področju biotehnologije. We organised a discussion with the representatives of science and the economy, where we actualised the research and economic potential in the dynamic field of biotechnology under the title 2st century - century of biotechnology. Also in Slovenia? Motivacijsko predavanje slovenske smučarske tekačice, dobitnice olimpijskega odličja, Petre Majdič. Motivational lecture from Slovenian ski runner, Olympic medalist, Petra Majdič. 20 Letno poročilo 206 _ Annual Report 2

12 Nova grafična podoba New corporate design V sklopu 70-letnice Kemijskega inštituta smo prenovili tudi celostno grafično podobo. K sodelovanju smo povabili avtorico prvotnega zaščitnega znaka (978)»KI«iz epruvet, Katjo Zelinka Škerlavaj, in Petra Škerlavaja. Av- torja sta inštitutu predlagala sistem celostne grafične podobe. Prvotni znak sta preoblikovala v tri nove avtorske rešitve, ki se uporabljajo v različne namene. As part of the 70 th anniversary of the National Institute of Chemistry, we have also revamped its corporate design. We have invited the author of the original laboratory tube trademark (978) KI, Katja Zelinka Škerlavaj, along with Peter Škerlavaj. The authors have proposed to the institute a corporate design system. The original symbol has been redesigned into three new copyright solutions, used for different purposes. Krovni glavni znak inštituta»atomi«: znak»ki«v negativni izvedbi je umeščen v izbrano strukturo»atomov«detajl s slike avtorja dr. Matica Kisovca»Atomska zgradba«v barvah štirih osnovnih elementov: zemlje, zraka, vode in ognja. The headline - the main symbol of the institute, Atoms : a negative of the symbol KI is implemented into the selected structure of atoms - which is a detail from the image by the author Dr. Matic Kisovec, Atomic structure, in the colours of the four basic elements: earth, air, water and fire. Znak za svečane priložnosti»sejalec«: znak»ki«v prosojni izvedbi je umeščen v sliko»sejalec«slovenskega impresionista Ivana Groharja. Rešitvi je dodan slogan»sejalci znanja«. Znak»Mladi«ponazarja mladostno energijo. Namenjen je promociji dejavnosti inštituta v zvezi z delom z mladimi. The symbol for formal occasions, The sower : a transparent version of the symbol KI implemented into the painting The Sower by Slovenian impressionist painter Ivan Grohar. The solution is also equipped with the slogan Sower of knowledge. The youth symbol illustrates youthful energy. It is aimed at promoting the activities of the institute in relation to working with young people. 22 Letno poročilo 206 _ Annual Report 23

13 70 let predanosti znanosti 70 years of dedication to Science Poudarki iz nagovora ministrice za izobraževanje, znanost in šport dr. Maje Makovec Brenčič, ki je bila slavnostna govornica na akademiji 70 let predani znanosti»kemijski inštitut je najprej raziskovalna institucija, katere namen je krepitev znanja in temeljnih vedenj o procesih in zakonitostih. To dokazuje tudi naraščajoče število objav v najvplivnejših revijah s področja dela inštituta. Brez razvoja bazične znanosti ni napredka. Brez uporabnega raziskovanja in aktivnega prenosa znanja v različnih oblikah pa ne more naprej tudi gospodarstvo, saj je njuno sobivanje ključ za uspeh,«je dejala ministrica.»vlada Republike Slovenije je prepoznala pomen znanja in znanosti in tako je letos prvič po nekaj letih znanosti namenila več sredstev ter ju postavila kot ključni prioriteti delovanja,«je še izpostavila ministrica. Ravno tako je vlada za prioriteto postavila tudi mlade, ki s svojo energijo in drugačnostjo v družbo vnašajo nov veter.»kemijski inštitut uspešno združuje energijo mladih in izkušnje ter vrhunsko znanje starejših generacij. Zaposluje več kot 60 mladih raziskovalcev, ki razvijajo svojo znanstveno kariero pod mentorskim vodstvom priznanih raziskovalk in raziskovalcev,«je dejala ministrica in poudarila, da tam, kjer je orkester uglašen, rezultati ne morejo izostati. Highlights from the speech 70 years of dedication to science of the Minister of Education, Science and Sport, Dr. Maja Makovec Brenčič, who was the official speaker at the academy»the National Institute of Chemistry is firstly a research institution, the purpose of which is to strengthen the knowledge and basic knowing of processes and lawfulness. This is also proven by the growing number of publications in the most influential journals in the work field of the Institute. Without the development of basic science, there is no progress. Without applicable research and active transfer of knowledge in different forms even the economy can t move forward, because their coexistence is the key to success, said the Minister. The Government of the Republic of Slovenia has recognised the importance of knowledge and science and thus after several years of science earmarked more funds and set them as key priorities of operation, expressed the Minister. The government also set the priority for young people, whose energy and otherness bring new wind to society. The National Institute of Chemistry successfully combines the energy of youth and experience and prime knowledge of older generations. It employs more than 60 young researchers, who develop their scientific career under the mentorship of renowned researchers, said the Minister and emphasised that there, where the teamwork is good, the results can t stay away. Ministrica za izobraževanje, znanost in šport dr. Maja Makovec Brenčič na slovesnosti»70 let predani znanosti«ob 70-letnici Kemijskega inštituta, Minister of Education, Science and Sport, Dr. Maja Makovec Brenčič at the ceremony 70 years of dedication to science - the 70th anniversary of the National Institute of Chemistry, Govor direktorja Kemijskega inštituta prof. dr. Gregorja Anderluha Spoštovani predsednik republike Borut Pahor, spoštovana ministrica za izobraževanje, znanost in šport Maja Makovec Brenčič, cenjeni drugi visoki gostje, drage sodelavke in sodelavci Kemijskega inštituta. Kmalu bo minilo pet let, odkar me je pokojni direktor Janko Jamnik pripeljal na Kemijski inštitut. Pritegnili so me visoki cilji, drznost in dinamičnost, ki ste jo takrat izkazovali na Kemijskem inštitutu. Nikoli si nisem mislil, da bom v tej današnji vlogi lahko nagovoril tako cenjen zbor. Dovolite mi zato nekaj misli o inštitutu, kot ga v tem trenutku vidim sam. V letošnjem letu praznujemo sedemdeset let delovanja Kemijskega inštituta. Na slavnostni akademiji smo se zbrali, da se s skromno slovesnostjo spomnimo naših začetkov, Speech of the director of the National Institute of Chemistry Prof. Dr. Gregor Anderluh Dear President of the Republic of Slovenia, Borut Pahor, respectable Minister of Education, Science and Sport, Maja Makovec Brenčič, esteemed guests, dear colleagues of the National Institute of Chemistry. Soon it will be five years since the late director Janko Jamnik brought me to the National Institute of Chemistry. I was drawn by high goals, courage, and dynamism, which you then showed at the National Institute of Chemistry. I never thought that in today s role I could address such a respectable assembly. Allow me therefore to express some thoughts on the Institute, as I see it in this moment. This year we celebrate seventy years of operation of the National Institute of Chemistry. At the ceremonial academy we gathered, so that we remember our beginnings with this humble ceremony, that we announce Researcher Emeritus of the Institute and award the best scientific contributions in the field of chemistry. The annual event, intended to celebrate the prime achievements in the field of chemistry in our country, nicely illustrates the direction in which the Institute developed in the last ten years. The National Institute of Chemistry is a modern, dynamic, and well equipped scientific institution, where fundamental research in the field of chemistry and related sciences is being conducted. We still follow one of the basic purposes of the founders of the Institute, to develop Slovenian industry; we are one of the most active institutions in the field of transferring knowledge to the economy. We take care of our offspring and we educate young scientists, who will continue their careers in different fields of Slo- 24 Letno poročilo 206 _ Annual Report 25

14 razglasimo zaslužne raziskovalce inštituta in nagradimo najboljše znanstvene prispevke na področju kemije. Vsakoletna prireditev, namenjena praznovanju najboljših dosežkov na področju kemije v naši državi, lepo ponazarja smer, v katero se je inštitut razvil v zadnjih desetih letih. Kemijski inštitut je moderna, dinamična in vrhunsko opremljena znanstvena ustanova, na kateri izvajamo temeljne raziskave s področja kemije in sorodnih ved. Še vedno sledimo enemu od osnovnih namenov ustanoviteljev inštituta, razvijati slovensko industrijo, in smo ena od najaktivnejših institucij na področju prenosa znanja v gospodarstvo. Skrbimo za podmladek in vzgajamo mlade znanstvenice in znanstvenike, ki bodo svoje kariere nadaljevali na različnih področjih slovenske družbe. Tudi z drugimi neznanstvenimi dejavnostmi, kot so organizacija kulturnih dogodkov, udeležbe na športnih dogodkih in uspehi naših zaposlenih izven delovnega časa, prispevamo k odličnosti naše družbe in izboljšanju kakovosti življenja v Sloveniji. S svojimi dosežki predvsem sporočamo, da smo si sposobni zastavljati najvišje cilje. Dajemo zgled drugim in prepričani smo, da tudi naša mlada država zmore globalne uspehe. Osnovno poslanstvo Kemijskega inštituta je ustvarjanje novih znanj. To nam uspeva na različnih področjih kemije in objave v najboljših znanstvenih revijah nas potiskajo proti svetovnemu vrhu. Veseli nas lahko vedno boljša vpetost v evropski prostor. Po številu evropskih projektov in prihodkih, povezanih z njimi, je bilo leto 205 rekordno. Zaradi kakovostnega in strokovnega dela zaposlenih na Kemijskem inštitutu smo zaželen partner pri evropskih in drugih mednarodnih projektih. Odprtost in vpetost v mednarodni prostor bo še naprej eno od osnovnih vodil našega delovanja. Vse svoje napore še naprej vlagamo v pridobivanje sodobne raziskovalne opreme. Vrhunski rezultati se lahko dosegajo le z vrhunsko opremljenostjo. Naša oprema nam omogoča raziskovalno delo, industrijskim partnerjem pa hitre in kakovostne analize, ki bi jih drugače morali iskati drugje. Vključeni smo v evropske raziskovalne infrastrukturne projekte, kar nam še povečuje venian society. Even with other non-scientific activities, such as the organisation of cultural events, participation in sporting events and successes of our employees outside of working hours, we contribute to the excellence of our society and improving the quality of life in Slovenia. With our achievements we primarily show that we are capable of pursuing the highest goals. We give an example to others and we are confident, that even our young country is capable of global success. The main mission of the National Institute of Chemistry is the creation of new knowledge. We manage this in different fields of chemistry, the publications in the best scientific journals are pushing us towards the global peak. We are pleased with a better integration in the European space. By the number of European projects and by revenue, associated with them, 205 broke the record. Due to the quality and professional work of the employees at the National Institute of Chemistry we are the preferred partner for European and other international projects. Openness and integration into international space will continue to be one of the basic guidelines of our operation. We continue to invest all our efforts in the acquisition of modern research equipment. Superior results can only be achieved with top-level equipment. Our equipment allows us to do the research work, for industry partners to get quick and quality analyses, which they otherwise would have to search for elsewhere. We are involved in European research infrastructure projects, which increase our recognisability in the world. How do we prove that scientific excellence is the condition for cooperation with industry? We have more and more contacts with foreign companies, who turn to us primarily due to our excellent publications in scientific literature. The condition for effective cooperation with industry is certainly the top-level research, which is our main mission. We are proud of our long-lasting cooperation with Slovenian industry. This is a regular feature of the Institute s operation, every year since its establishment. Long-term cooperation with some Slovenian prepoznavnost v svetovnem merilu. Kako dokazujemo, da je znanstvena odličnost pogoj za sodelovanje z industrijo? Vedno več imamo stikov s tujimi podjetji, ki se obračajo na nas predvsem zaradi naših odličnih objav v znanstveni literaturi. Pogoj za učinkovito sodelovanje z industrijo je zagotovo vrhunsko raziskovanje, kar je naše osnovno poslanstvo. Ponosni smo na dolgoletno sodelovanje s slovensko industrijo. To je stalnica delovanja inštituta, vsa leta od ustanovitve. Dolgoročna sodelovanja z nekaterimi slovenskimi podjetji so posledica visoke stopnje zaupanja in res nas veseli, da ste predstavniki podjetij, s katerimi sodelujemo, danes z nami. Sodelujemo s podjetji, ki so med najuspešnejšimi v Sloveniji in pomembni igralci na globalnem trgu. Veselimo se vaših uspehov in ponosni smo, da s svojim znanjem, kakovostjo opravljenih storitev in hitro odzivnostjo tudi malo prispevamo k vašim uspehom. Še naprej se bomo zavzemali za odgovorno sodelovanje, s svojimi pobudami in aktivnostmi pa bomo skrbeli, da bo trdnih mostov med znanostjo in gospodarstvom čim več. Ponosni smo, da se za delo na našem inštitutu odločajo najbolj bistre študentke in študenti slovenskih univerz. V naših laboratorijih pridobivajo izkušnje za delo, ki jih čaka v akademskih institucijah po zaključku doktoratov. Tesna povezanost z industrijo omogoča tudi vpogled v razmišljanje in potrebe industrijskih partnerjev, tako je prehod mladih kadrov v industrijsko okolje čim bolj gladek. Slovenska industrija zaradi svojega intenzivnega razvoja v zadnjih letih potrebuje vrhunsko izobražen kader s področij delovanja Kemijskega inštituta. Mladi tudi vedno intenzivneje iščejo priložnosti za razvoj študijske kariere v tujini. To pomeni za nas še dodaten izziv pri iskanju najkakovostnejših kandidatov za doktorska dela, ki se izvajajo na inštitutu. Kemijski inštitut je ustanova, ki deluje proaktivno. Zato smo razpisali štipendijo za opravljanje doktorskega dela v enem od odsekov Kemijskega inštituta. Štipendijo smo poimenovali po direktorju prof. dr. Janku Jamniku, ki je bil velik zagovornik vključenosti mladih v znanost. Na tak način želimo vsaj malo omejiti odhod companies is the result of high level trust and we are really pleased that the representatives of the companies, with which we cooperate, are with us today. We cooperate with companies that are among the most successful in Slovenia and are important players in the global market. We look forward to your success and we are proud, that with our knowledge, quality of service, and rapid response we slightly contribute to your success. We will continue to strive for responsible cooperation, with our initiatives and activities we will work to build many solid bridges between science and economy. We are proud, that the brightest students of Slovenian universities are choosing to work at our Institute. In our laboratories they are gaining experience for work that awaits them in academic institutions after the completion of their doctorates. The close connection with industry also provides insight into thinking and the needs of industrial partners, therefore the transition of young personnel into an industrial environment runs as smooth as possible. Slovenian industry needs, because of its intensive development in recent years, highly educated staff from the fields of operation of the National Institute of Chemistry. Young people are looking more and more intensely for opportunities to develop their study career abroad. This means for us an additional challenge in finding top-quality candidates for the doctoral thesis carried out at the Institute. National Institute of Chemistry is an institution that works proactive. We have therefore issued a scholarship for doing the doctor thesis in one of the sections of the National Institute of Chemistry. The scholarship was named after the director Prof. Dr. Janko Jamnik, who was a big defender of the inclusion of young people into science. That way we want to limit the leaving of the best staff to foreign countries and make sure, that the best young scientists can fully exercise their potential in the fields of science and research in Slovenian space. Allow me to conclude my speech by thanking those, who provide us with frameworks of operation at the national level. Sometimes we 26 Letno poročilo 206 _ Annual Report 27

15 najboljših kadrov v tujino in zagotoviti, da bodo mlade odlične znanstvenice in znanstveniki v slovenskem prostoru lahko polno udejanjali svoje potenciale na področju znanosti in raziskovanja. Dovolite mi, da se na koncu zahvalim še tistim, ki nam zagotavljajo okvire delovanja na državnem nivoju. Včasih smo nanje tudi malo hudi, kdaj upravičeno, včasih tudi neupravičeno. Res ostaja odprtih nekaj izzivov, kot sta zagotovitev ustreznega stabilnega in dolgoročnega financiranja naših dejavnosti in vzpostavitev ustreznih mehanizmov sodelovanja za povezovanje z gospodarstvom. A prepričan sem, da jih bomo s skupnimi močmi rešili v bližnji prihodnosti. Zavedati se moramo, da vsi sedimo na isti ladji in le skupni interesi in sodelovanje nam bodo zagotovili hitro plutje v pravi smeri. Zahvalil bi se rad zaposlenim na resornih ministrstvih, predvsem na Ministrstvu za izobraževanje, znanost in šport, Javni agenciji za raziskovalno dejavnost Republike Slovenije, in drugih ministrstvih in državnih organih. Brez vas in vaših prispevkov mnogih projektov ne bi mogli izpeljati. Vaš prispevek je tudi del uspehov Kemijskega inštituta. Do konca leta nas v počastitev tako častitljive obletnice čaka še nekaj dogodkov. Organizirali bomo še enodnevni Jamnikov simpozij za mlade znanstvenike, ki ga bomo namenili tistim mladim, ki so radovedni, ki jih zanimajo znanstveni izzivi, ki bi radi kariero začeli kot raziskovalci. Kot dokazujemo na Kemijskem inštitutu, je tudi v Sloveniji mogoče opravljati vrhunske raziskave, in mladim bi radi pokazali primere dobre prakse z inštituta in jih s privlačnimi govorci z drugih področij motivirali za postavljanje najvišjih ciljev. Leto bomo zaključili s tradicionalno podelitvijo Preglovih nagrad za izjemno doktorsko delo, predstavili pa bomo tudi knjigo o 70 letih delovanja Kemijskega inštituta. Ob koncu bi se rad iskreno zahvalil vsem zaposlenim, nekdanjim zaposlenim in upokojenim sodelavkam in sodelavcem Kemijskega inštituta. Brez vašega trdega in požrtvovalnega dela, brez vaše vneme za znanost in raziskovanje ne bi nanizali vseh teh uspehov. Po- vabim vas, da čas do konca leta izkoristimo za razmislek o naših uspehih. O tem, na kakšen način smo jih dosegli. O tem, na kakšen način delujemo in kaj moramo spremeniti, da bomo še uspešnejši na svetovni ravni. Vodijo naj nas misli prvega direktorja inštituta prof. dr. Maksa Samca:»Pogoj za delo na našem inštitutu je: resna znanstvenost, absolutno zanesljivo eksaktno eksperimentiranje in dobra kolegialnost.«naj bo to osnova za naše skupno delovanje v letih, ki prihajajo. are also angry with them, sometimes rightly, sometimes wrongly. A few challenges really remain open, such as the ensuring of adequate stable and long-term funding of our activities and the establishment of suitable mechanisms of cooperation for the connection with the economy. But I am sure that we can solve them in the near future by working together. We must be aware that we all sit in the same boat and that only shared interests and cooperation will ensure us with fast sailing in the right direction. I would like to thank the employees at the line ministries, especially at Ministry of Education, Science and Sport, at Slovenian Research Agency, and at other ministries and state bodies. Without you and your contributions many projects could not be carried out. Your contribution is also a part of the success of the National Institute of Chemistry. Through the year we will celebrate such a respectable anniversary with several events. We will organise a one-day Jamnik symposium for young scientists, which will be intended for young people, who are curious, who are interested in scientific challenges, who want to start their career as researchers. As we prove at the National Institute of Chemistry, top-level research can be conducted also in Slovenia, we want to show the youth the examples of good practice from the Institute, and we want to motivate them to pursue the highest goals with attractive speakers from other fields. The year will be concluded with the traditional granting of Pregl awards for exceptional doctoral theses, and the book about 70 years of operation of the National Institute of Chemistry will be presented. At the end I would like to express my sincere gratitude to all employees, former employees and retired colleagues of the National Institute of Chemistry. Without your hard and unselfish work, without your enthusiasm for science and research we would not have enjoyed a string of all these successes. I invite you to take the opportunity until the end of the year to reflect on our successes. About how we have achieved them. About how we operate and what we must change to be even more successful on the global scale. Let us be guided by the thoughts of the first director of the Institute Prof. Dr. Maks Samec: Condition for work at our Institute is: serious science, absolutely reliable exact experimentation and good fellowship. Let this be the basis for our operation in years to come. Direktor Kemijskega inštituta prof. dr. Gregor Anderluh na slovesnosti»70 let predani znanosti«ob 70-letnici Kemijskega inštituta, Director of the National Institute of Chemistry Prof. Dr. Gregor Anderluh at the ceremony 70 years of dedication to science at the 70th anniversary of the National Institute of Chemistry, Letno poročilo 206 _ Annual Report 29

16 Knjiga Kemijski inštitut širimo meje znanosti The book Kemijski inštitut širimo meje znanosti (National Institute of Chemistry - expanding the boundaries of science) Leta 206 je Kemijski inštitut praznoval visok jubilej in v počastitev priredil številne dogodke. Ob podelitvi Preglovih nagrad, ki jih Kemijski inštitut podeli vsako leto, je bila predstavljena tudi publikacija Kemijski inštitut širimo meje znanosti v uredništvu Jureta Zupana in Gregorja Anderluha. Obsežna publikacija na več kot 350 straneh podaja najpomembnejše dogodke iz zgodovine inštituta in večino znanstvenoraziskovalnih dosežkov sodelavcev inštituta v vseh letih njegovega obstoja. Uvodni besedi direktorja dr. Gregorja Anderluha sledi poglavje o zgodovinskem razvoju Kemijskega inštituta od ustanovitve do danes. Poglavje podaja tudi kratek pregled razvoja kemije na Slovenskem. V zvezi s Kemijskim inštitutom so posebej poudarjene vloge prof. Maksa Samca, dr. Marte Blinc in prof. Dušana Hadžija. Prof. Samec je inštitut ustanovil in ga vodil skoraj 40 let, dr. Marta Blinc je kot izjemno široko razgledana raziskovalka že pred drugo svetovno vojno prva razširila dejavnost inštituta na področja zunaj kemije na mikrobiologijo in biotehnologijo in s tem dala inštitutu interdisciplinarni značaj. Prof. Dušan Hadži pa je z velikim uvidom v prihodnji razvoj raziskav na inštitutu uvedel povsem nove načine in tehnike raziskovalnega dela. Z njegovo pomočjo so se razvile metode infrardeče spektrometrije, računalniškomatematične raziskave in področje jedrske magnetne resonance. Njegova zasluga je tudi vzpostavitev visokih standardov, ki so jih raziskovalci inštituta morali upoštevati pri objavah v znanstvenih revijah. Zgodovinskemu pregledu sledi pregled pomembnih industrijskorazvojnih raziskav ter podeljenih patentov, ki jih je opravil oz. razvil Kemijski inštitut. V najobsežnejšem poglavju so poleg delovanja predstavljeni tudi raziskovalci vseh petnajstih raziskovalnih odsekov in centrov ter skupnih služb. Vsak raziskovalni odsek na osmih straneh predstavlja svoja In 206, the National Institute of Chemistry celebrated a respectable anniversary, and for this purpose many events were organised. Alongside the Pregl Awards, which are every year awarded by the National Institute of Chemistry, the publication of Kemijski inštitut širimo meje znanosti (National Institute of Chemistry - expanding the boundaries of science), edited by Jure Zupan and Gregor Anderluh, was presented. The extensive publication, more than 350 pages, offers the most important events in the history of the Institute and the majority of the scientific-research accomplishments of Institute employees from all the years of its existence. The prefatory note of the director Dr. Gregor Anderluh is followed by a chapter about the historical development of the National Institute of Chemistry from its establishment to this day. This chapter offers a brief overview of the development of chemistry in Slovenian space. With reference to the National Institute of Chemistry the roles of Prof. Maks Samec, Dr. Marta Blinc, and Prof. Dušan Hadži are especially emphasised. Prof. Samec established and led the Institute for almost 40 years, Dr. Marta Blinc, an extremely well versed researcher even before the Second World War, first spread the Institutes activities to fields outside of chemistry - microbiology and biotechnology - and thus gave the Institute its interdisciplinary character. Prof. Dušan Hadži introduced, with great insight into the future research development of the Institute, new ways and techniques of the research work. With his help the methods of infra-red spectrometry, computer-mathematical research, and the field of nuclear magnetic resonance were developed. Thanks to him also, high standards were established, which the Institute researchers had to take into account in the publications in scientific journals. The historical review is followed by a review of Prof. Jure Zupan, sourednik knjige Kemijski inštitut, širimo meje znanosti. Prof. Jure Zupan, coeditor of the book Kemijski inštitut, širimo meje znanosti. najnovejša spoznanja, dosežke in usmeritve raziskav za nadaljnje delo, predstavljen pa je tudi z desetimi najpomembnejšimi publikacijami zadnjih let. V drugem delu monografije so opisani rezultati specifičnih dejavnosti sodelavcev inštituta. Zanimiv je tudi opis galerijske dejavnosti, ki poudarja sodelovanje znanosti in kulture v vsakodnevnem življenju raziskovalcev inštituta. Opisu galerijske dejavnosti sledijo življenjepisi s slikami 32 raziskovalcev (vseh častnih članov in zaslužnih raziskovalcev, državnih nagrajencev ter direktorjev inštituta). Zbornik zaključuje obsežen statistični pregled najpomembnejših in najbolj citiranih del, vseh prejemnikov državnih in institucionalnih nagrad ter seznam vseh 390 doktorski del, ki so bila opravljena na Kemijskem inštitutu. Prav na koncu najdemo še obsežen indeks imen raziskovalcev in drugih pomembnih oseb, omenjenih v monografiji. important industrial-developmental research and granted patents, carried out or developed by the National Institute of Chemistry. In the most extensive chapter there are also introduced, next to the operation, the researchers of all 5 research sections, centres, and joint services. Each research section presents on eight pages its newest findings, achievements, and research directions for further work; each section is also presented by the ten most important publications in recent years. In the second part of the monograph the results of specific activities of the Institute employees are described. The description of the gallery activity is also interesting, which emphasises the cooperation of science and culture in everyday life of the Institute researchers. The description of the gallery activity is followed by biographies with pictures of 32 researchers (honorary members and Researchers Emeritus, national prize-winners, and the directors of the Institute). The book is completed by an extensive review of the most important and most cited works, of all recipients of national and institutional awards and the list of all 390 doctoral works, which were completed at the National Institute of Chemistry. At the very end we can find an extensive index of names of the researchers and other important persons mentioned in the book. 30 Letno poročilo 206 _ Annual Report 3

17 Presoja Mednarodnega znanstvenega svetovalnega odbora Review of the International Scientific Advisory Board. 3. junij 206, Kemijski inštitut Kemijski inštitut svojo odličnost gradi tudi na vrhunskih raziskavah in vpetosti v mednarodno okolje. Želimo izvajati raziskave aktualnih tematik in se tako postaviti ob bok svetovnim akademskim institucijam, zato smo na inštitut povabili Mednarodni znanstveni svetovalni obor (MZSO), ki je med. in 3. junijem izvedel presojo posameznih odsekov in inštituta kot celote. MZSO sestavljajo vrhunski evropski znanstveniki s področij ved o življenju, raziskav materialov, kemijskega inženirstva in teoretične kemije, to so: prof. dr. Michele Parrinello (ETH Zürich), prof. dr. Jernej Ule (University College London), prof. dr. Eva Kondorosi (CNRS France June -3, 206, National Institute of Chemistry The National Institute of Chemistry (NIC) builds its excellence on top-level research and its integration in an international environment. We want to conduct research on current topics and thus want to stand side by side with the world s academic institutions; therefore we invited the International Scientific Advisory Board (ISAB), which between the st and 3rd June conducted a review of several sections and of the Institute as a whole. ISAB consists of top-level European scientists in the fields of life sciences, materials research, chemical engineering, and theoretical chemistry: Prof. and Hungarian Academy of Sciences), prof. dr. Javier Pérez-Ramírez (ETH Zürich) in prof. dr. Michael Grätzel (Ecole Polytechnique Fédérale de Lausanne). Člani MZSO so se v dveh dneh podrobno seznanili z delovanjem inštituta in vsebinskimi raziskavami v posameznih odsekih. Rezultate presoje bomo uporabili pri pripravi strategij in organizaciji dela v prihodnjih nekaj letih. Dr. Michele Parrinello (ETH Zürich), Prof. Dr. Jernej Ule (University College London), Prof. Dr. Eva Kondorosi (CNRS France and Hungarian Academy of Sciences), Prof. Dr. Javier Pérez-Ramírez (ETH Zürich), and Prof. Dr. Michael Grätzel (Ecole Polytechnique Fédérale de Lausanne). Members of ISAB had two days to get fully acquainted with the functioning of the Institute and with the research contents of individual sections. The results of the review will be used in the preparation of strategies and organisation of work in the next few years. Člani MZSO z direktorjem Kemijskega inštituta in predsednikom Znanstvenega sveta Kemijskega inštituta. Od leve proti desni: prof. dr. Gregor Anderluh (direktor Kemijskega inštituta), prof. dr. Michele Parrinello, prof. dr. Jernej Ule, prof. dr. Eva Kondorosi, prof. dr. Javier Pérez-Ramírez, prof. dr. Michael Grätzel in prof. dr. Robert Dominko (predsednik Znanstvenega sveta). Members of ISAB with the director of the National Institute of Chemistry and the president of the Scientific Council of the National Institute of Chemistry. From left to right: Prof. Dr. Gregor Anderluh (director of National Institute of Chemistry), Prof. Dr. Michele Parrinello (ETH Zürich), Prof. Dr. Jernej Ule (University College London), Prof. Dr. Eva Kondorosi (CNRS France and Hungarian Academy of Sciences), Prof. Dr. Javier Pérez- Ramírez (ETH Zürich), Prof. Dr. Michael Grätzel (Ecole Polytechnique Fédérale de Lausanne), and Prof. Dr. Robert Dominko (president of the Scientific Council of National Institute of Chemistry). 32 Letno poročilo 206 _ Annual Report 33

18 Razstavna dejavnost na Kemijskem Inštitutu Exhibition activity at the National Institute of Chemistry The National Institute of Chemistry has had in its history a very eventful and interesting exhibition activity, which plays an important role in the history of Slovenian exhibition grounds. At the National Institute of Chemistry there were exhibited very important Slovenian artists. Since it came to the deficit of the exhibition activity of the National Institute of Chemistry in a few years time by the time of the construction of the new building of the Pregl Research Centre -, the setting up of new works of art in the Pregl Research Centre and the successful media presentation of these cultural efforts led to the idea of restoring the exhibition activity also in the old hall of the National Institute of Chemistry. The first event, from April 5. to May , was the exhibition of Marijan Skumaslikarja, ki je s svojim opusom dodobra zaznamoval slikarstvo sedemdesetih, še posebej pa osemdesetih let 20. stoletja. Gre za slikarja, ki je delal kot novinar v redakciji črne kronike pri časopisu Delo in je s perspektive takratnih dogodkov, ki so pristali v črni kroniki, odslikal marsikateri vidik sicer na prvi pogled neproblematične socialistične družbe. Pri tem je v samem slikarskem smislu odpiral figuraliko na način, ki je sovpadal s tako imenovano»novo podobo«ter v samih potezah, barvnih nanosih in kontrastiranju vnašal v takratno slovensko slikarstvo nek vidik ekspresivnosti in pomenske zgoščenosti. Motivi boksa, pocestnic, krvi ob nesrečah, čudaških praks nekakšnih temnih figur našega nevidnega vsakdana so se po drugi strani uravnotežili z zanimivimi pokrajinskimi slikami, pri katerih je skoraj z nekakšnim humorjem postavljal sredi polj in gozdov znake povsem civilizirane, počlovečene krajine. Z naslednjo razstavo, od do , smo se odločili, da bomo skušali iskati neko vc, academically trained painter, the work of whom thoroughly permeated the painting of the Seventies, and especially the Eighties. He was a painter, who worked as a journalist in the editorial office of the crime section of the newspaper Delo and from the perspective of events that landed in the crime section, portrayed various aspects of - at the first glance an unproblematic socialist society. He opened figural art in a painter s meaning, in a way, which coincided with the so-called new image ; he brought to Slovenian painting some aspect of expressivity and semantic density with lines, colour washes, and contrast. Motifs of boxing, prostitutes, bloody accidents, the weird practice of some dark figures of our invisible everyday life, all balanced with interesting landscape paintings, which he put, with some kind of humour, in the middle of fields and forests the signs of a fully civilised, humanised landscape. With the next exhibition, from May 3. to September , we decided that we would Kemijski inštitut je imel v svoji zgodovini že zelo razgibano in zelo zanimivo razstavno dejavnost, ki ima pomembno mesto v umetnostni zgodovini slovenskih razstavišč. Na Kemijskem inštitutu so namreč razstavljali zelo pomembni slovenski umetniki in v tem razstavišču se je zvrstilo veliko zelo kakovostnih razstav. Ker je v nekajletnem obdobju, nekako do gradnje nove stavbe Preglovega raziskovalnega centra, prišlo do izpada razstavne dejavnosti Kemijskega inštituta, je po postavitvi novih umetniških del v Preglovem raziskovalnem centru in uspešni medijski predstavitvi teh kulturnih prizadevanj prišlo do zamisli o ponovni vzpostavitvi razstavne dejavnosti tudi v stari avli Kemijskega inštituta. Prvi dogodek, od do , je bila razstava Marijana Skumavca, akademskega 2 34 Letno poročilo 206 _ Annual Report 35

19 4 try to look for a continuation of the aspect that we highlighted with the landscape paintings of Marjan Skumavc. We invited the painter Žiga Okorn and exhibited his latest works, where different landscapes appear, which are pretty unusual for Slovenian painting. These are the works from the cycle Refugij, also the title of the exhibition, which refers on the one hand indirectly and on the other very expressively to our everyday political life within the great European refugee crisis, while the paintings themselves bring a completely new, very unusual painting experience. In these paintings none of the human, cultural, civilisational aspects appear, which could end up in these special landscapes as a reminder or a sign that there is somewhere something reflected because of the work of human hands. These are the works of medium and small format, where only the sea with the sky appears. The only signs that this is something that has to do with man are the brush strokes and the form of the painting, which is of course intended for viewing. At the next exhibition, Eva Petrič, from September 22. to December , we made some changes. We decided for a different format of the print of the catalogue, because it turned out, that with the reduction of the catalogue format and a different design we give the most essential information about the exhibitor and their exhibited works, therefore the catalogue becomes an informative booklet, some sort of instruction, where the reader/ visitor gets the key to the insight of essential dimensions and semantic aspects of art from a particular author. In this exhibition we also for the first time established a more direct relationship between art and science, which we will certainly try to do as often as possible in the future. Eva Petrič, as a psychologist and artist, pondered the chemistry of feelings and emotions and therefore created in her complex image work some sort of Periodic system of emotions and a list of ph values, into which she included emotional states, demonstrated with dozens of photographic works, where mainly shadows appear. nadaljevanje vidika, ki smo ga izpostavili s krajinskimi deli Marjana Skumavca. Povabili smo slikarja Žigo Okorna, in sicer smo razstavili njegova zadnja dela, v katerih se pojavlja neka drugačna krajina, precej nenavadna za slovensko slikarstvo. Gre za dela iz cikla»refugij«, to je bil tudi naslov razstave, ki se po eni strani posredno in hkrati zelo povedno nanaša na naš politični vsakdan ob veliki evropski krizi z begunci (angl. refugees ), hkrati pa seveda sama slikarska dela prinašajo neko popolnoma novo, zelo nenavadno slikarsko izkušnjo. V teh slikah namreč ne nastopa prav noben vidik človeškega, kulturnega, civilizacijskega, kar bi se v teh posebnih»krajinah«lahko znašlo kot ostanek ali znak, da tam nekje nekaj vseeno je odslikano zato, ker je delo človeških rok. Gre namreč za dela srednjega in manjšega formata, v katerih nastopa zgolj in samo morje z nebom. Edini znak, da gre za nekaj, kar je povezano s človekom, so poteze čopiča in sama forma»slike«, ki je seveda namenjena gledanju. Pri naslednji razstavi, Eva Petrič, od do , smo vzpostavili nekaj sprememb, in sicer smo se odločili za drugačen format pri tisku kataloga, saj se je izkazalo, da z zmanjšanjem formata kataloga in malo drugačno zasnovo podamo najbolj bistvene informacije o razstavljavcu in njegovih razstavljenih delih, s čimer katalog postane informativna knjižica, nekakšno»navodilo«, s katerim bralec/gledalec dobi»ključ«za vpogled v bistvene razsežnosti in pomenske vidike umetnosti določenega avtorja. Prav tako smo pri tej razstavi prvič vzpostavili nek neposrednejši odnos/razmerje med umetnostjo in znanostjo, kar bomo vsekakor v prihodnosti skušali narediti čim pogosteje. Eva Petrič je namreč kot psihologinja in umetnica razmišljala o»kemiji«občutenj in čustev ter zato v svojem kompleksnem podobotvorju ustvarila nekakšen»periodni sistem«čustev in ravno tako tabelo ph-vrednosti, v katero je vključila čustvena stanja, prikazana z več desetimi fotografskimi deli, v katerih nastopajo predvsem sence. Z razstavo fotografa dr. Jerneja Stareta, od do , smo v razstavno In the exhibition of Dr. Jernej Stare, from December to January , we included the employees of the National Institute of Chemistry who engage in artistic activity, we also combined the exhibition with the presentation of the history of the National Institute of Chemistry, which was connected to the new book about the 70 years of the Institute. This exhibition brought the idea that the gallery should be mainly intended, around New Year and festive December, for the presentation of interesting authorial, artistic activities of the employees of the National Institute of Chemistry. In the next period of time we will definitely try to maintain a high level of study exhibitions that will be artistic and most innovative in content and that will be in one way or another connected with scientific-technological activity of the Institute, because the named exhibitions take place also to show the mutual synergy in the sense to encourage creativity. For, both science and art are in this point most essentially connected. Jiŕi Kočica 36 Letno poročilo 206 _ Annual Report 37

20 dejavnost vključili zaposlene na Kemijskem inštitutu, ki se ukvarjajo z umetniško dejavnostjo, hkrati pa smo razstavo kombinirali s predstavitvijo zgodovine Kemijskega inštituta, ki je bila povezana z novo knjigo o sedemdesetletnici inštituta. Ta razstava je prinesla zamisel o tem, da se okrog novega leta v prazničnem decembru galerija nameni predvsem predstavitvi zanimivih avtorskih, umetniških dejavnosti zaposlenih na Kemijskem inštitutu. V naslednjem obdobju bomo vsekakor skušali vzdrževati visoko raven študijskih razstav, ki bodo likovno, umetniško in vsebinsko čim bolj inovativne in ki bodo na ta ali oni način čim bolj povezane z znanstveno-tehnološko dejavnostjo samega inštituta, saj gre pri omenjenih razstavah tudi za to, da pride do neke medsebojne sinergije v smislu spodbujanja ustvarjalnosti. Kajti tako znanost kot umetnost sta v tej točki vsekakor najbolj bistveno povezani Obala Lovrecica, Marjan Skumavc Fotografija z razstave, Jernej Stare Gray Matter, periodic table of emotions, Eva Petrič Brez naslova, Žiga Okorn The Coast of Lovrecica, by Marjan Skumavc Photo from the exhibition, by Jernej Stare Gray Matter, periodic table of emotions, by Eva Petrič Untitled, by Žiga Okorn Jiŕi Kočica 3 Periodic Table of Shadowed Emotions S272EsH5aWorW M S272 EsH5aWorW M : Shadows Emotions + sun Hours 5 + absolute Weight 0 + relative Weight varies + Meanings infinite The Sun Hours Happy Loving Interested Confident Doubtful Irritated Angry Afraid Sad Shamed Hurt day outstretched day stretched day flat day compressing day compressed Incubating Emotions 38 Letno poročilo 206 _ Annual Report Apathy Anxiety Contempt Envy Intolerance Idealism

21 poslovanje sodelovanje izobraževanje business operation international cooperation education Letno poročilo 206 _ Annual Report 4

22 Vodstvo inštituta Institute Management Vodstvo / Management Direktor / Director prof. dr. Gregor Anderluh Pomočnika direktorja / Assistant directors Tanja Šarabon Mitja Čermelj Člani upravnega odbora / Board of Governors Predsednik / President dr. Aleš Mihelič Podpredsednik / Vice-president dr. Gorazd Hribar prof. dr. Janvit Golob dr. Andrej Horvat prof. dr. Slobodan Žumer Člani znanstvenega sveta / Scientific Council Predsednik / President prof. dr. Robert Dominko Podpredsednik / Vice-president prof. dr. Simona Golič Grdadolnik prof. dr. Gregor Anderluh (član po funkciji / Member by Function) prof. dr. Miran Gaberšček prof. dr. Roman Jerala prof. dr. Janez Mavri prof. dr. Franci Merzel prof. dr. Janez Plavec prof. dr. Nataša Zabukovec Logar dr. Ema Žagar Častni člani / Honorary Members Prof. dr. Tihomir NOVAKOV, od ( ) Prof. Igor BELIČ, od (99-997) Dr. Marta BLINC, od ( ) Prof. Bojan DRŽAJ, od (98-998) Dr. Jože FEGEŠ, od ( ) Prof. Vera JOHANIDES, od ( ) Prof. Roman MODIC od (9-2003) Prof. Robert M. LAFFERTY, od ( ) Prof. dr. Walter STEINER, od Prof. Desire L. MASSART, od ( ) Prof. dr. John R. HELLIWELL, od Prof. dr. Joachim MAIER, od Akademik prof. dr. Dušan HADŽI, od Prof. dr. Joseph WANG, od Prof. dr. Milan RANDIĆ, od Zaslužni raziskovalci Kemijskega inštituta / Researcher Emeritus of the National Institute of Chemistry akad. prof. dr. Dušan Hadži ( ) prof. dr. Jure Zupan ( ) dr. Božidar Ogorevc ( ) prof. dr. Venčeslav Kaučič ( ) prof. dr. Boris Orel ( ) dr. Stanko Hočevar ( ) akad. prof. dr. Janez Levec ( ) 42 Letno poročilo 206 _ Annual Report 43

23 Pregled poslovanja inštituta Overview of Institute Operations Inštitut je leto 206 zaključil s presežkom prihodkov nad odhodki po davkih v višini , upoštevajoč presežek prihodkov iz prejšnjih let, namenjen pokritju odhodkov obračunskega obdobja, ki so znašali Dosežen poslovni rezultat inštituta je predvsem posledica presežka prihodkov nad odhodki iz naslova prodaje blaga in storitev na trgu, ki je znašal , z upoštevanjem davka od dohodkov pravnih oseb. Inštitut je v letu 206 realiziral celotne prihodke v višini , brez upoštevanja presežka prihodkov iz prejšnjih let, namenjenih pokritju odhodkov obračunskega obdobja, kar predstavlja nominalno 5-odstotno povečanje glede na leto 205, predvsem na račun EU projektov. Inštitut je v letu 206 realiziral celotne odhodke v višini , kar v primerjavi z letom 205 predstavlja 4-odstotno povečanje. Gibanje stroškov sledi realiziranim prihodkom oziroma celo zaostaja, tako da je bil rezultat poslovanja v letu 206 boljši kot leto prej. The Institute ended 206 with a surplus of revenue over expenditure after taxes in the amount of 99,584, considering the surplus of revenue from previous years, which was intended for covering the expenses of the report period amounting to the sum of 42,6. The reached business result of the Institute is mainly the consequence of the surplus of revenue over expenditure from the sale of goods and services on the market in the amount of 95,567, considering the income tax of legal persons. The Institute realised in 206 total revenue in the amount of 5,332,036, excluding the surplus of revenue from previous years, intended for covering the expenses of the report period, which represents a nominal increase of 5%, compared to 205, mainly due to EU projects. The Institute realised in 206 total expenditure in the amount of 5,264,624, which represents 4% increase compared to 205. The motion of costs follows the realised revenue or even stays behind, so that the business result in 206 was even better than a year before. Prihodki v Struktura 206 (%) Indeks 206/205 Revenue in Structure 206 (%) Index 206/205 Raziskovalni programi Research programmes Infrastrukturni programi Infrastructure programmes Raziskovalni projekti Research projects Sofinanciranje aplikativnih projektov Co-financing of applied projects Ustanoviteljske obveznosti Institutional obligations Mladi raziskovalci Young researchers Domači trg Home market Tuji trg Foreign market Drugi prihodki Other revenue Skupaj prihodki Total revenue Odhodki v Struktura 206 (%) Indeks 206/205 Expenses in Structure 206 (%) Index 206/205 Stroški materiala Material expenses Stroški storitev Service expenses Amortizacija Amortisation Stroški dela Work expenses Drugi odhodki Other expenses Skupaj odhodki Total expenses Rezultat poslovanja Business result Letno poročilo 206 _ Annual Report 45

24 Pridobljeni in zaključeni raziskovalni projekti V letu 206 je inštitut začel sodelovati pri izvajanju 9 projektov ARRS (temeljni in podoktorski projekti z začetkom.. 206, aplikativni z začetkom ): 5 temeljnih projektov (sedem kot nosilec) z ocenjenimi prihodki na letni ravni , dva nova podoktorska projekta s prihodki na letni ravni v višini 8.4, dva aplikativna projekta (eden kot nosilec) s prihodki na letni ravni V letu 206 se je zaključilo 4 projektov (pri desetih je bil KI nosilec, pri štirih pa sodelujoči). Vrednost zaključenih projektov je v letu 206 znašala KI je v letu 206 sodeloval v 5 raziskovalnih projektih, in sicer v 27 projektih kot nosilec in v 24 projektih kot sodelujoči. KI je bil na razpisu ARRS Javni razpis za (so)financiranje raziskovalnih projektov za leto 206 uspešen pri 9 projektih, in sicer pri desetih kot nosilec in pri devetih kot sodelujoči. Novi temeljni in podoktorski projekti so se začeli izvajati.. 206, novi aplikativni projekti pa V letu 206 se je zaključilo 4 projektov (pri desetih je bil KI nosilec, pri štirih pa sodelujoči). KI izvaja tudi dva prilagojena projekta ARRS, ki se sofinancirata v okviru komplementarne sheme za prijave projektov na razpise Evropskega raziskovalnega sveta v letu 204. Projekta trajata tri oz. štiri leta. KI je vodil 4 raziskovalnih programov in infrastrukturni program. KI je sodeloval v dveh projektih 7. okvirnega programa EU (Eurolis, Necso). V letu 206 so prihodki iz naslova projektov 7. okvirnega programa znašali Oba projekta sta se zaključila leta 206. KI je v letu 206 sodeloval pri devetih projektih iz Obzorja 2020 (MefCO2, HELIS, NANORESTART, NextBioPharm, TOLL- Obtained and completed research projects In 206 the Institute began with the cooperation of execution of 9 SRA projects (basic and post-doctoral projects, starting from..206, applied at the beginning of.3.206): 5 basic projects (seven as a carrier) with estimated revenue on annual basis 696,395; two new post-doctoral projects with revenue on annual basis in the amount of 8,4; two applied projects (one as a carrier) with revenue on annual basis in the amount of 70,25. 4 projects were completed in 206 (NIC was a carrier in ten, in four a participant). The value of finished projects in 206 amounted to 357,048. NIC participated in 206 in 5 research projects, in 27 projects as a carrier and in 24 projects as a participant. NIC was successful at the SRA Public call for (co) financing research projects in 206 in 9 projects, in 0 as a carrier and in 9 as a participant. The new basic and post-doctoral projects were launched..206, the new applied projects projects were completed in 206 (NIC was a carrier in ten, in four a participant). NIC also conducted two adjusted programmes of SRA in 207, which are financed in the framework of complementary scheme for project application of the European Research Council. The projects last for three or four years. NIC led 4 research programmes and an infrastructure programme. NIC participated in two projects of the 7th EU framework programme (Eurolis, Nesco). In 206 the revenue from the projects of the 7th framework programme amounted to 73,780. Both projects were completed in 206. erant, ADREM, PLOTINA, FReSMe, LiRich- FCC) in enem projektu iz sheme M. Curie (NEWFELPRO). Prihodki iz naslova projektov Obzorje 2020 so v letu 206 znašali Leta 206 je KI začel z izvajanjem treh novih projektov iz programa Obzorja 2020, šest projektov se je izvajalo v letu 205. En projekt se je začel izvajati KI je sodeloval tudi pri šestih drugih mednarodnih projektih (DeFishGear, Prosil, NATO SfP Portable Fuel Cells, NATO SfP DURAPEM for Fuel Cells, CERIC in CRP-ICGEB) in pri dveh projektih, delno financiranih iz sredstev Evropske skupnosti (ERA-NET ERASynBio in Mar3Bio). Prihodki od teh projektov so v letu 206 znašali V letu 206 so se začeli izvajati projekti, pridobljeni na razpisu»rri v verigah in mrežah vrednosti«sklop»spodbujanje izvajanja raziskovalno-razvojnih programov (TRL3-6)«. KI sodeluje v štirih programih Pametnih specializacij (Bio- Pharm, F4F, Martina in NMP). Prihodki iz naslova teh projektov so v letu 206 znašali Leta 205 smo začeli z izvajanjem dveh projektov, financiranih iz sheme NATO. Projekta se bosta tri leta izvajala na KI. Vrednost projekta NATO SfP Portable Fuel Cells za vsa tri leta znaša in projekta SfP DURAPEM for Fuel Cells za vsa tri leta V letu 206 so prihodki iz tega naslova znašali Izvajali smo projekt, financiran s strani International centre for genetic engineering and biotechnology (ICGEB) Italija, ki traja od do Skupna vrednost projekta znaša Za leto 206 znaša realizirana vrednost prihodkov iz tega naslova.76. In 206 NIC participated in nine projects of Obzorja 2020 (MefCO2, HELIS, NANORE- START, NextBioPharm, TOLLerant, AD- REM, PLOTINA, FReSMe, LiRichFCC) and in one project of the M. Curie scheme (NEWFELPRO). The revenue from the projects of Obzorje 2020 amounted in 206 to,42,48. In 206 NIC began with the implementation of three new projects from the programme Obzorja 2020, six projects were conducted in 205. One project began on NIC also participated in six other international projects (DeFishGear, Prosil, NATO SfP Portable Fuel Cells, NATO SfP DU- RAPEM for Fuel Cells, CERIC and CRP-IC- GEB) and in two projects, partially financed from EU funding (ERA-NET ERASynBio and Mar3Bio). The revenue from these projects amounted in 206 to 346,28. In 206 began the projects, obtained at the call for applications RDI in value chains and networks Part Encouragement of implementation of research-development programmes (TRL3-6). NIC participates in four programmes of Smart Specialisation (BioPharm, F4F, Martina and NMP). The revenue from these projects amounted in 206 to 284,644. In 205 we started with implementation of two projects, financed from the NATO scheme. The projects will be carried out for three years at NIC. The value of the project NATO SfP Portable Fuel Cells for all three years is 60,000 and of the project SfP DURAPEM for Fuel Cells for all three years is 82,50. In 206 the revenue from this address amounted to 48,302. We carried out a project, financed from the International Centre for Genetic Engineering and Biotechnology (ICGEB) Italy, which will last from..205 till Total value of the project is 45,000. The realised value of revenue from this address in 206 was, Letno poročilo 206 _ Annual Report 47

25 Investicije Investments Zaposleni in izobraževanje / Employees and Education V letu 206 je inštitut v osnovna sredstva investiral V letu 206 je inštitut v opremo investiral , od tega v raziskovalno opremo ,34. Vrednost investicij v nepremičnine je bila , drugih investicij je bilo za Novo raziskovalno opremo večje vrednosti predstavljajo predvsem: aparatura za merjenje molekulskih interakcij, gruča računalnikov supermicro Mlacom, segrevalno-napetostni nosilec za vzorce, kromatograf plinski Shimadzu + detektor, reaktorski sistem (6x Multiple Autoclave system). In 206 the Institute invested,322,544 in fixed assets. In 206 the Institute invested,236,307 in equipment, thereof 850, in research equipment. The value of real estate investments was 78,745, and of other investments 7,492. The new research equipment of higher value represent mainly: apparatus for measuring molecular interactions; cluster of computers - supermicro Mlacom; heating-voltage carrier for samples; gas chromatograph Shimadzu + detector; reactor system (6x Multiple Autoclave system). Število zaposlenih na Kemijskem inštitutu se je v letu 206 v primerjavi s prejšnjim letom malenkost znižalo, in sicer s 30 na 298. Glede na leto 205 se je število zaposlenih v raziskovalnem sektorju zmanjšalo za dober %, število administrativnega osebja (zaposlenih v sektorju skupnih služb) pa je ostalo nespremenjeno. Leta 206 je na Kemijskem inštitutu začelo delati osem novih mladih raziskovalcev, usposabljanje pa je zaključilo mladih raziskovalcev. Konec leta 206 je bilo na Kemijskem inštitutu število zaposlenih 298, od tega 39 doktorjev znanosti, trije magistri, 26 visoko izobraženih, deset višje izobraženih in 20 srednje ali nižje izobraženih. V tujih raziskovalnih organizacijah se je v letu 206 dlje od meseca dni usposabljalo 4 zaposlenih na inštitutu. Z inštitutom je v letu 206 sodelovalo 35 gostujočih raziskovalcev in 9 tujih študentov, sedem tujih raziskovalcev pa se je v letu 206 na inštitutu zaposlilo. The number of employees at the National Institute of Chemistry slightly decreased compared to the previous year, namely from 30 to 298. Compared to 205, the number of employees in the research sector decreased by about %, the number of administrative staff (employees in the joint services sector) remained unchanged. In new young researchers began working at the National Institute of Chemistry, and training was completed by young researchers. At the end of 206 the number of employees at the National Institute of Chemistry was 298, including 39 Doctors of Science, three Masters, 26 highly-educated, ten of higher education, and 20 of secondary or lower education. In foreign research organisations 4 employees of the Institute trained in 206 for more than a month. 35 visiting researchers and 9 foreign students cooperated with the Institute in 206, and seven foreign researchers were employed by the Institute. Mednarodno sodelovanje 206 / international Cooperation in 206 Bilateralno sodelovanje / Bilateral cooperation Argentina / Argentina Francija / France Hrvaška / Croatia Indija / India Japonska / Japan Rusija / Russia Srbija / Serbia Turčija / Turkey ZDA / USA Avstrija / Austria Skupno / Total Multilateralno sodelovanje / Multilateral cooperation 7. Okvirni program EU / EU 7th Framework Program EU Obzorje 2020 projekti / EU Horizon 2020 NEWFELPRO Jadranski čezmejni strateški projekt IPA / IPA Adriatic Cross-border Cooperation Project Life + projekt / Life + project ERA-NET The Science of Peace and Security Programme (SPS) NATO projekt / NATO project Drugi projekti / Other projects Skupno / Total Tabelarični prikaz podatkov o zaposlenih / Tabular data review of employees Število zaposlenih na dan / Number of employees as at Število sklenjenih pogodb o zaposlitvi / The number of signed contracts of employment Število prenehanj delovnega razmerja / The number of employment terminations Število mladih raziskovalcev / The number of young researchers Število zaključenih šolanj mladih raziskovalcev / The number of completed educations of young researchers Število usposabljanj v tujini (več kot mesec dni) / The number of trainings abroad (more than a month) Število sodelujočih tujih raziskovalcev / The number of participating foreign researchers Število zaposlitev tujih raziskovalcev v letu 206 / 7 The number of employment of foreign researchers in Letno poročilo 206 _ Annual Report 49

26 Družbena odgovornost Kemijski inštitut je kot pridruženi član v pobudi Združenih narodov Global Compact tudi v letu 206 potrdil zavezo družbeni odgovornosti. S pridruženim članstvom smo se ponovno prostovoljno obvezali, da bomo spoštovali in promovirali temeljna načela družbene odgovornosti. V okviru izboljševanja pogojev ter urejenosti in učinkovitosti dela smo tudi letos podaljšali veljavnost certifikata ISO 900. V sklopu Centra za validacijske tehnologije in analitiko (CVTA D6) je Kemijski inštitut tudi nosilec JAZMP certifikata za opravljanje kontrole kakovosti fizikalnih in kemijskih meritev po standardu dobre proizvodne prakse (angleško: good manufacturing practice GMP). EU-GMP cetrifikat omogoča opravljanje storitev kontrole kakovosti farmacevtskih izdelkov, aktivnih učinkovin, intermediatov, kemikalij, ekscipientov in pomožnih substanc za potrebe farmacevtske industrije na trgih Evropske unije, Kanade in Japonske. JAZMP EU- GMP certifikat se obnavlja na vsake tri leta, hkrati pa ustreznost poslovanja zagotavljamo s kontinuiranim izobraževanjem in usposabljanjem zaposlenih ter preverjamo z internim in eksternim inšpekcijskim nadzorom. Corporate social responsibility The National Institute of Chemistry has, as an associate member of the UN Global Compact, confirmed its continuing obligation to corporate social responsibility. With associated membership we have again voluntarily made the commitment to respect and promote the fundamental principles of social responsibility. In the context of improving the conditions, orderliness, and efficiency of work we once again extended the validity of the certificate ISO 900. The Center for Validation Technologies and Analytics (CVTA - D6), as part of the National Institute of Chemistry, also holds JAZMP certificate for performing quality control of physical and chemical measurements in compliance with the standard of good manufacturing practice (GMP). EU-GMP cetrificate enables quality control analytical service for final pharmaceutical products, active ingredients, intermediates, chemicals, excipients and other substances for the needs of the pharmaceutical industry in the markets of the European Union, Canada and Japan. JAZMP EU-GMP certificate is renewed every three years, while the GMP compliance of operations is ensured through continuous education and training of staff and verified by internal and external supervision and inspections. Izobrazbena struktura zaposlenih na dan / Educational structure of employees on 3. December 206 Št. doktorjev No. of Ph.D. Magisterij Masters degree Visoka izobrazba University education Višja izobrazba Bachelors degree Ostali Others Skupaj / Total: 298 EU GMP certificate 50 Letno poročilo 206 _ Annual Report 5

27 doktorati, magisteriji... objave nagrade prenos znanja Ph.D., M.Sc. theses... publications awards knowledge transfer 54-73

28 Objave in citiranost v letu 206 Publications and citations in 206 no biologijo in imunologijo (D2), ki so rezultate svojega dela objavili v prestižni reviji Nature Medicine (faktor vpliva revije znaša 33,6). Ta izjemni dosežek pomeni znaten prispevek k utrjevanju ugleda slovenskih znanstvenikov v svetu. The achievements of a group of Slovenian scientists from the Section of synthetic biology and immunology (D2) need to be mentioned. The results of their work were published in a prominent journal Nature Medicine (impact factor of the journal is 33.6). This extraordinary achievement is a significant contribution to strengthening the reputation of Slovenian scientists globally. Število diplomskih del, magisterijev in doktoratov na KI / Number of B.Sc., M.Sc. and Ph.D theses 00 V letu 206 Kemijski inštitut beleži 273 objav, ki zajemajo članke, knjige, poglavja in patente. Povprečni faktor vpliva revij, v katerih so v letu 206 objavljali raziskovalci Kemijskega inštituta, je znašal 4,472, kar pomeni izboljšanje glede na preteklo leto. Povprečno mesto v letu 206, ki ga zaseda revija na določenem področju, je bilo 24, kar je primerljivo glede na pretekla leta. Citiranost znanstvenih del naših raziskovalcev, ki je pomemben pokazatelj uspešnosti, je v letu 206 znašala 7345 čistih citatov. Vse to omogoča večjo konkurenčnost pri prijavi mednarodnih in domačih raziskovalnih projektov pa tudi večjo prepoznavnost v raziskovalnih krogih na posameznih področjih raziskovanja. Posebej velja izpostaviti dosežke skupine slovenskih znanstvenikov z Odseka za sintez- Preglednica: Objavljena dela v letu (članki, knjige, poglavja, patenti) Table: Published works in the year (articles, books, chapters, patents) Leto / Year Št. objavljenih del / No. of published works Povprečni IF / Average IF 3,339 3,647 3,095 3,748 4,394 4,472 In 206 the National Institute of Chemistry recorded 273 publications, which include articles, books, chapters, and patents. The average impact factor of the journals, in which the researchers of the National Institute of Chemistry published in 206, amounted to 4,472, which represents an improvement compared to the previous year. The average position in 206, that a journal holds in an appointed field was 24, which is comparable to previous years. Citation of scientific works of our researchers, which is an important indicator of success, amounted in 206 to 7345 pure citations. All this enables greater competitiveness in the application for international and domestic research projects as well as greater recognisability in research circles in specific fields of research. Povprečno mesto revije / Average journal place Citiranost / Citations Število diplom, magisterijev, doktoratov, mentorstev in komentorstev s strani zaposlenih na KI / Number of B.Sc., M.Sc., Ph.D., theses, mentorship and comentorship by employees of NIC diplom / Undergraduate Theses magisterijev / Master s Theses doktoratov / Doctoral Theses mentorstev pri diplomah / Mentorships of Undergraduate Theses mentorstev pri magisterijih / Mentorships of Master s Theses mentorstev pri doktoratih / Mentorships of Doctoral Theses somentorstev pri diplomah / Comentorships of Undergraduate Theses somentorstva pri magisterijih / Comentorships of Master s Theses somentorstev pri doktoratih / Comentorships of Doctoral Theses Doktorati v letu 206 / Doctoral theses in the year 206 Tomaž Fakin Alen Vižintin Naneh Omar Maxim Zabilskiy Mirjana Rodošek Primož Jovanovič Sabina Božič Abram Kočar Vid Plošnik Alja Jan Bitenc Avsenik Lidija Milena Zorko Jan Lonzarič Florian Alexander Strauss D09 D0 D D05 D0 D0 D2 D2 D03 D0 D03 D0 D2 D Letno poročilo 206 _ Annual Report 55

29 Članki, objavljeni v revijah z največjim faktorjem vpliva Articles published in journals with the highest impact factor IF =,7 D5 KOTAR, Anita, WANG, Baifan, SHIVALINGAM, Arun, GONZALEZ-GARCIA, Jorge, VILAR, Ramon, PLAVEC, Janez. NMR structure of a trianguleniumbased long-lived fluorescence probe bound to a G-quadruplex. Angewandte Chemie, International Edition, 206, vol. 55, iss. 40, str [COBISS.SI-ID ] IF =,3 D PODOBNIK, Marjetka, SAVORY, Peter, ROJKO, Nejc, KISOVEC, Matic, WOOD, Neil, HAMBLEY, Richard, PUGH, Jonathan, WALLACE, E. Jayne, MCNEILL, Luke, BRUCE, Mark, LIKO, Idlir, ALLISON, Timothy M., MEHMOOD, Shahid, YILMAZ, Neval, KOBAYASHI, Toshihide, GILBERT, Robert J., ROBINSON, Carol V., JAYASINGHE, Lakmal, ANDERLUH, Gregor. Crystal structure of an invertebrate cytolysin pore reveals unique properties and mechanism of assembly. Nature Communications, 206, vol. 7, str. -0. [COBISS.SI-ID ] Izvirna znanstvena dela / Original scientific works IF = 30,4 D2 MORTON, Nicholas M., BELTRAM, Jasmina, CART- ER, Roderick, MICHAILIDOU, Zoi, GORJANC, Gregor, MCFADDEN, Clare, BARRIOS-LLERENA, Martin E, RODRIGUEZ-CUENCA, Sergio, GIBBINS, Matthew T G, AIRD, Rhona E, MORENO-NAVARRETE, José Maria, MUNGER, Steven C, SVENSON, Karen L, GASTALDELLO, Annalisa, RAMAGE, Lynne, NA- REDO, Gregorio, ZEYDA, Maximilian, WANG, Zhao V, HOWIE, Alexander F, SAARI, Aila, SIPILÄ, Petra, STULNIG, Thomas M, GUDNASON, Vilmundur, KE- NYON, Christopher J., SECKL, Jonathan R., WALK- ER, Brian R., WEBSTER, Scott P, DUNBAR, Donald R., CHURCHILL, Gary A, VIDAL-PUIG, Antonio, FER- NANDEZ-REAL, José Manuel, EMILSSON, Valur, HORVAT, Simon. Genetic identification of thiosulfate sulfurtransferase as an adipocyte-expressed antidiabetic target in mice selected for leanness. Nature Medicine, 206, 22, no. 7, str [COBISS.SI-ID ] IF =,7 D5 GALER, Petra, WANG, Baifan, ŠKET, Primož, PLAVEC, Janez. Reversible ph switch of two-quartet G-quadruplexes formed by human telomere. Angewandte Chemie, International Edition, 206, vol. 55, iss. 6, str [COBISS.SI-ID ] IF =,7 D5 COTMAN, Andrej Emanuel, CAHARD, Dominique, MOHAR, Barbara. Stereoarrayed CF3-substituted,3-diols by dynamic kinetic resolution: ruthenium(ii)-catalyzed asymmetric transfer hydrogenation. Angewandte Chemie, International Edition, 206, vol. 55, iss. 7, str [COBISS.SI-ID ] IF =,7 D3, D7 SOSIČ, Izidor, GOBEC, Martina, BRUS, Boris, KNEZ, Damijan, ŽIVEC, Matej, KONC, Janez, LEŠNIK, Samo, OGRIZEK, Mitja, OBREZA, Aleš, ŽIGON, Dušan, JANEŽIČ, Dušanka, MLINARIČ-RAŠČAN, Irena, GOBEC, Stanislav. Nonpeptidic selective inhibitors of the chymotrypsin-like (ß5i) subunit of the immunoproteasome. Angewandte Chemie, International Edition, 206, vol. 55, iss. 9, str [COBISS.SI-ID ] IF =,3 D3 HODNIK, Nejc, BALDIZZONE, Claudio, POLYMEROS, George, GEIGER, Simon, GROTE, Jan-Phillip, CHEREVKO, Serhiy, MINGERS, Andrea, ZERAD- JANIN, Aleksandar, MAYRHOFER, Karl. Platinum recycling going green via induced surface potential alteration enabling fast and efficient dissolution. Nature Communications, 206, vol. 7, str. -6. [COBISS.SI-ID ] IF =,3 D2 KOČAR, Vid, SCHRECK, John S., ČERU, Slavko, GRADIŠAR, Helena, BAŠIĆ, Nino, PISANSKI, Tomaž, DOYE, Jonathan P. K., JERALA, Roman. Design principles for rapid folding of knotted DNA nanostructures. Nature Communications, 206, vol. 7, str. -8. [COBISS.SI-ID ] IF = 9,4 D4 WICKLEIN, Bernd, KOCJAN, Darko, CAROSIO, Federico, CAMINO, Giovanni, BERGSTRÖM, Lennart. Tuning the nanocellulose-borate interaction to achieve highly flame retardant hybrid materials. Chemistry of Materials, 206 vol. 28, iss. 7, str [COBISS.SI-ID ] 56 Letno poročilo 206 _ Annual Report 57

30 Pregledna znanstvena dela / Review Scientific Works IF = 9,3 D04, D0 IF = 9,3 D04, D0, D3 IF = 22,0 D3 IF = 3,3 D GATALO, Matija, JOVANOVIČ, Primož, POLYMEROS, George, GROTE, Jan-Phillip, PAVLIŠIČ, Andraž, RUIZ-ZEPEDA, Francisco, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., BELE, Marjan, MAYRHOFER, Karl, HODNIK, Nejc, GABERŠČEK, Miran. Positive effect of surface doping with Au on the stability of Pt-based electrocatalysts. ACS Catalysis, 206, vol. 6, iss. 3, str [COBISS. SI-ID ] PAVLIŠIČ, Andraž, JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, BELE, Marjan, DRAŽIĆ, Goran, ARČON, Iztok, HOČEVAR, Samo B., KOKALJ, Anton, HODNIK, Nejc, GABERŠČEK, Miran. Atomically resolved dealloying of structurally ordered Pt nanoalloy as an oxygen reduction reaction electrocatalyst. ACS Catalysis, 206, vol. 6, iss. 8, str [COBISS.SI-ID ] HODNIK, Nejc, DEHM, Gerhard, MAYRHOFER, Karl. Importance and challenges of electrochemical in situ liquid cell electron microscopy for energy conversion research. Accounts of Chemical Research, 206, vol. 49, iss. 9, str [COBISS.SI-ID 59820] FAIS. Stefano, O DRISCOLL, Lorraine, BORRÀS, Francesc E., BUZAS, Edit I., CAMUSSI, Giovanni, CAPPELLO, Francesco, CARVALHO, Joana, SILVA, Anabela Cordeiro da, PORTILLO, Hernando del, EL ANDALOUSSI, Samir, FICKO TRČEK, Tanja KRALJ- IGLIČ, Veronika, BEDINA ZAVEC, Apolonija, et al. Evidence-based clinical use of nanoscale extracellular vesicles in nanomedicine. ACS Nano, 206, vol. 0, iss. 4, str [COBISS.SI-ID ] Bibliografija inštituta v letu 206 ANALITIČNI PODATKI (tipologija COBISS /odseki) Institute bibliography for 206 ANALYTICAL DATA (typology COBISS /departments) Dela / Works D0 D03 D04 D05 D06 D07 D09 D0 D D2 D3 D4 D5 D6 D7 Bruto Dvojniki / Trojniki / Overlaps Skupaj / All Članki, monografije, poglavja / Articles, monographies, chapters / 5 98 Prispevki na konferencah / Conference contributions / Patenti / Patents / 0 5 Predavanja / Lectures / 0 80 Dokumenti / Documents / 0 44 Doktorati, magisteriji, diplome / PhD, MSc, BSc / Letno poročilo 206 _ Annual Report 59

31 Prenos znanja v gospodarstvo Knowledge transfer to the economy Komisija za inovacije. Commission for Innovation. Inovacije so za Kemijski inštitut bistvenega pomena tako z vidika same znanosti kot tudi z vidika sodelovanja z gospodarstvom in izpolnjevanja poslanstva inštituta. Politiko Kemijskega inštituta na področju inovacij ter prenosa znanj in tehnologij v gospodarstvo že leta sooblikuje štiričlanska Komisija za inovacije (KZI), ki je sestavljena iz treh raziskovalcev (izr. prof. dr. Mojca Benčina, prof. dr. Robert Dominko in dr. Samo Hočevar) ter enega pravnika (Tanja Šarabon oz. Urša Jerše). V letu 206 je bila za namen izboljšanja sodelovanja z gospodarstvom na KI tudi formalno ustanovljena Pisarna za prenos znanja. Pisarna ponuja vso potrebno podporo pri zaščiti intelektualne lastnine in trženju tehnologij. Pri trženju so njene naloge predvsem iskanje potencialnih industrijskih partnerjev ter pogajanja za prodajo patentov in sklenitev licenčnih pogodb. Eden glavnih ciljev pisarne pa je tudi spodbujanje ustanavljanja odcepljenih podjetij s pomočjo širjenja podjetniške miselnosti in zagotavljanja podpornega okolja. Innovations are, for the National Institute of Chemistry, of great importance, in terms of science itself as well as in terms of cooperation with the economy and the fulfilment of the mission of the Institute. The policy of the National Institute of Chemistry in the field of innovations and transfer of knowledge and technologies to the economy has been co-shaped for years by four members of the Commission for Innovation (CFI), which consists of three researchers (Assoc. Prof. Dr. Mojca Benčina, Prof. Dr. Robert Dominko, and Dr. Samo Hočevar) and one lawyer (Tanja Šarabon or Urša Jerše). For the purpose of improving the co-operation with the economy the Knowledge Transfer Office was formally established in 206. The office provides all the necessary support for the protection of intellectual property and marketing of technologies. Its tasks in the marketing are finding potential industrial partners, negotiations for the sale of patents, and the conclusion of licence contracts. One of the main objectives of the office is also promoting the establishment of spin-offs through the spread of an entrepreneurial mind-set and providing a supportive environment. Patenti V letu 206 so bili v Sloveniji podeljeni trije patenti, pet pa jih je bilo podeljenih v tujini (štiri s strani Evropskega patentnega urada in eden na Japonskem). V Sloveniji so bile vložene štiri patentne prijave, v tujini pa skupno sedem (od tega štiri na Evropski patentni urad, za tri pa je bila vložena zahteva za mednarodno poizvedbo PCT). Največji preboji v letu 206 Odstranjevanje pepela iz odpadne biomase: BiAR proces BiAR (Biomass Ash Removal) proces omogoča ločitev organskih komponent, ki so uporabne za energijsko izrabo, od anorganskih komponent, ki pogosto onemogočajo energijsko izrabo odpadne lignocelulozne biomase, vendar vseeno vsebujejo pomembne kemijske elemente. Prednosti tega postopka se kažejo v predelavi biomase, ki sicer ni primerna za uporabo v energetske namene, v gorivo poljubne oblike (trdni peleti, pastozna ali tekoča oblika). Proces je tudi energetsko varčen, hkrati pa zagotavlja visoko energijsko vrednost produkta (2 MJ/kg). Izolirani pepel se lahko uporabi tudi kot anorgansko gnojilo. Trenutno je v izgradnji kontinuirana pilotna enota. Patents Three patents were granted in 206 in Slovenia, five patents were granted abroad (four by the European Patent Office and one in Japan). Four patent applications were filed in Slovenia, a total of seven abroad (thereof four at the European Patent Office, a request for international inquiry - PCT was filed for three inventions). Major breakthroughs in 206 Removing ashes from waste biomass: BiAR process BiAR (Biomass Ash Removal) process provides the separation of organic components, which are useful for energy exploitation, from the inorganic components, which hinder energy exploitation from waste lignocellulosic biomass, but still contain valuable chemical elements. Advantages of this process are shown in the exploitation of low-quality biomass with high ash content and its conversion into various forms of fuel (solid pellets, paste of a liquid). The process is also energy-efficient, but at the same time ensures a high fuel quality of the product (2 MJ/kg). Isolated ash can be used as an inorganic fartiliser. A continuous pilot unit is currently being developed. 60 Letno poročilo 206 _ Annual Report 6

32 Odstranjevanje pepela iz odpadne biomase: BiAR proces / Removing ashes from waste biomass: BiAR process Raziskovalna ekipa / Research team dr. Miha Grilc (KI) prof. dr. Blaž Likozar (KI) Gian Claudio Faussone (INSER Energia s.r.l.) timikrobnih spojin, ki so škodljive za človekovo zdravje in okolje. Načrtovanje spojin, ki delujejo tarčno na določene proteine, prisotne samo pri rastlinskih škodljivcih, je zelo dobrodošlo. environment and human-friendly, because in contrast to the classic fungicides, it doesn t contain antimicrobial compounds that are harmful to human health and environment. The planning of compounds that work on specific target proteins, which are only present in plant pests, is highly appreciated. PCT prijava (PCT/IT206/00040) Solastništvo: Inser Energia s.r.l. PCT application (PCT/IT206/00040) Co-ownership: Inser Energia s.r.l. Fungicid za zatiranje rastlinskih škodljivcev Fungicide for suppression of plant pathogens Izum se uvršča na področje fitofarmacije in predstavlja formulacijo malih spojin in njihovo uporabo za preprečevanje bolezni na rastlinah, katerih povzročitelji so patogeni organizmi, ki izločajo proteine NLP. Primeren je za zatiranje rastlinskih patogenov, kot je Phytophthora, ki povzroča krompirjevo in paradižnikovo plesen. Trenutno je tehnologija na stopnji laboratorijskega poskusa, potekajo pa že pogovori z industrijskimi partnerji za nadaljnja testiranja. Prednost te tehnologije v primerjavi z obstoječimi je predvsem njena učinkovitost, saj obstoječi pripravki nadzorujejo posamezni organizem oz. posamezno vrsto organizmov, medtem ko predložena tehnologija deluje širše in lahko zajame organizme iz raznovrstnih taksonomskih spojin, saj proteine NLP izločajo organizmi iz različnih taksonomskih skupin, kot so bakterije, oomicete in glive. Hkrati je tehnologija okolju in človeku prijazna, saj za razliko od klasičnih fungicidov ne vsebuje an- The invention is placed in the field of Phytopharmacy and it presents the formulation of small compounds and their use for the prevention of plant diseases, which are caused by pathogenic organisms that excrete NLP-proteins. It is suitable for the suppression of plant pathogens, like Phytophthora, which causes potato and tomato blight. The technology is currently at the stage of laboratory experiment, the discussions with industry partners for further testing are already taking place. The advantage of this technology, compared to the existing ones, is mainly its effectiveness, because the existing concoctions control individual organism or individual sorts of organisms, while the presented technology works widely and can grasp organisms from diverse taxonomic compounds, because the NLP-proteins are excreted by organisms from diverse taxonomic groups, like bacteria, oomycetes and fungi. The technology is at the same time Fungicid za zatiranje rastlinske plesni / Fungicide for suppression of vegetable mould Raziskovalna ekipa / Research team prof. dr. Gregor Anderluh (NIC) prof. dr. Stanislav Gobec (UL) prof. dr. Thorsten Nürnberger (EKUT ZMBP) doc. dr. Marjetka Podobnik (NIC) Tea Lenarčič (NIC) dr. Vesna Hodnik (UL, NIC) dr. Boris Brus (UL) doc. dr. Izidor Sosič dr. Isabell Albert (EKUT ZMBP) dr. Hannah Böhm (EKUT ZMBP) European patent application Co-ownership: University of Ljubljana (Faculty of Pharmacy) and University of Tübingen. 62 Letno poročilo 206 _ Annual Report 63

33 Projektna pisarna / Project office Projektna pisarna: dr. Barbara Tišler - vodja, Nina Bitenc, Ivica Ilić, Mateja Perčič, Nina Pohleven - koordinatorji projektov. Project office: Dr. Barbara Tišler Head, Nina Bitenc, Ivica Ilić, Mateja Perčič, Nina Pohleven project coordinators. Uspehi, nagrade in priznanja v letu 206 Successes, Awards, and Recognitions in 206 Velika Preglova nagrada Kemijskega inštituta za raziskovalno delo Grand Pregl Award of the Institute of Chemistry for Research Kemijski inštitut preko projektne pisarne nudi podporo raziskovalcem pri sodelovanju v mednarodnih raziskovalnih projektih, vključevanju v mednarodne interesne mreže ter sodelovanju z domačimi in tujimi raziskovalnimi in industrijskimi partnerji. Projektna pisarna je na voljo raziskovalcem za celoten proces projektne prijave- od nastanka projektne ideje do sklenitve konzorcijske pogodbe in pogodbe o sofinanciranju. Člani pisarne so strokovnjaki usposobljeni predvsem za sklope komunikacija, upravljanje in vpliv predlaganega projekta na družbo. Projektna pisarna skrbi tudi za ažurno obveščanje raziskovalcev o aktualnih razpisih ter identifikacijo drugih finančnih virov za znanstvenoraziskovalno dejavnost, nudi podporo raziskovalcem pri iskanju ustreznih partnerjev in sodelovanju s partnerji iz industrije, sodeluje s kontaktnimi točkami za programe EU na področju raziskav in inovacij ter organizira izobraževanje, usposabljanje in delavnice za lažje vključevanje raziskovalcev v evropski raziskovalni prostor. The National Institute of Chemistry uses the project office to provide support to researchers in their participation in international research projects, integration into international interest networks, and cooperation with domestic and foreign research and industrial partners. The project office is available to researchers through the entire process of project application from the creation of the project idea to the conclusion of the consortium agreement and the subsidy contract. Members of the office are experts trained especially in the field of communication, management, and impact of the proposed project on the society. The project office is also responsible for timely information of researchers about current tenders and the identification of other resources for financing research activities, it provides support to researchers in finding appropriate partners and collaboration with partners from the industry, cooperates with contact points for EU programmes in the field of research and innovation, and organises education, training, and workshops to facilitate the integration of researchers in the European research area. ( ) Ob 70-letnici Kemijskega inštituta je bila podeljena Velika Preglova nagrada za raziskovalno delo, ki jo je posthumno prejel prof. dr. Janko Jamnik, ki je pustil izjemen pečat na Kemijskem inštitutu in širše, ko je bil član in vodja Laboratorija za impedančno spektroskopijo in v zadnjem obdobju kot direktor Kemijskega inštituta. Prof. dr. Janko Jamnik (8 June 206) On the occasion of the 70th anniversary of the Institute of Chemistry, the Grand Pregl Award for research was posthumously awarded to Prof. Dr. Janko Jamnik, a man who left a remarkable impression on the National Institute of Chemistry and beyond, when he was a member and head of the laboratory for impedance spectroscopy and in recent years also as the Director of the Institute of Chemistry. 64 Letno poročilo 206 _ Annual Report 65

34 Naziv zaslužni raziskovalec Kemijskega inštituta Naziv zaslužni raziskovalec Kemijskega inštituta je bil 8. junija 206 podeljen upokojenima sodelavcema Odseka za katalizo in reakcijsko inženirstvo, akademiku prof. dr. Janezu Levcu in dr. Stanku Hočevarju. Oba dobitnika tega prestižnega naziva sta s svojim znanjem, izkušnjami in prodornostjo pomembno prispevala k delovanju, uspehom in prepoznavnosti Kemijskega inštituta, tako doma kot v tujini. The title of Researcher Emeritus of the Institute of Chemistry On 8 June 206, the title of the Researcher Emeritus was awarded to two retired colleagues of the Department of Catalysis and Reaction Engineering: Prof. Dr. Janez Levec and Dr. Stanko Hočevar. Both recipients of this prestigious title significantly contributed to the work, success, and visibility of the Institute of Chemistry with their knowledge, experience, and ingenuity, both at home and abroad. Z leve proti desni: direktor Kemijskega inštituta prof. Gregor Anderluh, ob njem pa Preglova nagrajenca, dr. Gregor Strle in dr. Maxim Zabilskiy. Left to right: Director of the Institute of Chemistry Prof. Gregor Anderluh, next to him recipients of the Grand Pregl Award: Dr. Gregor Strle and Dr. Maxim Zabilskiy. Preglova nagrada Kemijskega inštituta za izjemno doktorsko delo na področju kemije in sorodnih ved v letu 206 ( ) Nagrado je prejel dr. Maxim Zabilskiy za doktorsko delo»cuo-ceo 2 mešani kovinski oksidi kot katalizatorji za razgradnjo N 2 O: sinteza, karakterizacija in katalitska aktivnost«, Fakulteta za kemijo in kemijsko tehnologijo Univerze v Ljubljani. Mentor: prof. dr. Albin Pintar, somentor: prof. dr. Igor Plazl. Grand Pregl Award of the Institute of Chemistry for outstanding doctoral thesis in the field of chemistry and related sciences in 206 (3 December 206) The Award was received by D. Maxim Zabilskiy for the doctoral thesis entitled CuO-CeO 2 mixed metal oxides as catalysts for N 2 O decomposition: synthesis, characterisation, and catalytic activity, Faculty of Chemistry and Chemical Technology, University of Ljubljana. Mentor: Prof. Dr. Albin Pintar, co-mentor: Prof. Dr. Igor Plazl. Prejemnica doktorske štipendije Janka Jamnika za perspektivnega mladega raziskovalca ali raziskovalko s področja kemije in sorodnih ved ( ) Prva prejemnica doktorske štipendije, imenovane po prof. dr. Janku Jamniku, je Sabina Kolar, perspektivna mlada znanstvenica, ki je magistrirala iz biokemije na Fakulteti za kemijo in kemijsko tehnologijo Univerze v Ljubljani. The recipient of the Janko Jamnik Doctoral Scholarship for promising earlystage research in the field of chemistry and related sciences (5 October 206) Sabina Kolar, prva doktorska štipendistka Janka Jamnika. Sabina Kolar, the first recipient of the Janko Jamnik Doctoral Scholarship. The first recipient of the doctoral scholarship, named after Prof. Dr. Janko Jamnik, is Sabina Kolar, a promising young scientist, who has a master s degree in biochemistry from the Faculty of Chemistry and Chemical Technology of the University of Ljubljana. 66 Letno poročilo 206 _ Annual Report 67

35 Nagrade za inovativnost Nagrada za prvo in drugo najbolj inovativno idejo sodelavcema Kemijskega inštituta Na Univerzi v Ljubljani je 22. septembra 206 potekal mednarodni dogodek Falling Walls Lab, na katerem so sodelovali inovatorji različnih starosti, ki so predstavili svoje prebojne ideje. Prvo mesto je osvojil dr. Nejc Hodnik (D3). Predstavil je idejo»breaking the wall of hazardous noble metal recycling«, ki predstavlja postopek, s katerim rešujejo problem okolju škodljivega recikliranja plemenitih kovin, ki jih vsebujejo e-odpadki. Drugo mesto je osvojil Matija Gatalo (D0), ki je predstavil idejo»breaking the wall of fuel cell commercialization«. Dr. Barbara Mohar v podjetju Donit Tesnit prejela nagrado za inovacijo Dr. Barbara Mohar (D5) je 25. maja 206 prejela nagrado za inovacije pri razvoju industrijskih tesnil. Sodelovala je pri razvoju nove generacije mehkih tesnilnih materialov Doniflex na osnovi grafitnih, organskih in anorganskih vlaken, ki imajo izboljšane lastnosti (odporni do 350 C pri 00 barih) in se proizvajajo po okolju prijaznem»vodnem«postopku. Razvili so tudi v svetu edinstven laminiran tesnilni material na osnovi grafita, Grafilit IQ, ki prenese visoke temperature ter je visoko kemijsko in mehansko odporen (do 400 C pri 200 barih), specialni»antistick«površinski premaz pa omogoča enostavno vzdrževanje/menjavo tesnila. Gre za izdelke, ki so konkurenčni nemškim in avstrijskim. Prešernove nagrade Prešernova nagrada Fakultete za kemijo in kemijsko tehnologijo Davor Škofič - Maurer: Prešernova nagrada za diplomsko delo z naslovom»izražanje in čiščenje mutantov V452A, W453A in N454A mišjega perforina«, ki ga je izdelal pod mentorstvom prof. dr. Gregorja Anderluha. Awards for Innovation Awards for innovative ideas go to two colleagues at the National Institute of Chemistry The event Falling Walls Lab took place at the University of Ljubljana on 22 September. It was attended by innovators of all ages, who presented their breakthrough ideas. Dr. Nejc Hodnik (D3) won first place. He presented the idea Breaking the wall of hazardous noble metal recycling, which presents the process that is used to solve the problem of environmentally damaging recycling of noble metals contained in e-wastes. Matija Gatalo (D0) won second place with his idea Breaking the wall of fuel cell commercialisation. Dr. Barbara Mohar from the company Donit Tesnit receives award for innovation On 25 May 206, Dr. Barbara Mohar (D5) je 25. maja 206 prejela nagrado za inovacije pri razvoju industrijskih tesnil. Sodelovala je pri razvoju nove generacije mehkih tesnilnih materialov Doniflex na osnovi grafitnih, organskih in anorganskih vlaken, ki imajo izboljšane lastnosti (odporni do 350 C pri 00 barih) in se proizvajajo po okolju prijaznem»vodnem«postopku. Razvili so tudi v svetu edinstven laminiran tesnilni material na osnovi grafita, Grafilit IQ, ki prenese visoke temperature ter je visoko kemijsko in mehansko odporen (do 400 C pri 200 barih), specialni»antistick«površinski premaz pa omogoča enostavno vzdrževanje/menjavo tesnila. Gre za izdelke, ki so konkurenčni nemškim in avstrijskim. Prešeren Award Prešeren Award of the Faculty of Chemistry and Chemical Technology Davor Škofič - Maurer: The Prešeren Award for his diploma thesis entitled Expression and Isolation of V452A, W453A, and N454A mouse perforin mutants, which he finished under the mentorship of Prof. Dr. Gregor Anderluh. Jožica Bratec: The Prešeren Award for her Jožica Bratec: Prešernova nagrada za magistrsko delo z naslovom»meritve nanodelcev, nastalih pri laserskem tiskanju«, ki ga je pripravila pod mentorstvom prof. dr. Marije Bešter Rogač in znan. svet. dr. Irene Grgić (D04). Odličje zvezda 22. slovenskega festivala znanosti Marko Jeran (D5) je na letošnji slavnostni akademiji Slovenske znanstvene fundacije prejel priznanje zvezda 22. slovenskega festivala znanosti. Priznanje je prejel za odlično predavanje, ki je vključevalo demonstriranje atraktivnih kemijskih eksperimentov na otvoritveni slovesnosti festivala znanosti na UL FKKT septembra 206. Zlati znak Jožefa Stefana ( ) Dr. Miha Grilc (D3) je prejel zlati znak Jožefa Stefana za najodmevnejše doktorsko delo na področju naravoslovno-matematičnih ved. V okviru doktorskega dela je odkril novo metodo pretvarjanja biomase kot komplementarnega vira surovin in energije. Njegov pristop se od obstoječih razlikuje po uporabi različnih katalizatorjev, ki omogočajo učinkovitejšo pretvorbo v primerjavi s poznanim sežigom ali drugimi razširjenimi metodami, kot sta piroliza in uplinjanje. Nagrada Maksa Samca za leto decembra 206 so na Fakulteti za kemijo in kemijsko tehnologijo Univerze v Ljubljani slovesno podelili nagradi Maksa Samca, ki sta ju prejela raziskovalca Kemijskega inštituta: dr. Aljoša Bolje (D07) za doktorsko disertacijo z naslovom»sinteza in koordinativne lastnosti novih triazolskih ligandov«, ki jo je izdelal pod mentorstvom prof. dr. Janeza Košmrlja, in dr. Maksim Zabilskiy (D05) za doktorsko disertacijo z naslovom»cuo-ceo 2 mešani kovinski master s thesis entitled Measurement of nanoparticles generated by laser printers, which she prepared under the mentorship of Prof. Dr Marija Bešter Rogač and znan. svet. dr. Irene Grgić (D04). Star Award of the 22nd Slovenian Science Festival Marko Jeran (D5) received the Star Award of the 22nd Slovenian Science Festival at this year s honorary academy of the Slovenian Science Foundation. He received this award for an excellent lecture that included a demonstration of attractive chemical experiments at the opening ceremony of the Slovenian Science Festival at the UL FKKT in September 206. Jožef Stefan Golden Emblem Prize (23 March 206) Dr. Miha Grilc (D3) received the Jožef Stefan Golden Emblem Prize for the most recognisable doctoral thesis in the field of natural and mathematical sciences. As part of his doctoral thesis he discovered a new method of converting biomass as a complementary source of raw material and energy. His approach differs from those existing by use of different catalysts that enable more efficient conversion in comparison to known incineration or other common methods, such as pyrolysis and gasification. Maks Samec Award for 206 The Maks Samec Award was solemnly awarded on 8 December 206 at the Faculty of Chemistry and Chemical Technology of the University of Ljubljana. The recipients were two researchers of the Institute of Chemistry: Dr. Aljoša Bolje (D07) for his doctoral thesis entitled Synthesis and coordination properties of triazole ligands, under the mentorship of Prof. Dr. Janez Košmrlj, and Dr. Maksim Zabilskiy (D05) for his doctoral thesis entitled CuO-CeO 2 mixed metal oxides as catalysts for 68 Letno poročilo 206 _ Annual Report 69

36 oksidi kot katalizatorji za razgradnjo N 2 O: sinteza, karakterizacija in katalitska aktivnost«, ki jo je izdelal pod mentorstvom prof. dr. Albina Pintarja (D05) in somentorstvom prof. dr. Igorja Plazla. Prejemniki Krkinih nagrad (Novo mesto, ) Dr. Omar Naneh (D) za doktorsko disertacijo z naslovom»biofizikalno-kemijske lastnosti človeškega rekombinantnega perforina in njegove interakcije z lipidnimi membranami«, mentor: prof. dr. Gregor Anderluh. Matej Janežič za magistrsko delo z naslovom»in silico načrtovanje in ovrednotenje H-indazolnih zaviralcev človeške topoizomeraze Iiα«, mentor: doc. dr. Andrej Perdih, somentor: prof. dr. Tomaž Šolmajer. Matja Zalar za magistrsko delo z naslovom»vpliv kationov na zvijanje oligonukleotida d(g 4 C 2 ), njihova lokalizacija in dinamika«, mentor: prof. dr. Janez Plavec, somentor: dr. Primož Šket. Krkino nagrado za srednješolsko raziskovalno nalogo sta prejela Primož Fabjan in Veronika Hrovat, Grm NM Center biotehnike in turizma, Kmetijska šola Grm in biotehniška gimnazija, za nalogo:»flavanoli v kakavovih zrnih in čokoladi«. Mentorici: Irena Kurajić in dr. Vesna Glavnik. Drugo Ime tedna na Valu 202 Ime tedna je postal prof. dr. Robert Dominko (D0), ki je v sodelovanju s francoskimi strokovnjaki v reviji Science objavil članek, ki spreminja znane koncepte baterijskih sistemov in predstavlja pomemben korak za prehod v družbo, neodvisno od fosilnih goriv. Ime tedna je postal prof. dr. Si- N 2 O decomposition: synthesis, characterisation, and catalytic activity, under the mentorship of Prof. Dr. Albin Pintar (D05) and the comentorship of Prof. Dr. Igor Plazl. Winners of Krka Prizes (Novo mesto, 4 October 206) Dr. Omar Naneh (D) for his doctoral thesis entitled Biochemical and biophysical characteristics of recombinant human perforin and its interactions with lipid membranes, mentor: Prof. Dr. Gregor Anderluh. Matej Janežič for his master s thesis entitled In silico planning and evaluation of H-indazole inhibitors of human topoisomerase Iiα, mentor: Doc. Dr. Andrej Perdih, co-mentor: Prof. Dr. Tomaž Šolmajer. Matja Zalar for his master s thesis entitled Effects of cations on the folding of oligonucleotide d(g 4 C 2 ), their location, and dynamics, mentor: Prof. Dr. Janez Plavec, co-mentor: Dr. Primož Šket. Primož Fabjan and Veronika Hrovat received Krka Award for high school research assignment received. Mentors: Irena Kurajić and Dr. Vesna Glavnik. Other mon Horvat (D2). Odkril je gen za vitkost, ki odpira nove možnosti razvoja zdravil za z debelostjo povezanim diabetesom. Izsledke so objavili v reviji Nature medicine. Prejemnica štipendije UNESCO-L Oreal za ženske v znanosti za leto 206 Dr. Mirjana Rodošek (D0) je prejela štipendijo UNESCO-L Oreal za ženske v znanosti za leto 206 (Ljubljana, ). Najodmevnejši raziskovalni projekti Univerze v Ljubljani v letu 206 Med deset najodmevnejših raziskovalnih projektov Univerze v Ljubljani sta se uvrstila tudi projekta, pri katerih so sodelovali raziskovalci Kemijskega inštituta. To sta projekta:»novi zaviralci imunoproteasoma«, Fakulteta za farmacijo Univerze v Ljubljani. Med avtorji so tudi sodelavci D7: dr. Janez Konc, dr. Samo Lešnik in Mitja Ogrizek.»Večfunkcionalni visoko pralno obstojni film sol-gel«, Naravoslovnotehniška fakulteta Univerze v Ljubljani. Med avtorji so tudi sodelavci D0: dr. Milena Zorko, dr. Ivan Jerman in dr. Boris Orel. Ajasja Ljubetič je zmagovalec prvega slovenskega znanstvenega slama 29. septembra 206 je potekal prvi slovenski znanstveni slam, katerega namen je spodbuditi mlade znanstvenike na začetku kariere k poljudnemu predstavljanju svojega dela nestrokovni javnosti. Med enajstimi predstavitvami je občinstvo najbolj prepričal dr. Ajasja Ljubetič (D2) s svojim nastopom, naslovljenim»(nano)piramide nekoč in danes«. Odlični v znanosti Javna agencija za raziskovalno dejavnost Republike Slovenije (ARRS) z namenom promocije znanosti organizira serijo dogodkov v okviru projekta Odlični v znanosti, kjer so strokovni in splošni javnosti predstavljeni najpomembnejši dosežki slovenske znanosti. V izbor Odlični v znanosti za področje naravoslovnih ved za leto 206 je bil uvrščen tudi Name of the Week on Val 202 Radio On 3 January 206, Prof. Dr. Robert Dominko (D0) became the Name of the Week. He published an article in the Science journal in collaboration with French experts. The article is changing known concepts of batter systems and represents an important step of transition in a society independent of fossil fuels. On 2 June 206, the Name of the Week was conferred on Prof. Dr. Simon Horvat (D2). He discovered the slimness gene, which opens up new possibilities for developing drugs for obesity-related diabetes. The findings were published in the journal Nature Medicine. The recipient of the UNESCO-L Oreal for Women in Science Scholarship for 206 Dr. Mirjana Rodošek (D0) received the UNES- CO-L Oreal for Women in Science Scholarship for 206 (Ljubljana, 0 February 206). Most notable research projects of the University of Ljubljana in 206 Among the ten most notable research projects of the University of Ljubljana are two projects that involved researchers of the Institute of Chemistry. These two projects are: New imunoproteasoma inhibitors, Faculty of Pharmacy of the University of Ljubljana. Among the authors are employees of D7: Dr. Janez Konc, Dr. Samo Lešnik, and Mitja Ogrizek. Multi-functional durable sol-gel film with increased wash fastness, Faculty of Natural Sciences and Engineering of the University of Ljubljana. Among the authors are employees of D7: Dr. Milena Zorko, Dr. Ivan Jerman, and Dr. Boris Orel. Ajasja Ljubetič is the winner of the st Slovenian Science Slam The st Slovenian Science Slam took place on 9 September 206 with the purpose of encouraging young scientists at the beginning of their career to present their work to a non-expert public in a non-technical way. Among the eleven presentations, the audience selected Dr. Ajasja Ljubetič (D2) with his performance entitled (Nano)pyramids Then and Now. Excellent in Science The Slovenian Research Agency (ARRS) organised a series of events within the project called Excellent in Science. The purpose is to promote science and to present the scientific achievements to the professional and general public. The achievement of Prof. Dr. Janez Plavec (D5) - Fascinating tetra-stranded DNA structures in the human papillomavirus was 70 Letno poročilo 206 _ Annual Report 7

37 dosežek»fascinantne štiriverižne strukture DNK v človeških papilomavirusih«prof. dr. Janeza Plavca (D5). igem 206 Ekipa mladih slovenskih raziskovalcev z različnih fakultet pod okriljem Kemijskega inštituta se je konec oktobra 206 udeležila prestižnega tekmovanja igem v ZDA, na katerem je zasedla prvo mesto na področju temeljnega napredka (Foundational advance) in tako potrdila, da ima Slovenija vrhunske znanstvenike, ki s svojim znanjem in odkritji prebijajo meje v znanosti. also selected among the Excellent in Science in the field of natural sciences for 206. igem 206 At the end of October 205, a team of young Slovenian researchers from different faculties under the auspices of the Institute of Chemistry attended the prestigious igem competition in the USA, where it won first place in the field of Foundational Advance and thus confirmed that Slovenia has got top scientists who are breaking boundaries of science with their knowledge and discoveries. Sonicell, ekipa Kemijskega inštituta, ki se je udeležila tekmovanja igem, pod vodstvom prof. dr. Romana Jerale (D2). Sonicell, the National Institute of Chemistry Team which participated in the igem competition, led by Prof. Dr. Roman Jerala. Regijski BioCamp 206 Klavdija Glavač (D) je članica zmagovalne ekipe na šestem Regijskem BioCampu (Lek) 206. Mednarodna nagrada za dosežke na področju kromatografije Dr. Ireni Vovk (D06) je Central European Group for Separation Sciences za dosežke na področju kromatografije podelila medaljo in nagrado»medal and award for achievements in the field of chromatography and related Regional BioCamp 206 Klavdija Glavač (D) is a member of the winning team at the 6th Regional BioCamp (Lek) 206. International award for achievements in the field of chromatography»medal and award for achievements in the field of chromatography and related separation techniques«awarded to dr. Irena Vovk (D06) by the Central European Group for Separation Sciences (3rd July, 206, Torun, Poland). separation techniques«(3. julij 206, Torun, Poljska). Henkel Maribor Prize 6. decembra 206 je sklad Henkel Maribor na slovesni podelitvi diplom na Fakulteti za kemijo in kemijsko tehnologijo Univerze v Mariboru že triindvajsetič nagradil najboljše zaključne naloge dodiplomskega, magistrskega in doktorskega študija kemije in kemijske tehnologije na mariborski univerzi. Nagrado za najboljšo doktorsko disertacijo v študijskem letu 205/6 je prejel dr. Gregor Žerjav (D05). Član znanstvenega sveta (SSC) PRACE Prof. dr. Matej Praprotnik (D7) je postal član znanstvenega sveta (SSC) PRACE. PRACE je evropska mreža visokozmogljivega računanja. SSC sestoji iz vodilnih evropskih raziskovalcev, ki so odgovorni za nasvete in navodila glede uporabe evropske superračunalniške mreže. Profesor Praprotnik pokriva področje kemije in večskalnega modeliranja. Zlati priznanji na srečanju mladih raziskovalcev Slovenije 206 Na 50. državnem tekmovanju mladih raziskovalcev Slovenije, ki je potekalo 6. maja v Murski Soboti pod okriljem ZOTKS, so štirje dijaki Gimnazije Vič v močni konkurenci osvojili zlato priznanje. Dijaka Miha Černe in Jaka Grbac sta svojo raziskovalno nalogo z naslovom»molekularno tkanje«opravila na Odseku za sintezno biologijo in imunologijo (D2) Kemijskega inštituta, pod mentorstvom prof. Romana Jerale in prof. Andreja Brodnika s FRI, ter osvojila zlato priznanje na področju računalništva in telekomunikacij. Dijaka Lucija Parkelj in Borut Šketa pa sta prejela zlato priznanje na področju kemije za nalogo z naslovom»načrtovana proteinska mreža kot perspektiven pameten nanomaterial«, ki sta jo na istem odseku opravila pod mentorstvom dr. Helene Gradišar in prof. Romana Jerale. S to nalogo sta se udeležila tudi svetovne olimpijade ISWEEEP 206 v Houstonu, ZDA, kjer sta v hudi konkurenci osvojila srebrno medaljo. Henkel Maribor Prize At the graduation ceremony at the Faculty of Chemistry and Chemical Technology of the University of Maribor on 6 December 206, the Henkel Maribor Fund for the 23rd time rewarded the best final papers of undergraduate, master s, and doctoral studies of chemistry and chemical technology of the University of Maribor. Dr. Gregor Žerjav (D05) received the award for the best doctoral thesis in 205/206. Member of the PRACE Scientific Council (SSC) Prof. Dr. Matej Praprotnik (D7) became a member of the PRACE Council (SSC - Scientific Steering Committee). PRACE is a European network of high-performance computing. SSC consists of leading European researchers, who are responsible for advice and instructions regarding the use of the European supercomputing network. Professor Praprotnik covers the field of chemistry and multiscale modelling. Gold Awards at the Meeting of Young Researchers Slovenia 206 At the 50th Meeting of Young Researchers Slovenia, which took place on 6 May in Murska Sobota under the auspices of the ATCS, four students of Gimnazija Vič won the Gold Award in a very competitive line up. Students Miha Černe and Jaka Grbac did their research paper entitled Molecular weaving at the Department of synthetic biology and immunology (D2) of the Institute of Chemistry, under the mentorship of Prof. Roman Jerala and Prof. Andrej Brodnik from FRI, and they won the Gold Award in the field of computing and telecommunications. Students Lucija Parkelj and Borut Šketa received the Gold Award in the field of chemistry for their project entitled Planned protein network as promising smart nanomaterial, which they finished at the same Department under the mentorship of Dr. Helena Gradišar and Prof. Roman Jerala. With this project they also attended the ISWEEP Olympiad 206 in Houston, USA, where they won a silver award in a very tough competition. 72 Letno poročilo 206 _ Annual Report 73

38 Zaposleni v splošnem sektorju General sector - employees 76

39 Splošni sektor / General Sector Tanja Šarabon pomočnica direktorja / Assistant Director Glavna pisarna / Main Office Meta Skumavc Francka Dobnikar Sekretariat Jasmina Štiftar Projektna pisarna dr. Barbara Tišler (vodja/head) od / from Meta Šest Mateja Perčič Nina Pohleven Velesa Mrak Pisarna za prenos znanja Urša Jerše Kadrovska služba Tanja Svetic Katarina Mušič Velesa Mrak Služba za odnose z javnostjo in IT Brigita Pirc Deni Bačič Služba za zdravje in varnost pri delu mag. Muharem Husić dr. Andreja Drolc dr. Nada Kraševec Služba za kakovost dr. Andreja Drolc dr. Nada Kraševec Knjižnica / Library Lilijana Grah dr. Andreja Drolc Sektor za finančno ekonomske zadeve / Finance and Accounting Department Mitja Čermelj - pomočnik direktorja/ Assistant Director Tehnične delavnice / Technical Services Vinko Pintar (vodja/head) Toni Ambrož Gregor Babnik Robert Vidmar Strojna delavnica Marjan Smole Računovodstvo / Accounting David Pintar (vodja/head) Vedrana Gorenšek Fedor Križman Eva Lun Janja Pintarič Tanja Volovšek Plan in analize / Planning and analyses Barbara Dorić (vodja / Head) Maruša Rajovec v.d. vodje od / Acting Head from Urša Roblek Mojca Pretnar od / from Nina Klatzer od / from Letno poročilo 206 _ Annual Report 77

40 odseki departments 80-63

41 Odsek za računsko biokemijo in načrtovanje učinkovin Department of Computational Biochemistry and Drug Design Vodja / Head prof. dr. Janez Mavri D0 Multiskalno modeliranje encimske katalize in računalniško podprto načrtovanje novih zdravilnih učinkovin Ključne dejavnosti Računalniška simulacija encimske katalize z aplikacijami na nevroznanosti. Načrtovanje novih protibakterijskih in protirakavih zdravilnih učinkovin. Interakcija učinkovina-receptor. Kemijska reaktivnost DNA. Reakcije pomembne za nevrodegeneracijo. Nuklearni kvantni efekti. Interakcije majhnih organskih in biomolekul v kondenziranem stanju. Glavni dosežki v letu 206 Prenos živčnega signala je ena izmed glavnih tem v nevroznanosti. Fiziologija in patofiziologija možganov sta kritično odvisni od nivojev monoaminskih nevrotransmiterjev in nevromodulatorjev, kot so dopamin, serotonin, noradrenalin, histamin in feniletilamin ter njihove interakcije z receptorji, sklopljenimi s proteinom G. Količine biogenih aminov so odvisne od dinamike njihovega ponovnega privzema, ki ga nadzorujejo transporterji, in od Computational approaches to enzyme catalysis and computeraided drug design Topic Areas The computer simulation of enzyme catalysis. The rational design of novel antibacterial and anticancer compounds. Drug-receptor recognition. Chemical Reactivity of DNA. Reactions relevant for neurodegeneration. Nuclear quantum effects. The interactions of small organic and biomolecules in the condensed phase. Important achievements in 206 Neural signal transmission is one of the central topics of neuroscience. The physiology and pathophysiology of the central nervous system critically depend on the level of excitatory monoaminergic neurotransmitters and neuromodulators, including dopamine, serotonin, noradrenaline, histamine and phenylethylamine and their interaction with G protein coupled proteins. The levels of biogenic amines depend on their reuptake, which is controlled by transporters and chemical decomposikemijske razgradnje, ki v glavnem poteka prek encima monoamino oksidaze (MAO). Z metodami multiskalne simulacije na nivoju QM/MM smo študirali razgradnjo noradrenalina, feniletilamina in dopamina, ki jih katalizira encim MAO ter kinetiko procesov, ki vodijo v nevrodegeneracijo. Proučevali smo vpliv točkovne mutacije na aktivnost encima, izračunali H/D kinetični izotopski efekt za razgradnjo dopamina ter ovrednotili nuklearni kvantni efekt pri interakciji med histaminom in histaminskim receptorjem H2. Proučevali smo kinetiko procesov, ki povzročajo nevrodegeneracijo. Na področju načrtovanja protibakterijskih učinkovin smo sodelovali z raziskovalno skupino iz Univerze v Delhiju, ki je razvila metodo določanja inhibicije za družino encimov Mur ligaz (MurC-MurF) iz M. tuberculosis. Spojine iz naše odkrite serije furan-benzen monokarboksilatnih inhibitorjev so služile kot modelne spojine za validacijo testa in potrdile njegovo uporabnost ter hkrati tudi uporabnost spojin za širokospektralno inhibicijo Mur ligaz. Pri raziskavah protirakavih učinkovin smo s kombinacijo in silico in in vitro metod izvedli dvostopenjsko načrtovanje novih katalitičnih zaviralcev človeške topoizomeraze IIα ter identificirali nov razred H-indazolnih zaviralcev človeške topoizomeraze IIα. Z dodatnimi testi smo potrdili, da spojine delujejo kot katalitični inhibitorji in z mikrotermoforezo (MST) pokazali vezavo na ATPazno domeno topo IIα. Sodelovali smo tudi z raziskovalci na tion catalysed by enzyme monoamine oxidase (MAO). By using multiscale simulation on the QM/MM level, we investigated the decomposition of noradrenaline, phenylethylamine and dopamine catalysed by MAO, elucidating kinetics of processes leading to neurodegeneration. We studied the influence of point mutations on the enzyme activity and computed the H/D kinetic isotope effect. We also calculated the nuclear quantum effect for the interaction between histamine and the histamine receptor H2. In collaboration with the research group from the University of Delhi, our furan-based benzene monocarboxylic acid derivatives were used in the validation of their newly developed one-pot assay that reconstructs the entire Mur pathway (from M. tuberculosis). These results also showed that furan-based derivatives are active on a variety of Mur ligases from different bacterial species and have the potential for multispectral action. In the segment of our anticancer research, we combined in silico and in vitro methods in a two-stage process to discover new inhibitors of topoisomerase IIα. A new class of H-indazole topo IIα inhibitors was discovered. With cleavage and ATPase activity assays, we were able to elucidate the mechanism of action; we proved that our compounds act as catalytic inhibitors. Binding studies with MicroScale Thermophoresis (MST) confirmed binding to the ATPase domain. 80 Letno poročilo 206 _ Annual Report 8

42 2 3. Študirali smo kinetiko procesov, ki vodijo k nevrodegeneraciji. 2. Aktivno mesto MAO A z molekulo feniletilamina in reaktivno skupino C H N5. Aminokislinski preostanek 335 smo mutirali iz Ile (divji tip encima) v Tyr (mutant). 3. Reprezentativna konformacija odkritega razreda inhibitorjev topoizomeraze IIɑ H-indazolov vezana v vezavnem mestu ATP med simulacijo molekulske dinamike (MD) in prikaz ključnih aminokislin, ki interagirajo z ligandom.. We studied the kinetics of processes responsible for neurodegeneration. 2. The active site of MAO A with the phenylethylamine substrate molecule and the reacting C H N5 moiety. The residue 335 subjected to mutation (Ile in the WT enzyme and Tyr in the mutant) is also indicated. 3. Representative MD snapshot of the discovered topoisomerase IIɑ inhibitors in its ATP binding site with the key interacting amino acid residues emphasised. Raziskovalci / Researchers Dr. Jernej Stare Doc. dr. Andrej Perdih Doktorski študenti / PhD Students Kaja Bergant Strokovni sodelavci in tehnično osebje / Technical Staff Deni Bačić Zaslužni raziskovalec / Researcher Emeritus akad. prof. dr. Dušan Hadži Fakulteti za kemijo in kemijsko tehnologijo pri preučevanju bifunkcionalnih nekovalentnih,3-diaminskih organokatalizatorjev, ki so osnovani na kafri kot kiralnem ogrodju, pirolidinu kot terciarnemu aminu in skvaramidu kot donorju dveh vodikovih vezi. S kvantnomehansko študijo smo razložili mehanizem enatioselektivnosti reakcij, kataliziranih s tem novim organokatalizatorjem. We also collaborated with researchers from the Faculty of Chemistry and Chemical Technology in Ljubljana in studying the highly efficient camphor-,3-diamine-derived squaramide organocatalyst. Its catalytic activity in Michael additions of,3-dicarbonyl nucleophiles to trans-β-nitrostyrene derivatives provides excellent enantioselectivities. Our joint research included a QM study that provided mechanistic insights into the source of observed enantioselectivity provided by the organocatalyst. Bibliografija 7 izvirnih znanstvenih člankov 2 pregledna znanstvena članka intervju 2 drugi učni gradivi 3 objavljeni povzetki znanstvenih prispevkov na konferencah (vabljena predavanja) 2 objavljenih povzetkov znanstvenih prispevkov na konferencah predavanje na tuji univerzi 2 prispevka na konferenci brez natisa vabljeno predavanje na konferenci brez natisa 2 diplomi magisterij doktorat uredništvo revij Bibliography Original Scientific Articles Review Articles Interview Other Educational Materials Published Scientific Conference Contributions Abstract (Invited Lectures) Published Scientific Conference Contribution Abstracts Invited Lecture at Foreign University Unpublished Conference Contributions Unpublished Invited Conference Lecture Undergraduate Theses Master s Thesis Doctoral Dissertation Journal Editorship 82 Letno poročilo 206 _ Annual Report 83

43 Odsek za kemijsko informatiko Department of Cheminformatics Vodja / Head prof. dr. Marjana Novič D03 Od podatkov do informacij in novih spoznanj Ključne dejavnosti Uvajanje kemometrije v raziskovalno in razvojno prakso. Modeliranje kemičnih lastnosti in procesov QSAR in mehanistični modeli. Razvoj in uveljavljanje metod umetnih nevronskih mrež v kemiji ter življenjskih vedah. Uporaba diskretne matematike v strukturni kemiji, QSAR, proteomiki in genomiki. Razvoj metodologij in programskih paketov za mehanistične ter izkustvene modele z namenom načrtovanja zdravilnih učinkovin, ocenjevanja toksičnosti in optimizacije materialov. Raziskave 3D-predstavitve kemične strukture za uporabo v QSAR. Izobraževanje na področju kemijske informatike in prenos znanja (industrija, projekti EU). Glavni dosežki v letu 206 V letu 206 smo zaključili evropski projekt PROSIL, katerega poglavitni cilj je bil razvoj metodologije za podporo pri izvajanju evropske zakonodaje REACH v industriji, ki proizvaja barvila in agrokemična sredstva. Razvili smo model za napoved vodne toksičnosti (za From Data to Information leading to New Insights Topic Areas The introduction of chemometrics to research and development. Modelling chemical properties and processes - QSAR and mechanistic models. The development and application of artificial neural networks in chemistry and life sciences. The application of discrete mathematics in structural chemistry, in QSAR studies, in proteomics and genomics. The development of methodologies and program packages for mechanistic and empirical models for drug design, assessment of toxicity, and material optimisation. The development of 3D representations of chemical structures for applications in QSAR. Education in cheminformatics and knowledge transfer (industry and EU projects). Important achievements in 206 In the framework of the LIFE+ PROSIL project, which ended in 206, we contributed to a methodology of support for the industry, which produces dyes and agrochemical substances, ribo črnoglavi pisanec, Pimephales promelas). Model smo razvili na podatkovni bazi 566 spojin, ki smo jih dobili iz podatkovne baze MED-Duluth in jih opisali s 472 deskriptorji D in 2D. Število deskriptorjev smo s pomočjo grupiranja in njihovih medsebojnih korelacij zmanjšali na 89 ter jih uporabili za modeliranje s protitočnimi umetnimi nevronskimi mrežami. Izbor deskriptorjev in optimizacija parametrov, uporabljenih pri učenju modela, sta bila narejena z genetskim algoritmom. Zaradi zahtevnosti optimizacije je bil algoritem prilagojen za vzporedno izvajanje na računalniškem centru Kemijskega inštituta. Izbrani model bo dostopen na internetu znotraj platforme VEGA (Drgan et al. 206). Preiskovali smo učinek dodatkov na lastnosti staranih bitumnov. Kot pomlajevalec bitumna smo uporabili pirolizni kondenzat, pridobljen iz drobljenih odpadnih pnevmatik. Bitumen tipa B50/70 smo najprej starali po standardiziranih metodah RTFOT in PAV. Vpliv pomlajevalcev, ki so bili dodani v koncentracijah 3 %, 5 %, 0 % in 20 %, smo ovrednotili s standardnimi mehanskimi in reološkimi preiskavami. Rezultati so potrdili primernost pomlajevalca za aktivacijo staranih bitumnov (Avsenik et al. 206). Avtolizin E (AtlE) je encim, ki igra pomembno vlogo pri delitvi in rasti bakterij ter predstavlja potencialno tarčo za razvoj antibiotikov. Njegovo 3D-strukturo smo preiskali z različnimi in silico orodji z namenom, da bi našli ustrezna katalitska ali vezavna mesta. Z različnimi metodami smo našli nekaj mest, ki bi lahko in the implementation of REACH legislation. We developed a model for the prediction of aquatic toxicity (for the fish species fathead minnow, Pimephales promelas). A model was developed using a dataset of 566 compounds obtained from the MED-Duluth database. The compounds were initially described with 472 D and 2D descriptors. The number of descriptors was reduced to 89 using the grouping of the descriptors and their intercorrelations. The remaining descriptors were used for modelling with counter-propagation artificial neural networks. The selection of the descriptors and the optimisation of the parameters used for training the model were made using a genetic algorithm. Due to computationally demanding optimisation, we adapted the genetic algorithm for parallel processing on the HPC centre at National Institute of Chemistry. The selected model will be available on the internet within the VEGA platform. (Drgan et al., 206). We studied the effect of additives on the properties of aged bitumen. Pyrolitic condensate prepared from scrap tire crumbs was used as a rejuvenator. Bitumen B50/70 was first aged using the standard methods RTFOT ( rolling thin film oven test ) and PAV ( accelerated pressure ageing ). The effect of the rejuvenator, which was added in concentrations of 3, 5, 0 and 20%, was evaluated using standard mechanical and rheological methods. The results confirmed the suitability of the rejuvenator for the activation of the aged bitumen (Avsenik et 84 Letno poročilo 206 _ Annual Report 85

44 3 2. Shematski prikaz algoritma za optimizacijo protitočne umetne nevronske mreže. Shema prikazuje način izvajanja optimizacije z genetskim algoritmom na skupini računalnikov. Glavni proces (Proces 0) razporeja izračune (gradnja modelov in izračun optimizacijskega kriterija za vsak kromosom v populaciji), zbira rezultate izračunov in razvrsti kromosome/modele glede na optimizacijski kriterij in generira nove kromosome. Ostali procesi potem prejmejo nove kromosome ter opravijo potrebne izračune za te kromosome, kot jih razporedi glavni proces. Kot optimizacijski kriterij uporabimo napako pri napovedi modela ali napako pri k-kratnem navzkrižnem preverjanju. V okviru LIFE+ projekta PROSIL smo prikazani algoritem uporabili pri optimizaciji modela za napovedovanje toksičnosti do rib. 2. Struktura avtolizina E. F6, G62 in Y224 so potencialna vezavna mesta za ligande, E38 pa je potencialno mesto za katalizo razcepa substrata. 3. Naslovnica monografske publikacije»solved and Unsolved Problems of Structural Chemistry«, objavljene pri CRC Press, Taylor & Francis group.. Schematic representation of the algorithm for the optimisation of the counter-propagation artificial neural network. The scheme shows how the optimisation can be run on a grid of computers. The master process (Process 0) distributes calculations (model creation and calculation of the optimisation criterion for each chromosome in a population), collects the results and generates new chromosomes. Other processes then receive new chromosomes and perform calculations for the chromosomes as assigned by the master process. As the optimisation criterion, we can use the prediction error of the model or the error obtained for k-fold cross-validation. In the framework of the LIFE+PROSIL project, we used the algorithm for the optimisation of the model for the prediction of acute toxicity towards fish. 2. The structure of autolysin E. F6, G62 and Y224 are potential binding sites for ligands, while E38 represents a potential place for the catalysis of substrates. 3. The cover page of the monograph»solved and Unsolved Problems of Structural Chemistry«published by CRC Press, Taylor & Francis group. Raziskovalci / Researchers Dr. Marjan Vračko Grobelšek Dr. Viktor Drgan Dr. Natalja Fjodorova Dr. Marjan Tušar Dr. Špela Župerl Dr. Nikola Minovski Dr. Katja Venko Dr. Jure Borišek Doktorski študenti / PhD Students Lidija Avsenik Alja Plošnik Tjaša Tibaut Anja Kolarič Janja Kocjan Zaslužni raziskovalec / Researcher Emeritus prof. dr. Jure Zupan 86 Letno poročilo 206 _ Annual Report 87

45 bila potencialne tarče (E38 kot katalitski residuum in F6, G62 ter Y224 kot vezavna mesta). Ligandi, ki bi se vezali na ta mesta, bi bili kandidati za nove antibiotike (Tibaut et al. 206). Skupaj s sodelavci Fakultete za kmetijstvo in biosistemske vede UM smo razvili in objavili modela (linearni in model s protitočnimi nevronskimi mrežami) za oceno pridelka suhe krme. Model je bil zgrajen na podatkih, ki so jih več kot desetletja zbirali na omenjeni fakulteti (Majkovič et al. 206). Sodelovali smo pri obširni monografski publikaciji»rešeni in nerešeni problemi strukturne kemije«(randić et al. 206). al., 206). Autolysin E (AtlE) is an enzyme that plays an important role in the division and growth of bacteria. It presents a potential target for the development of antibiotics. Its 3D structure was investigated using different in silico tools with the aim of finding suitable catalytic and binding sites. Using different methods, we found sites that could be potential targets (E38 as catalytic residue, and F6, G62 and Y224 as binding sites). The ligands that would bind to these sites could be candidates for new antibiotics (Tibaut et al., 206). In cooperation with the Faculty of Agriculture and Life Sciences (University of Maribor), we developed and published models for the estimation of herbage dry matter yield. The models based on linear and counter-propagation neural network methods were built using the data set that the mentioned Faculty collected over decade (Majkovič et al., 206). We participated in a comprehensive monograph»solved and Unsolved Problems of Structural Chemistry«published by CRC Press, Taylor & Francis group. Bibliografija Bibliography izvirnih znanstvenih člankov pregledni znanstveni članek strokovni članek samostojna znanstvena sestavka ali poglavji v monografskih publikacijah znanstvena monografija strokovna monografija drugo učno gradivo objavljeni znanstveni prispevek na konferenci (vabljeno predavanje) objavljenih znanstvenih prispevkov na konferencah objavljenih povzetkov znanstvenih prispevkov na konferencah prispevek na konferenci brez natisa diplome magisterija doktorata uredništev revij Original Scientific Articles Review Article Professional Article Independent Scientific Component Parts or Chapters in Monographs Scientific Monograph Professional Monograph Other Educational Material Published Scientific Conference Contribution (Invited Lecture) Published Scientific Conference Contributions Published Scientific Conference Contribution Abstracts Unpublished Conference Contributions Undergraduate Theses Master s Theses Doctoral Dissertations Journal Editorships 88 Letno poročilo 206 _ Annual Report 89

46 Odsek za analizno kemijo Department of Analytical Chemistry Vodja / Head dr. Samo Hočevar D04 Razvoj analiznih orodij in pristopov za elementno oslikovanje, elektrokemijsko senzoriko in atmosferske študije Ključne dejavnosti. Elektroanalizna kemija in senzorji razvoj (mikro)elektrod in elektrokemijskih senzorjev; razvoj senzorskih materialov in študij elektrodnih procesov; razvoj elektrokemijskih metodologij in študije uporabe. 2. Elementno oslikovanje in kemijska karakterizacija razvoj protokolov 2D/3D-elementnega oslikovanja z lasersko ablacijo sklopljeno z elementno masno spektrometrijo (LA- ICP-MS); razvoj metodologij za analizo sledov elementov in organskih zvrsti na področjih okolja, biomedicine in raziskave materialov. 3. Atmosferska kemija študij kemijskih procesov v atmosferskih aerosolih; fizikalno-kemijska karakterizacija po velikostnih frakcijah ločenih atmosferskih (nano)aerosolov; razvoj novih metod za karakterizacijo (no- Development of analytical tools and approaches for elemental imaging, electrochemical sensing and atmospheric studies Topic Areas. Electroanalytical Chemistry and Sensors development of (micro)electrodes and electrochemical sensors; development of sensing materials and study of electrode interfacial processes; development of electrochemical methodologies and application studies. 2. Elemental Imaging and Chemical Characterization development of 2D/3D-elemental imaging protocols using laser ablation hyphenated with elemental mass spectrometry (LA- ICP-MS); development of methodologies for the analysis of trace elements and organic species in environmental, biomedical and material research. 3. Atmospheric Chemistry study of chemical processes in atmospheric aerosols; physico-chemical characterization of sizesegregated atmospheric (nano)aerosols; development of novel methods for (outdoor & indoor) nanoparticle characterization and study of their transformation. tranjih in zunanjih) nanodelcev in študij njihovih pretvorb. Nudimo tudi: zahtevnejše kemijske analize in študije priprave vzorcev za industrijske in druge partnerje s poudarkom na razvoju ter izboljšavi analiznih metodologij za vse vrste vzorcev (okoljskih, industrijskih, bioloških, farmacevtskih idr.) in merjenje praktično vseh elementov ter številnih anorganskih in organskih ionov; izobraževanje in usposabljanje dodiplomskih in dodoktorskih študentov ter podoktorskih raziskovalcev. Več informacij je na voljo na naši spletni strani: Glavni dosežki v letu 206. Razvili smo nov, enostaven in poceni elektrokemijski senzor za merjenje formaldehida v zraku. Senzor je sestavljen iz sistema treh tiskanih elektrod, ki smo jih modificirali s pri nas sintetiziranim nanostrukturiranim hidrazinijevim poliakrilatom; ta služi kot (i) elektrolit, (ii) akumulacijski in (iii) derivatizacijski medij. Senzor izkazuje linearen odziv v preiskovanem koncentracijskem območju 4 6 ppm plinastega formaldehida pri 20 min akumulacije. Pri daljših časih akumulacije smo lahko detektirali tudi koncentracije formaldehida nižje od We also provide: special chemical analysis and sample preparation studies for industrial and other partners with emphasis on the development and adaptation of analytical methodologies for all kinds of samples (environmental, industrial, biological, pharmaceutical, etc.) and measurement of practically all elements and numerous inorganic and organic ions; education and supervision of under-graduate and post-graduate students, and post-doctoral guest-fellows. For more information, please visit our website: Important achievements in 206. We developed a novel, simple and inexpensive electrochemical sensor for measuring formaldehyde in gaseous phase. The sensor is composed of a three-electrode screen printed system modified with in-our-laboratory synthesized nanostructured hydrazinium polyacrylate serving as (i) electrolyte, (ii) accumulation, and (iii) derivatization medium. It exhibits linear response in the examined concentration range of 4-6 ppm gaseous formaldehyde after 20 min accumulation; sub-ppm concentration levels of formaldehyde could be detected when the exposure time was extended (in Sensors and Actuators B: Chemical). 90 Letno poročilo 206 _ Annual Report 9

47 3 ppm (v Sensors and Actuators B: Chemical). 2. V okviru študij tankoslojne bizmutove elektrode (BiFE) smo preiskovali anodno stripping voltametrično merjenje prostega srebra (Ag+) v prisotnosti srebrovih nanodelcev, ki so stabilizirani s polivinilpirolidonom. Kljub temu da se srebro oksidira pri bolj pozitivnih napetostih kot bizmut, smo ugotovili in pokazali, da je in-situ pripravljena BiFE odličen senzor za določevanje nizkih koncentracij Ag+, tudi v 2. In the frame of bismuth film electrode (BiFE) study, we investigated anodic stripping voltammetric measurement of free silver (Ag+) in the presence of silver nanoparticles stabilized with polyvinylpyrrolidone. Although the silver is oxidized at more positive potentials then bismuth, we discovered and demonstrated, that the in-situ prepared BiFE represents an excellent sensor for measuring low concentrations of Ag+, also in the presence of. Kompaktni tiskani trielektrodni senzorski sistem modificiran s hidrazinijevim poliakrilatom; reakcijska shema detekcije formaldehida; ciklovoltametrična meritev v prisotnosti formaldehida v plinski fazi (rdeča krivulja) in brez formaldehida (črna krivulja). 2. Metil(nitro)kateholi v kondenzirani fazi ozračja; izvori, prisotnost, transformacije v vodni fazi in vpliv na klimatske spremembe. 3. Ugotavljanje lateralne ločljivosti LA-ICP-MS sistema s pomočjo vitrualnega rasteriranja kvadratne mreže, na osnovi dvostopenjskega konvolucijskega postopka z uporabo empiričnih/eksperimentalnih vhodnih podatkov, ki simulirajo LA vzorčenje, prenos aerosola ter ICP-MS meritev. Modulacijska prenosna funkcija (MTF), ki izhaja iz virtualnega rasteriranja kvadratne mreže, opisuje kvaliteto oslikovanja LA-ICP-MS sistema, iz katere določimo lateralno ločljivost sistema (R).. Compact three-electrode screen-printed sensor modified with hydrazinium polyacrylate; reaction scheme of formaldehyde detection; cyclic voltammetric measurement in the presence of formaldehyde in gaseous phase (red line) and without formaldehyde (black line). 2. Methyl(nitro)catechols in atmospheric condensed phase; their sources, abundance, aqueous-phase transformations and impact on climate change. 3. Demonstration of the retrieval of the LA-ICP-MS lateral resolution obtained from virtual mapping of square-wave gratings based on a two-step convolution procedure using empirical/experimental input data that simulate LA sampling, aerosol transfer and ICP-MS measurement, respectively. The modulation transfer function (MTF), associated with virtual mapping of the square-wave gratings, is a measure of the LA-ICP-MS imaging performance from which the lateral resolution (R) can be derived. 2 prisotnosti stabilizatorja, kar omogoča njegovo potencialno uporabo za študij topnosti srebrovih nanodelcev v okviru nanotoksikoloških raziskav (v Electrochimica Acta). 3. Kvaliteta elementnih slik, ki jih dobimo z eksperimentalnim linijskim oslikovanjem z LA-ICP-MS je odvisna od časovnega odziva celotnega eksperimentalnega sistema, nastavitev oslikovanja in zajemanja podatkov, ter od vzorca samega. Da bi ovrednotili degradacijo slike, potrebujemo ablacijske tarče v obliki periodičnih mrež, s katerimi po ablaciji ugotavljamo prenosno funkcijo sistema (MTF modulation transfer function); s pomočjo MTF nadalje določimo lateralno ločljivost sistema kot funkcijo kontrasta in šuma elementne slike. Ker takšne ablacijske tarče niso na voljo, še posebej ne z ustrezno sestavo matrice, smo s simulacijo v dveh korakih (diskretni časovnokonvolucijski algoritem na podlagi empiričnih in eksperimentalnih podatkov) virtualno ablirali računalniško generirane periodične mreže. Tako smo posredno ugotovili eksperimentalno lateralno ločljivost sistema za izbran matriks, ne da bi opravili dejansko oslikovanje periodične mreže (v Analytical Chemistry). 4. Z mikroanalizno tehniko LA-ICP-MS smo analizirali prereze slik iz 7. stoletja z namenom preučevanja multielementne sestave modrega pigmenta (smalt). Smalt so delci kalij-silikatnega stekla velikosti 5 30 μm, obarvanega modro s kobaltovimi ioni, ki jih pogosto spremljajo tudi drugi elementi, predvsem As, Ni, Bi in Fe. Smalt lahko zaradi vpliva medija, v katerega je vgrajen, kemijsko degradira, predvsem zaradi izluževanja kalija, kar povzroči izgubo barve in fizikalno-kemijske spremembe v pigmentnem sloju. Poleg poudarka mikroanaliznega potenciala LA-ICP-MS za multielementno oslikovanje (od sledov, makro in do glavnih komponent hkrati) smalta v presekih slik, predstavlja to delo tudi statistične protokole za ugotavljanje izvora kobaltovih rud, mehanizmov propadanja in konservatorskega stanja treh preiskovanih slik (v Microchemical Journal). 5. V okviru atmosferskih študij smo se osredotočili na identifikacijo, prisotnost, stabilizer; this allows its potential application for measuring silver nanoparticle dissolution in the frame of nanotoxicological studies (in Electrochimica Acta). 3. The quality of elemental image maps obtained via experimental line scan-based LA- ICP-MS is a function of the temporal response of the entire experimental system, governed by the design of the system and mapping, and acquisition conditions used, next to the characteristics of the sample. To quantify image degradation, ablation targets with periodic gratings are required for the construction of a modulation transfer function (MTF) and subsequent determination of the lateral resolution as a function of image noise and contrast. Since such ablation targets, with suitable matrix composition, are not readily available, computer-generated periodic gratings were virtually ablated via a computational process based on a two-step discrete-time convolution procedure using empirical/experimental input data. This facilitates indirect retrieval of the experimental lateral resolution for the matrix targeted without performing actual line scanning on periodic gratings (in Analytical Chemistry). 4. Microanalysis by LA-ICP-MS was performed on 7th century paint cross-sections to study the multi-elemental composition of the blue pigment smalt. Smalt is a potassium silicate glass in the form of 5-30 μm sized particles, colored blue by cobalt ions which are often associated with other elements such as As, Ni, Bi and Fe. Due to interactions between pigment and medium, smalt often deteriorates as a result of potassium leaching, thus losing its color and causing chemical and physical changes in the paint film. Next to highlighting the microanalytical potential of laser ablation-icp-ms for multi-elemental mapping (on trace, minor and major element levels simultaneously) of smalt in paint cross-sections, this work elaborated (statistical) data processing protocols for elucidation of cobalt ore provenance, possible deterioration mechanisms and the conservation state of the three examined paintings (in Microchemical Journal). 92 Letno poročilo 206 _ Annual Report 93

48 optične lastnosti, nastanek in staranje nitroaromatskih spojin, še posebej tistih v atmosferski kondenzirani fazi. Gre namreč za stabilne obarvane komponente aerosolov v ozračju, sledilce sekundarnih organskih aerosolov (SOA) s pomembnim doprinosom k atmosferskemu rjavemu ogljiku in neposrednim ter posrednim vplivom na klimatske spremembe. S pomočjo LC/ESI-MS/MS in komercialno dostopnih ter na novo sintetiziranih standardov smo detektirali 3-metil-5-nitrokatehol in prvič (med drugimi) tudi 3-metil-4-nitrokatehol v PM2 vzorcih. V nasprotju z dosedanjimi dognanji 3-metil-6-nitrokatehola nismo zaznali. Ocenili smo napako, ki bi jo storili, če bi 4-nitro derivat narobe identificirali kot njegov 6-nitro analog v atmosferskih aerosolih, in predlagali previdnost pri vrednotenju literature iz področja metilnitrokateholov (v Environmental Science & Technology). 5. In the most recent atmospheric research we have focused on the identification, abundance, optical properties, formation and aging processes of nitroaromatic compounds, especially in atmospheric condensed phase. These are stable absorbing components of atmospheric aerosols and thus secondary organic aerosol (SOA) tracers and major contributors to atmospheric brown carbon with direct and indirect impact on radiative forcing. Using commercial and de novo synthesized authentic standards we detected 3-methyl-5-nitrocatechol and, for the first time (among others), 3-methyl-4-nitrocatechol by LC/ESI-MS/ MS in atmospheric PM2 samples. In contrast to previous reports, 3-methyl-6-nitrocatechol was not observed. The magnitude of error one could make by incorrectly identifying 4-nitro derivate as 6-nitro analogue in ambient aerosols was assessed, suggesting the importance of evaluating the literature regarding methylnitrocatechols with special care (in Environmental Science & Technology). Raziskovalci / Researchers dr. Bojan Budič dr. Johannes T. van Elteren dr. Irena Grgić dr. Vasko Jovanovski dr. Ana Kroflič dr. Eva Menart dr. Martin Šala dr. Vid Simon Šelih dr. Sanja Frka Milosavljević Zaslužni raziskovalec / Researcher Emeritus dr. Božidar Ogorevc Doktorski študenti / PhD Students Marta Debeljak Kristijan Vidović Tanja Zidarič Strokovni sodelavci in tehnično osebje / Technical Staff Breda Novak Iris Štucin Lidija Živec Bibliografija 2 izvirnih znanstvenih člankov pregledni znanstveni članek 2 samostojna znanstvena sestavka ali poglavji v monografskih publikacijah objavljeni povzetek znanstvenega prispevka na konferenci (vabljeno predavanje) 28 objavljenih povzetkov znanstvenih prispevkov na konferencah 2 predavanji na tujih univerzah 3 prispevki na konferencah brez natisa vabljeno predavanje na konferenci brez natisa diploma magisterij doktorat 2 uredništvi revij Bibliography Original Scientific Articles Review Article Independent Scientific Component Parts or Chapters in Monographs Published Scientific Conference Contribution Abstract (Invited Lecture) Published Scientific Conference Contribution Abstracts Invited Lectures at Foreign Universities Unpublished Conference Contributions Unpublished Invited Conference Lecture Undergraduate Thesis Master s Thesis Doctoral Dissertation Journal Editorships 94 Letno poročilo 206 _ Annual Report 95

49 Odsek za okoljske vede in inženirstvo Department for Environmental Sciences and Engineering Vodja / Head dr. Albin Pintar D05 Okolje in tehnologija z roko v roki Ključne dejavnosti Bringing together the environment and technology Topic Areas se odvijajo na površini katalizatorjev med kemijsko pretvorbo. Glavni dosežki v letu 206 try, methane and carbon dioxide valorisation. Research is aimed at understanding the chemistry of these transformations occurring over the catalyst s surface. Raziskovalno delo v Odseku za okoljske vede in inženirstvo je zasnovano v dveh skupinah: Sodobni katalitski procesi za čiščenje odpadnih voda (vodja: dr. Albin Pintar). V raziskovalni skupini razvijamo nanokristalinične in nanostrukturirane heterogene katalizatorje, zlasti na osnovi titanovega dioksida, ki jih uporabljamo v naprednih oksidacijskih procesih (kot so npr. heterogena fotokatalitska oksidacija, katalitska mokra oksidacija in oksidacija z vodikovim peroksidom) za učinkovito odstranjevanje prioritetnih organskih onesnažil iz odpadnih voda. Sinteza katalizatorjev temelji na določevanju kvantitativnih strukturno-aktivnostnih in strukturno-selektivnostnih odvisnosti. Ukvarjamo se tudi z načrtovanjem sodobnih reaktorskih sistemov za vodenje teh procesov. Razvoj heterogenih katalizatorjev (vodja: dr. Petar Djinović). Raziskovalna skupina se ukvarja z razvojem večfunkcijskih nanostrukturiranih katalizatorjev za aktivacijo vezi C-H v alkanih, reakcije parcialne oksidacije, kemije sinteznega plina ter valorizacije metana in ogljikovega dioksida. Cilj raziskav je razumevanje procesov, ki Research work in the Department for Environmental Sciences and Engineering has been conducted in two groups: advanced catalytic processes for wastewater treatment (group leader: Dr. Albin Pintar). The research group develops nanocrystalline and nanostructured heterogeneous catalysts, preferably based on titanium dioxide, which are used in advanced oxidation processes (such as heterogeneous photocatalytic oxidation, catalytic wet air oxidation and wet peroxide oxidation) for the efficient removal of priority organic pollutants from wastewater. The synthesis of catalysts is based on quantitative determination of structureactivity and structure-selectivity relationships. We also perform research regarding the design of advanced reactor systems aiming to conduct these processes. heterogeneous catalysis engineering (group leader: Dr. Petar Djinović). The main focus of the group is the design and development of multi-functional nanostructured catalysts applicable to the following fields: C-H bond activation in light alkanes, partial oxidation, syngas chemis- Poslanstvo Odseka za okoljske vede in inženirstvo je razvijanje sodobnih procesov za čiščenje voda in katalitskih, mikrobnih ter encimskih procesov na področju energetike in produkcije spojin z visoko dodano vrednostjo. Na področju razvoja sodobnih procesov za čiščenje odpadnih voda se ukvarjamo s sintezo heterogenih katalizatorjev, apliciranih v čistilnih postopkih, kot so heterogena fotokatalitska oksidacija, katalitska mokra oksidacija in oksidacija z vodikovim peroksidom. V letu 206 smo razvili nanokristalinične in nanokompozitne fotokatalizatorje, ki vsebujejo bodisi TiO 2 in WO 3 bodisi TiO 2 in grafen oksid. Takšni fotokatalizatorji omogočajo boljšo separacijo in migracijo nabojev v njihovi strukturi in s tem večjo učinkovitost (aktivnost, mineralizacija) za odstranjevanje prioritetnih organskih onesnažil iz odpadnih voda. Rezultati raziskav so objavljeni v uglednih revijah Applied Catalysis B: Environmental (Žerjav et al., doi: 0.06/j.apcatb ) in Nanoscale (Žerjav et al., doi: 0.039/C7NR00704C). Z uporabo in situ ter operando DRIFTS in UV/VIS spektroskopskih tehnik smo določili reakcijski mehanizem katalitske razgradnje dušikovega (I) oksida (N 2 O) na površini Important achievements in 206 The mission of the Department for Environmental Sciences and Engineering is to develop modern processes for water treatment along with catalytic, microbial and enzymatic processes in energy and the production of high added-value compounds. Regarding the development of advanced processes for wastewater treatment, we are synthesising heterogeneous catalysts to be applied in water treatment processes, such as heterogeneous photocatalytic oxidation, catalytic wet air oxidation and wet peroxide oxidation. In 206, we developed nanocrystalline and nanocomposite photocatalysts containing either TiO 2 and WO 3, or TiO 2 and graphene oxide. Such photocatalysts allow the better separation and migration of charges in their structure, which in turn facilitates increased efficiency (activity, mineralisation) concerning the removal of priority organic pollutants from waste water. The research results are published in the journals Applied Catalysis B: Environmental (Žerjav et al., doi: 0.06/j.ap- 96 Letno poročilo 206 _ Annual Report 97

50 nanokristaliničnih in nanostrukturiranih CuO/ CeO 2 katalizatorjev. Izsledki teh raziskav se zelo dobro ujemajo s kinetičnimi poskusi, opravljenimi v diferencialnem reaktorju s strnjenim slojem katalizatorja. Rezultati raziskave so objavljeni v ugledni reviji Applied Catalysis B: Environmental (Zabilskiy et al., doi: 0.06/j.apcatb ). catb ) and Nanoscale (Žerjav et al., doi: 0.039/C7NR00704C). Using in situ and operando DRIFTS and UV/ VIS spectroscopic techniques, we determined the reaction mechanism of the catalytic decomposition of nitrogen (I) oxide (N 2 O) on the surface of nanocrystalline and nanostructured CuO/CeO 2 catalysts. The results of these studies agree very well with kinetic experiments carried out independently in the catalytic differential fixed-bed reactor. The research results are published in the reputable journal Applied Catalysis B: Environmental (Zabilskiy et al. doi: 0.06/j.apcatb ). 2. Grafični prikaz kompozita, sestavljenega iz TiO 2 nanožičk in reduciranega grafen oksida, ter predlagani mehanizem za izboljšano separacijo in migracijo nabojev v materialu (Žerjav et al., doi: 0.039/C7NR00704C). 2. In situ in operando spektroskopske tehnike, s katerimi razpolagamo na Odseku za okoljske vede in inženirstvo, so bile uspešno aplicirane za določitev reakcijskega mehanizma katalitskega razpada N 2 O na površini CuO/CeO 2 katalizatorjev (Zabilskiy et al., doi: 0.06/j.apcatb ).. Graphic illustration of a composite consisting of TiO 2 nanorods and reduced graphene oxide, and the proposed mechanism for improved charge separation and migration (Žerjav et al., doi: 0.039/C7NR00704C). 2. In situ and operando spectroscopic techniques available in the Department for Environmental Sciences and Engineering were successfully applied to determine the reaction mechanism of catalytic N 2 O decomposition on the surface of CuO/CeO 2 catalysts (Zabilskiy et al., doi: 0.06/j.apcatb ). Raziskovalci / Researchers dr. Muhammad Shahid Arshad dr. Magda Cotman dr. Petar Djinović dr. Jasmina Kerčmar dr. Tatjana Tišler dr. Maxim Zabilskiy dr. Gregor Žerjav dr. Boštjan Erjavec Bibliografija izvirnih znanstvenih člankov strokovni članek drugo učno gradivo objavljeni povzetki znanstvenih prispevkov na konferencah (vabljena predavanja) objavljenih povzetkov znanstvenih prispevkov na konferencah predavanja na tujih univerzah prispevka na konferencah brez natisa vabljeno predavanje na konferenci brez natisa končnih poročil o rezultatih raziskav elaborat, predštudija, študija doktorat uredništvi revij Doktorski študenti / PhD Students Nina Drašinac Petra Muri Janvit Teržan Strokovni sodelavci in tehnično osebje / Technical Staff Roland F. Boudry Špela Božič Jelka Grdadolnik Katja Perc Bibliography Original Scientific Articles Professional Article Other Educational Material Published Scientific Conference Contribution Abstracts (Invited Lectures) Published Scientific Conference Contribution Abstracts Invited Lectures at Foreign Universities Unpublished Conference Contributions Unpublished Invited Conference Lecture Final Research Reports Treatise, Preliminary Study, Study Doctoral Dissertation Journal Editorships 98 Letno poročilo 206 _ Annual Report 99

51 Odsek za prehrambeno kemijo Department of Food Chemistry Vodja / Head dr. Irena Vovk D06 Kako dobra je naša hrana? Ključne dejavnosti Raziskovalno in razvojno delo odseka za prehrambeno kemijo je usmerjeno predvsem v študij spojin naravnega izvora, za katere obstajajo ugotovitve, da imajo koristen vpliv na človeški (in živalski) organizem, vendar njihovo proučevanje tudi v svetu še traja. Naše dejavnosti obsegajo: razvoj validiranih analiznih metod, večinoma kromatografskih, za potrebe raziskovalnega dela in za potrebe naročnikov iz industrije in drugih institucij; izolacijo spojin iz naravnih materialov, njihovo identifikacijo s pomočjo kromatografskih in spektroskopskih tehnik; pripravo novih oblik naravnih biološko aktivnih spojin, s katerimi se poveča obstojnost teh spojin in se spremenijo nekatere druge lastnosti, ter karakterizacijo teh novih materialov; razvoj novih prehranskih dopolnil in njihovo vrednotenje; izvajanje analiz s področja analitike živil, prehranskih dopolnil, zdravil in bioloških vzorcev. Glavni dosežki v letu 206 Razvili smo LC-ESI-MS metodo za presejalne analize lipidov v vzorcih maščob z reverznofazno kromatografijo, na osnovi tvorbe liti- How»good«is our food? Topic Areas Research and development activities of the Department of Food Chemistry are primarily focused on studies of compounds from natural sources, which have a beneficial effect on the human (and animal) organism, but they are still under investigation in the world. Our activities include: development of validated analytical methods, mainly chromatographic, for research as well as for the clients from industry and other institutions; isolation of compounds from natural materials, their identification by means of chromatographic and spectroscopic techniques; preparation of new forms of natural biologically active compounds that enhance the stability of these compounds and change certain other properties, and characterization of these new materials; development of new food supplements and their evaluation; analysis of foods, food supplements, medicines and biological samples. Important achievements in 206 We developed an LC-ESI-MS screening reversed-phase method for lipid analysis of fatty jevih aduktov z gliceridi. Z metodo je možno celostno vrednotenje vzorcev brez poseganja po zahtevnejših, dvodimenzionalnih kromatografskih tehnikah. Med drugim je s to metodo možno ugotavljanje potvorb rastlinskih olj (npr. bučnega, oljčnega itd). Preko ne-ciljanega pristopa smo kot prvi razvili dve komplementarni silikagelni HPTLC metodi (HPTLC-denzitometrija in HPTLC MS/(MS)) za karakterizacijo fizalinov v neprečiščenih rastlinskih ekstraktih, pri čemer je razvoj metod temeljil na optimizaciji separacije fizalinov, prisotnih v navadnem volčjem jabolku (Physalis alkekengi L.). Nadalje smo v sklopu HPTLC MS/(MS) metode s TLC-MS vmesnikom vzporedno sklopili 2 različna masna analizatorja (trojni kvadrupol in ionsko past). Gre za inovativno sklopitev, o kateri še niso poročali in ima velik pomen za napredek same (HP)TLC MS tehnike. Poleg tega je ta sklopitev povečala verodostojnost pridobljenih rezultatov ter omogočila detekcijo tudi manj zastopanih fizalinov in celo določitev posameznih tipov fizalinov. Razvili smo prve HPTLC-MS n metode na silikagelu za določanje flavan-3-olov in B-tip proantocianidinov do dekamerov, s katerimi smo v korenikah invazivne tujerodne vrste japonski dresnik (Fallopia japonica Houtt.) prvi v svetu identificirali iz skupine proantocianidinov trimere, trimer galate, pentamere, pentamer galate, heksamere, heksamer galate, heptamere, oktamere in dekamere. Te metode omogočajo tudi identifikacijo stilbenov in antrakinonov. samples, based on lithium adduct formation with glycerides. A comprehensive evaluation of samples is possible without using more elaborate, two-dimensional techniques. The method also allows for adulteration screening of edible oils (e.g. pumpkin, olive etc.). For the first time 2 complementary silica gel HPTLC methods (HPTLC-densitometry and HPTLC MS/(MS)) were developed via nontargeted approach for characterization of physalins in crude plant extracts, where method development was based on optimization of separation of physalins present in Chinese lantern (Physalis alkekengi L.). As a part of HPTLC MS/(MS) method, simultaneous hyphenation of two distinctive mass analyzers (ion trap and a triple quadrupole) with TLC-MS interface was performed. This innovative hyphenation is of great importance for the progress of (HP)TLC MS technique, since there are no reports in the literature on this subject. Furthermore, the hyphenation improved the certainty of the obtained results and enabled detection of low abundant physalins as well as determination of physalin types. We developed first HPTLC-MS n methods on silica gel for identification of flavan-3-ols and B-type proanthocyanidins up to decamers, by which for the first time trimers, trimer gallates, tetramer gallates, pentamers, pentamer gallates, hexamers, hexamer gallates, heptamers, octamers, nonamers, and decamers were identified in rhizomers of invasive alien species Japanese knotweed (Fallopia japonica Houtt.). These methods enable identification 00 Letno poročilo 206 _ Annual Report 0

52 3 2 LLL standard OLL PLL standard OLL OLL OOO OOO SOO PnSL POO PSLn MOO MSO Time (min) standard standard standard standard R F m/z Relative Abundance Less intense peaks due to sunflower oil addition! Time (min) m/z m/z Relative Abundance R F m/z 289. R F = R 00 F = R 00 F = m/z R F = R F = 0.35 R F = m/z m/z R 00 F = R F = 0.6 R F = R F = A B C D Relative Abundance Relative Abundance m/z m/z m/z m/z m/z m/z Optimizirali smo postopek ekstrakcije na trdni fazi (SPE) za prečiščevanje sulfatnih derivatov triterpenoidov (6) in fitosterolov (2). Z uporabo acetonitrila in 5 % mravljične kisline smo na WAX (angl. Weak Anion exchange) sorbentu so dosegli zadovoljiv izkoristek ekstrakcije. Uporabnost te metode smo potrdili z derivatiziranimi ekstrakti kutikularnih voskov zelejave in uporabo HPLC-MS/MS metode razvite v našem odseku. V sodelovanju s St Andrews University smo z namenom študije mehanizma ireverzibilne inhibicije pripravili večjo količino adukta med monoaminsko oksidazo A in propargilaminskim zaviralcem. Na podlagi analiz teh vzorcev z uporabo separacijskih, spektroskopskih in računskih metod ter skladno z že znanimi podatki iz literature smo predlagali nov mehanizem delovanja. Ta bo v prihodnje omogočal racionalno načrtovanje zdravil novih generacij, ki bodo bolj učinkovite in specifične. stilbenes and anthraquinones. Solid phase extraction (SPE) procedure for purification of triterpenoid (8) and phytosteol (2) sulfate derivatives was optimized. Acceptable recovery of extraction was achieved with acetonitrile and 5% formic acid on WAX (Weak Anion exchange) sorbent. The applicability of the method was tested with different derivatized vegetable cuticular waxes using our HPLC-MS/MS method. In collaboration with St Andrews University we prepared a large amount of adduct between monoamine oxidase A and a propargylamine inhibitor with the purpose to study the irreversible inhibition mechanism. Based on the analyses of these samples using separation, spectroscopic and computational methods and in accordance with already known data from the literature, we proposed a new mechanism of action. In the future this knowledge will enable a rational design of new generation drugs, which should be more effective and specific.. HPTLC-denzitometrična in HPTLC MS/MS karakterizacija fizalinov v različnih delih rastline Physalis alkekengi L., požete v različnih stopnjah zrelosti. 2. 2D Prikaza LC-ESI kromatograma lipidov pristnega (levo) in potvorjenega (desno) bučnega olja. 3. MS spektri proantocianidov (odebeljeni m/z) po separaciji ekstrakta rizomov japonskega dresnika na HPTLC silikagelni plošči. Kromatogrami so dokumentirani pred (366 nm (A), bela svetloba (B)) in po derivatizaciji (366 nm (C), bela svetloba (D)). Prirejeno z dovoljenjem po V. Glavnik in sod. J. Chromatogr. A 482 (207) HPTLC-densitometric and HPTLC MS/MS characterization of physalins in different plant parts of Physalis alkekengi L. harvested in different maturity stages. 2. 2D presentation of LC-ESI-MS chromatograms of genuine (left) and adulterated (right) pumpkin seed oil. 3. MS spectra of proanthocyanidins (bold m/z) obtained from Japanese knotweed rhizomes test solution (5 μl) applied on HPTLC silica gel. Chromatograms were documented before (366 nm (A), white light (B)) and after derivatization (366 nm (C), white light (D)). Adapted from V. Glavnik et al. J. Chromatogr. A 482 (207) with permission. 02 Letno poročilo 206 _ Annual Report 03

53 Raziskovalci / Researchers dr. Alen Albreht dr. Vesna Glavnik dr. Mitja Križman dr. Katerina Naumoska Doktorski študenti / PhD Students Eva Kranjc Urška Jug Strokovni sodelavci in tehnično osebje / Technical Staff Jan Damjan Pavlica Mateja Puklavec Andreja Starc Bibliografija Bibliography izvirnih znanstvenih člankov strokovni članek samostojni znanstveni sestavek ali poglavje v monografski publikaciji objavljeni povzetki znanstvenih prispevkov na konferencah (vabljena predavanja) objavljenih povzetkov znanstvenih prispevkov na konferencah elaborata, predštudiji, študiji uredništva revij Original Scientific Articles Professional Article Independent Scientific Component Part or a Chapter in a Monograph Published Scientific Conference Contributions Abstract (Invited Lectures) Published Scientific Conference Contribution Abstracts Treatises, Preliminary Studies, Studies Journal Editorships 04 Letno poročilo 206 _ Annual Report 05

54 Odsek za polimerno kemijo in tehnologijo Department of Polymer Chemistry and Technology Vodja / Head dr. Ema Žagar D07 Raziskave in razvoj novih funkcionalnih polimerov ter polimernih materialov s posebnimi lastnostmi, ki se izvajajo v dveh sklopih: funkcionalni polimeri za zdravje in trajnostno uporabo ter novi nanostrukturirani polimerni materiali in nanotehnologije Ključne dejavnosti Funkcionalni polimeri za biomedicinske aplikacije. polimeri in polimerni materiali iz obnovljivih surovin. materiali s permanentno porozno strukturo. polimerni nanokompoziti. raziskave vpliva polimerov in plastike na okolje. razvojne industrijske raziskave in storitve za trg. Glavni dosežki v letu 206 Razvili smo novo sintezno pot za pripravo visoko poroznih hidrogelov na osnovi funkcionaliziranega glicidil metakrilata (GMA) z uporabo emulzij olje/voda z visokim deležem interne faze (Polym. Chem. 206, 7, ). V ta namen smo pred polimerizacijo GMA-mono- Research and development of novel functional polymers and polymeric materials with special properties, which are carried out in two fields, i.e., functional polymers for health and sustainable use and nanostructured polymeric materials and nanotechnology Topic Areas Functional polymers for biomedical applications, polymers and polymeric materials from renewable resources, materials with permanent porosity, polymer-based nanocomposites, study of the effects of polymers and plastics on the environment, applied and development research for industrial partners. Important achievements in 206 Highly porous hydrogels based on functionalized glycidyl methacrylate (GMA) have been successfully prepared using high internal phase oil-in-water emulsions (Polym. Chem. 206, 7, ). The pre-polymerization functionalization of the GMA monomer, porous mer funkcionalizirali in raziskali vpliv poroznosti strukture na absorpcijo vode sintetiziranih visoko poroznih hidrogelov. Ugotovili smo, da primarne aminske skupine tris(2-aminoetil)amina ali,2-diaminoetana reagirajo z GMA na tri različne načine. Glavni produkt je zmes metakrilnih in metakrilamidnih komponent, z manjšim deležem aza-michael adicijskega produkta. Zmes tako dobljenih produktov smo v naslednji stopnji polimerizirali. Dobljeni polihipe material je imel specifično površino in za štiri- do petkrat večjo absorpcijo vode kot referenčni material, pripravljen s polimerizacijo GMA preko voda/olje polyhipe emulzije. Rezultati te študije so pokazali, da lahko s primerno funkcionalizacijo GMA pred polimerizacijo pripravimo polyhipe hidrogele z izboljšanimi lastnostmi v primerjavi s poly- HIPE hidrogeli na osnovi GMA in naknadno funkcionalizacijo. Pripravili smo porozni superabsorbcijski polihipe hidrogel na osnovi 2-akrilamido- 2-metilpropansulfonske kisline (AMPS), Macromol. Rapid Comm. (206, 37, 84 89). Z uporabo emulzij z visokim deležem notranje faze (HIPE) smo uspeli pripraviti 85-odstotno porozno strukturo, ki smo jo zamrežili z dodatkom N,N -metilenbisakrilamida kot zamreževala. Absorpcija sintetičnega urina je pokazala, da 85-odstotno zamrežen superabsorbcijski polihipe hidrogel absorbira štirikrat več sintetičnega urina (90 g/g) kot superabsorbent v komercialno dostopnih plenicah z 22 g/g. Test mehanskih lastnosti je pokazal structure and the water uptake of highly porous hydrogels were investigated. The primary amine groups of tris(2-aminoethyl)amine or,2-diaminoethane were found to react with GMA in three distinct reactions, giving a mixture of methacrylate and methaycrylamide as the major products with a small amount of the aza-michael addition product, which were then polymerised. The water uptake and the specific surface area were found to be between 4 and 5 times higher than the corresponding values for conventional GMA-based polyhipe prepared from the water-in-oil HIPE. These results demonstrate a highly efficient prepolymerization functionalization method for the preparation of GMA-based hydrogel poly- HIPEs. Superabsorbent, mechanically robust, highporosity hydrogels based on poly(2-acrylamido-2-methyl-propansulfonic acid) (PAMPS) were successfully synthesised by templating within high internal phase emulsions (HIPEs), Macromol. Rapid Comm. 206, 37, The absorption of synthetic urine showed that 85% porous, superabsorbent polyhipe hydrogel absorbs four times as much synthetic urine (90 g/g) as a superabsorbent in commercially available diapers of 22 g/g. The highly swollen hydrogel polyhipe monoliths (cube of cm 3 ) do not fail under compressive strains of up to 60%, retaining water, and recovering their shapes upon the removal of stress. A new process for the production of nanocellulose from selected cellulose-containing nat- 06 Letno poročilo 206 _ Annual Report 07

55 2 3. Sintetizirali smo visoko porozne hidrogele na osnovi kemijsko modificiranega glicidil metakrilata (GMA) iz olje/ voda emulzij z visokim deležem interne faze (Polym. Chem. 206, 7, ). Raziskali smo prednosti in slabosti funkcionalizacije pred polimerizacijo v primerjavi z že uveljavljeno metodo funkcionalizacije po polimerizaciji in preučili vpliv takšnega postopka sinteze na porozno strukturo in kapaciteto vpijanja vode visoko poroznih GMA-hidrogelov. 2. Protiprašno sredstvo na osnovi mineralnega olja, kot dodatek v vezivu za izdelavo izdelkov iz kamene volne, smo, v sodelovanju s podjetjem KnaufInsulation (zaključena doktorska naloga), uspešno nadomestili s protiprašnim sredstvom na osnovi rastlinskega olja (J. Appl. Polym. Sci. 206, 33, 6). 3. Grafični povzetek študije mikroplastike na morskem površju v slovenskem delu severnega Jadranskega morja (Mar. Pollut. Bull. 206, 3, ).. Highly porous hydrogels based on functionalized glycidyl methacrylate (GMA) have been successfully prepared using the high internal phase oil-in-water emulsions (Polym. Chem. 206, 7, ). The pre-polymerization functionalization of the GMA monomer, porous structure and the water uptake of highly porous hydrogels were investigated. 2. A dedusting agent based on mineral oil that is used as an additive in the binder for the manufacture of rock mineral wool was successfully replaced with a dedusting agent based on mineral oil (J. Appl. Polym. Sci. 206, 33, -6). This work was performed together with KnaufInsulation as an industrial partner within the Ph.D. thesis. 3. A graphical Abstract of the study of sea surface microplastics in the Slovenian part of the Northern Adriatic (Mar. Pollut. Bull. 206, 3, ). mehansko izjemno stabilno porozno strukturo, saj se je kocka dimenzije cm 3 po 60-odstotni kompresiji povrnila na 97 % originalne višine. Nov postopek pridobivanja nanokristalinične celuloze iz naravnih materialov, ki vsebujejo celulozo, smo objavili v reviji Carbohydr. Polym. (206, 48, ). Postopek poteka v zmesi glikolov, ob prisotnosti le 3-odstotne metansulfonske kisline kot katalizatorja. Metodo smo preizkusili na več modelnih naravnih materialih; bombažu, smrekovem žaganju, evkaliptusu in kitajski okrasni travi. Postopek je sestavljen iz štirih korakov: mletje biomase, glikolizna reakcija, centrifugiranje in spiranje s topili. Izkoristek izolirane nanoceluloze je bil med 56 in 75 %, indeks kristaliničnosti nanoceluloze pa večji od začetnega materiala, iz katerega smo nanocelulozo izolirali, ker smo v postopku glikolize odstranili lignin, hemicelulozo in amorfno celulozo. Končni produkt je bila stabilna suspenzija nanokristalinične celuloze v organskem mediju. V tekočem ostanku, dobljenem po utekočinjanju, smo dokazali predvsem levulinsko kislino in razne sladkorje. Pod našim mentorstvom je doktorandka iz industrije (KnaufInsulation) zaključila usposabljanje in doktorsko disertacijo uspešno zagovarjala. Raziskave so obsegale zamenjavo dodatkov v vezivu na naftni osnovi (protiprašna sredstva na osnovi mineralnih olj) z dodatki naravnega izvora (protiprašna sredstva na osnovi rastlinskih olj) ter uporabo nanodelcev kovinskih oksidov v vezivu kamene volne (J. Appl. Polym. Sci. 206, 33, 6). Namen je bil nadomestiti surovine iz fosilnih virov z naravnimi oziroma izboljšati lastnosti izdelkov ali zmanjšati porabo veziva pri proizvodnji kamene volne. Nadomeščanje surovin iz fosilnih virov z naravnimi je vse bolj opažen trend v razvoju polimernih materialov in kompozitov v industriji. Globalni namen je dolgoročno izboljšanje trajnostne bilance materialov, predvsem z nižanjem ogljičnega odtisa. V okviru projekta DeFishGear smo izvajali raziskave na temo vpliva mikroplastike na okolje. V članku Mar. Pollut. Bull. (206, 3, ) smo predstavili prvo znanstveno študijo mikural materials has been developed (Carbohydr. Polym. 206, 48, ). The liquefaction reaction, using glycols and mild acid catalysis (methane sulphonic acid), was applied to four model materials, namely cotton linters, spruce wood, eucalyptus wood and Chinese silver grass. The process contains only four steps, i.e. milling, glycolysis reaction, centrifugation and final rinsing with an organic solvent. The nanocrystalline cellulose recovery was between 56 and 75%. The crystallinity index was greater than that of the starting materials due to the liquefaction of lignin, hemicelluloses and amorphous cellulose. The final product was a stable, highly concentrated nanocrystalline cellulose suspension in the organic medium. The liquid residue obtained after the liquefaction of the cotton linters contained significant quantities of levulinic acid and various sugar types. Under our supervision, a Ph.D. student from the industry (KnaufInsulation) successfully defended a doctoral dissertation at the Faculty of Chemistry and Chemical Technology, University of Ljubljana. The research focused on the replacement of petroleum-based additives in the binder (antidusting agents based on mineral oil) with additives of natural origin (antidusting agents based on vegetable oils), as well as the use of metal oxide nanoparticles in the binder for rock mineral wool with the aim of replacing fossil raw materials with natural ones, to improve the products properties or to reduce the consumption of binder in rock mineral wool production (J. Appl. Polym. Sci. 206, 33, -6). The substitution of raw materials from fossil sources with the raw materials of natural origin is a growing trend in the development of polymer materials and composites. The global aim is to improve the long-term sustainable balance of materials, especially by lowering the carbon footprint. Within the DeFishGear project, we carried out the first scientific study of sea surface microplastics in the Northern Adriatic. Experiments consisting of 7 sea surface trawls carried out over a 20-month period gave a high average particle concentration (Mar. Pollut. 08 Letno poročilo 206 _ Annual Report 09

56 roplastike na morskem površju v severnem Jadranskem morju. Eksperimentalno delo je pokazalo izjemno visoko povprečno gostoto delcev ter veliko prostorsko in časovno variabilnost koncentracij, ki smo jo uspešno pojasnili z uporabo modela za distribucijo morskih odpadkov na osnovi površinskih morskih tokov. Opravili smo tudi prvo študijo (Environ. Pollut. 206, 29, ) vpliva zaužitja tekstilnih vlaken na modelni zooplanktonski organizem, tj. Daphnia magna (vodna bolha). Študije so pokazale, da med pranjem tkanin in obleke v naravo izhajajo znatne količine vlaken, ki tako predstavljajo pomembno skupino mikroplastike v celinskih vodah. V študiji smo uporabili vlakna iz poli(etilen tereftalata), ki smo jih zmleli, da bi simulirali učinek mehanskega stresa med pranjem in staranja. Študija je pokazala, da vodne bolhe vlakna zaužijejo, vendar daljših vlaken ne morejo več izločiti, kar poveča njihovo umrljivost. Študirali smo tudi termične in reološke lastnosti zvezdastih kopolimerov različne kemijske sestave, ki smo jih pripravili iz visoko razvejenega poliestra, na katerega smo graftirali polikaprolakton (Eur. Polym. J. 206, 76, 88 95). Rezultati reološke in termične opredelitve kopolimerov so nam omogočile boljši vpogled v strukturne spremembe, ki potekajo med segrevanjem in ohlajanjem kopolimerov. Bull. 206, 3, ). The results revealed a high spatial and temporal variability in the results. This was successfully explained by a novel application of a Markov chain marine litter distribution model using surface current maps. We also carried out the first study of the ingestion and effects of textile fibres on the model freshwater zooplankton crustacean Daphnia magna (Environ. Pollut. 206, 29, ). It has been shown that significant quantities of fibres are emitted into the environment during clothes washing, making it a very relevant class of microplastics, especially in freshwater environments. The poly(ethylene terephthalate) fibres used in the experiments were ground to simulate the effects of washing stress and weathering. The study shows that Daphnia magna ingests textile fibres but is not able to excrete long fibres, which increases their mortality. We have studied the thermal and rheological properties of star-shaped copolymers with different chemical compositions, which were prepared from the hyperbranched polyester from which the poly(caprolactone) was grafted (Eur. Polym. J. 206, 76, 88-95). The results of the rheological and thermal characterization provided a deeper insight into the structural changes of the copolymers during the cooling/heating process. Raziskovalci / Researchers dr. Alojz Anžlovar dr. Aljoša Bolje izr. prof. dr. Miroslav Huskić/Assoc. Prof. dr. Marjan Ješelnik doc. dr. Sebastijan Kovačič/Assist. Prof. doc. dr. Andrej Kržan/Assist. Prof. izr. prof. dr. Matjaž Kunaver/Assoc. Prof. dr. David Pahovnik dr. Simona Sitar Bibliografija izvirnih znanstvenih člankov kratki znanstveni prispevek samostojna znanstvena sestavka ali poglavji v monografskih publikacijah objavljeni znanstveni prispevki na konferencah objavljeni povzetki znanstvenih prispevkov na konferencah (vabljena predavanja) objavljenih povzetkov znanstvenih prispevkov na konferencah patentna prijava predavanja na tujih univerzah prispevki na konferencah brez natisa končna poročila o rezultatih raziskav elaborata, predštudiji, študiji diplom magisterija doktorata uredništev revij Doktorski študenti / PhD Students Špela Gradišar Strokovni sodelavci in tehnično osebje / Technical Staff Petra Horvat Nataša Juvančič Miran Lavrič Polona Prosen Mirjana Širca Mojca Trkaj Jasmina Turnšek Sarah Jurjevec Bibliography Original Scientific Articles Short Scientific Article Independent Scientific Component Parts or Chapters in Monographs Published Scientific Conference Contributions Published Scientific Conference Contributions Abstract (Invited Lectures) Published Scientific Conference Contribution Abstracts Patent Application Invited Lectures at Foreign Universities Unpublished Conference Contributions Final Research Reports Treatises, Preliminary Studies, Studies Undergraduate Theses Master s Theses Doctoral Dissertations Journal Editorships 0 Letno poročilo 206 _ Annual Report

57 Odsek za anorgansko kemijo in tehnologijo Department of Inorganic Chemistry and Technology Vodja / Head prof. dr. Nataša Zabukovec Logar D09 Razvoj funkcionaliziranih poroznih materialov kot adsorbentov in/ali katalizatorjev za energijske in okoljske aplikacije Ključne dejavnosti Razvoj funkcionaliziranih zeolitov, poroznih silikatov in kovinsko-organskih poroznih materialov (MOF-ov) za adsorpcijo in katalizo. Strukturne študije z uporabo osnovnih karakterizacijskih metod (rentgenska difrakcija, sorpcija plinov (N 2, CO 2, He, H 2 ) in vodne pare) in naprednih karakterizacijskih metod (jedrske magnetne resonance, rentgenske absorpcijske spektroskopije). Testiranje materialov za aplikacije v okoljskih tehnologijah (katalizatorji pri predelavi biomase v kemikalije in goriva, adsorbenti in katalizatorji pri čiščenju vode in zraka). Testiranje materialov za aplikacije v energijskih tehnologijah (adsorbenti za shranjevanje toplote in plinov). Testiranje materialov za sisteme kontroliranega sproščanja zdravil. Glavni dosežki v letu 206 Prva dosežka sodita na področje fotokatalizatorjev za čiščenje zraka in vode. Z inovativnim sol-gel sinteznim postopkom smo pripravili visoko učinkovit kompozitni TiO 2 -SiO 2 foto- The development of functionalized porous materials as adsorbents and/or catalysts for energy and environmental applications Topic Areas The development of functionalized zeolites, mesoporous silicates and metalorganic framework materials (MOFs) for adsorption and catalysis. Structural studies using basic characterization methods (X-ray diffraction (XRD), gas (N 2, CO 2, He, H 2 ) sorption, water sorption) and advanced characterization methods (Nuclear Magnetic Resonance (NMR), X-ray Absorption Spectroscopy (XAS)). Testing materials for applications in environmental technologies (catalysts for the production of chemicals and fuels from biomass, adsorbents and catalysts for water and air purification). Testing materials for applications in energy-related technologies (adsorbents for heat and gas storage). Testing materials for drug delivery systems. Important achievements in 206 The first two achievements relate to photocatalysts for air and water cleaning. A highly katalizator z uporabo koloidnega TiO 2 produkta Cinkarne Celje. Omenjeni kompozitni fotokatalizator smo razvili v obliki mehansko visoko stabilnih filmov, primernih za vgradne fotokatalitske filtre za čistilce zraka (SLIKA ). Delo smo predstavili v reviji Applied Catalysis B: Environmental. Z modificiranim sol-gel sinteznim postopkom smo funkcionalizirali TiO 2 z Zr in Mn. Dokazali smo, da Zr poveča aktivnost fotokatalizatorja pri razgradnji barvil v odpadni vodi, medtem ko jo Mn zavira (SLIKA 2). Delo je bilo predstavljeno v reviji ChemCatChem. Tretji dosežek je s področja razvoja materialov za sorpcijsko shranjevanje energije. Da bi bolje razumeli desorpcijo vode iz mikroporoznih aluminofosfatov, smo pri različnih temperaturah z jedrsko magnetno resonanco in z uklonom rentgenskih žarkov preiskovali AlPO4-34. Pri dehidrataciji smo opazili tri dobro definirane fazne prehode. Raziskava je pokazala, da ima način pakiranja zelo pomembno vlogo pri končni uporabi materiala, saj ključno vpliva na hitrost desorpcije vode. Delo je bilo predstavljeno v reviji New Journal of Chemistry. Prof. dr. Gregor Mali je imel tri vabljena predavanja o uporabi jedrske magnetne resonance za študij poroznih materialov na mednarodnih konferencah (57th ENC, Pittsburgh, ZDA; Ampere NMR School, Zakopane, Poljska; 8th Central and Eastern European NMR Symposium, Sofija, Bolgarija). Prof. dr. Nataša Novak Tušar je imela tri vabljena predavanja na mednarodnih konferencah o uporabi fotokatalizatorjev za čiščenje zraka in vode (SPASEC-2 and AOT-22, Atlanefficient composite TiO 2 -SiO 2 photocatalyst was prepared using an innovative sol-gel procedure and a colloidal TiO2 product from Cinkarna Celje. The composite photocatalyst is developed in the form of a highly mechanically stable film suitable for built-in photocatalytic filters for air-cleaning devices. The work was described in Applied Catalysis B: Environmental. Zr and Mn functionalised TiO 2 was designed using a modified so-gel procedure. We provided direct proof for the improvement of the photocatalytic activity of TiO 2 for removing dyes from wastewater using Zr and for inhibition using Mn. The work was described in ChemCatChem. The third achievement is related to materials for sorption-based heat storage. To obtain a better understanding of the dehydration of microporous aluminophosphates, AlPO4-34 was subjected to a detailed variable-temperature nuclear magnetic resonance, X-ray diffraction, and first-principles calculation study. We detected three distinct steps (phase transitions) during the dehydration. Furthermore, the study pointed out the very important role that the packing of the material has in potential large-scale applications of AlPO 4-34 for energy conversion or heat storage. The study was described in the New Journal of Chemistry. Prof. dr. Gregor Mali gave three invited lectures on the application of solid-state nuclear NMR in the investigations of porous materials at international conferences (57th ENC, Pittsburgh, USA; Ampere NMR School, Zakopane, Poland; 8th Central and Eastern European NMR Symposium, Sofia, Bulgaria). 2 Letno poročilo 206 _ Annual Report 3

58 2 3. TiO 2 / SiO 2 -kompozitni fotokatalizator (AS7C, levo zgoraj) je precej bolj učinkovit od komercialnih fotokatalizatorjev (P25, PC500, AS), saj je čas, v katerem se koncentracija toluena (lahkohlapen organski onesnaževalec) v zraku razpolovi, najkrajši (AS7C, levo zgoraj, rdeči stolpec). Novi fotokatalizator smo v obliki vgradnega filtra namestili v pilotni fotoreaktor. Test delovanja je pokazal, da lahko filter že v 30 minutah popolnoma razgradi toluen (desno spodaj). 2. Na sliki je shematično prikazan Zr/Mn-TiO 2. Mn kationi na površini TiO 2 zavirajo tvorbo OH-radikalov zaradi stranske reakcije med Mn ioni in OH-radikali. OH-radikali so potrebni za razgradnjo (products) barvila (RH) kot organskega onesnažila v odpadni vodi. 3. MAS NMR spektri fosforjevih in aluminijevih jeder v AlPO 4-34, posneti pri različnih temperaturah. Spektri kažejo, kako se z zmanjševanjem stopnje hidratacije spreminja lokalna okolica gradnikov v mikroporoznem aluminofosfatu.. TiO 2 / SiO 2 -composite catalyst (AS7C, upper left corner) is the most active compared to commercial photocatalysts (P25, PC500, AS), while the concentration of toluene (a volatile organic compound pollutant) halved (AS7C, upper left corner, red column). A new photocatalyst was built-in as a filter in a photoreactor. A photocatalytic test showed that in just 30 minutes, the filter totally decomposed toluene (lower right corner). 2. The figure is a scheme for Zr/Mn-TiO 2. Mn cations located on the TiO 2 surface cause an inhibition effect, which is the result of a side reaction between Mn ions and.oh radicals. OH radicals are needed for the decomposition (products) of dye (RH) as an organic pollutant in wastewater. 3. MAS NMR spectra of 3P and 27Al nuclei within AlPO 4-34, recorded at different temperatures. The spectra show how the local environment around the selected constituents of the microporous aluminophosphate changes with the changing degree of hydration. Raziskovalci / Researchers Prof. dr. Nataša Novak Tušar Prof. dr. Gregor Mali Dr. Alenka Ristić Dr. Matjaž Mazaj Dr. Mojca Rangus Dr. Andraž Šuligoj Dr. Tomaž Čendak Dr. Oleksii Pliekhov Doktorski študenti / PhD Students Andraž Krajnc Jure Varlec Nika Vatič Darja Maučec Strokovni sodelavci in tehnično osebje / Technical Staff Mojca Opresnik Edi Kranjc Marjana Gantar Zaslužni raziskovalec / Researcher Emeritus Prof. dr. Venčeslav Kaučič 4 Letno poročilo 206 _ Annual Report 5

59 ta, ZDA) in o uporabi fotokatalizatorjev za pretvorbo biomase (2nd Summer Training School of COST FP306, Leipzig, Nemčija). Prof. dr. Nataša Zabukovec Logar je imela vabljena predavanja o razvoju materialov za shranjevanju toplote (2. nanotehnološki dan, Ljubljana; Slovenski kemijski dnevi, Portorož) in o integraciji bazične in aplikativne znanosti (IX. konferenca slovenskih znanstvenikov in gospodarstvenikov iz sveta in Slovenije, Ljubljana). Dr. Matjaž Mazaj je imel vabljeno predavanje o oblikovanju kovinsko-organskih poroznih materialov (EMN meeting, Praga, Republika Češka). Prof. dr. Nataša Novak Tušar gave three invited lectures on the application of photocatalysts for air and water cleaning (SPASEC-2 and AOT-22, Atlanta, USA) and on the design and development of photocatalysts for biomass conversion (2nd Summer Training School of COST FP306, Leipzig, Germany). Prof. dr. Nataša Zabukovec Logar gave invited lectures on the development of porous materials for heat storage applications (2. Nanotehnološki dnevi, Ljubljana; Slovenian Chemical Days, Portorož, Slovenia) and on the integration of basic and applied research (IX. conference of Slovenian scientists and business people from the world and Slovenia, Ljubljana, Slovenia). Dr Matjaž Mazaj gave an invited lecture on the shaping of metal-organic framework materials (EMN meeting, Prague, Czech Republic). Bibliografija Bibliography izvirnih znanstvenih člankov pregledni znanstveni članek samostojni znanstveni sestavek ali poglavje v monografski publikaciji samostojni strokovni sestavek ali poglavje v monografski publikaciji objavljeni znanstveni prispevek na konferenci objavljenih povzetkov znanstvenih prispevkov na konferencah (vabljena predavanja) objavljenih povzetkov znanstvenih prispevkov na konferencah predavanje na tuji univerzi vabljeno predavanje na konferenci brez natisa magisterij doktorat uredništva revij Original Scientific Articles Review Article Independent Scientific Component Part or a Chapter in a Monograph Independent Professional Component Part or a Chapter in a Monograph Published Scientific Conference Contribution Published Scientific Conference Contribution Abstracts (Invited Lectures) Published Scientific Conference Contribution Abstracts Invited Lecture at Foreign University Unpublished Invited Conference Lecture Master s Thesis Doctoral Dissertation Journal Editorships 6 Letno poročilo 206 _ Annual Report 7

60 Odsek za kemijo materialov Department of Materials Chemistry Vodja / Head prof. dr. Miran Gaberšček D0 Moderni baterijski materiali, razvoj premazov, elektronska mikroskopija in elektrokatalizatorji Ključne dejavnosti Razvoj na področju shranjevanja električne energije: novi elektrokemijski materiali in celice, elektrokemija materialov ter lastnosti elektrokemijskih celic. Raziskave, osredotočene na sekundarne baterijske sisteme, kot so Li-ion, Li-S, Mg akumulatorji in drugi napredni sistemi. Razvoj komponent za energetske sisteme, ki izkoriščajo obnovljive vire energije. Razvoj metod za oceno življenjske dobe materialov, uporabljenih v koncentratorskih sončnih elektrarnah. Razvoj barvnih prevlek za nizkotemperaturne absorberje (kovinske in polimerne) ter prevlek za koncentratorske absorberje, vključene v solarne elektrarne. Razvoj komponent fotoelektrokemičnih celic ter elektrokromnih»pametnih oken«, predvsem tankih plasti in elektrolitov. Razvoj hidrofobnih, oleofobnih in ognjevarnih aditivov ter tankih prevlek. Sinteza novih elektrokatalizatorjev za potencialno uporabo v nizkotemperaturnih gorivnih celicah in elektrolizerjih. Eksperimentalne in teoretične študije degradacije elektrokatalizatorjev in kompozitnih elektrod, ki se uporabljajo v nizko- Modern Battery Systems, coating development, electron microscopy and electrocatalysts Topic Areas The advancement of electrochemical energy storage by developing novel electrochemical materials and cells, providing insight into electrochemical material and cell properties, Applied research focused on modern devices like secondary batteries specifically Li-ion, post Li-ion, Mg batteries and some other advanced storage systems, The development of components used for systems based on renewable energy sources, The development of methods for the lifetime assessment of materials used for concentrated power plants, The development of coloured coatings for low-temperature solar absorbers (metallic and polymeric), as well as coatings for concentrated solar power plants, Research in the field of components for photo electrochemical cells and electrochromic smart windows, as well as corresponding electrodes, thin films and electrolytes, The development of hydrophobic, oleophobic and flame retardant additives and thin films, The synthesis of novel electrocatalysts for temperaturnih gorivnih celicah. Razvoj in situ in ex situ analiznih ter eksperimentalnih pristopov za študij strukture (Ramanska spektroskopija, IRspektroskopija), površine (AFM, SEM, EDS, NGIA IR-spektroskopija) in reologije kompleksnih materialov. Glavni dosežki v letu 206 V sodelovanju z raziskovalci z Inštituta Jožef Stefan ter s kolegi iz Švice in Japonske smo prvi dokazali prisotnost točkastih defektov na domenskih stenah v feroelektričnem BiFeO3. Z raziskavo smo razložili mehanizem p-tipa električne prevodnosti domenskih sten v Bi- FeO3 in prispevali manjkajoči člen pri razlagi prevodnosti domenskih sten v feroelektrikih. Raziskava je bila objavljena v Nature Materials, najuglednejši reviji na področju materialov s faktorjem vpliva 38,9. Raziskava je bila v celoti zasnovana in izvedena na obeh slovenskih institucijah. Na področju elektrokatalize smo s poglobljeno mehanistično raziskavo pokazali, da stopnja urejenosti bimetalnih elektrokatalizatorjev odločilno vpliva na razvoj lokalne strukture med raztapljanjem. Aktivnost urejene strukture je tako ves čas delovanja katalizatorja znatno višja od aktivnosti primerljive neurejene strukture. V drugi študiji smo pokazali, da lahko stabilnost še dodatno povečamo, če na površino izbrane bimetalne zlitine (PtCu3/C) nanesemo zelo majhno količino zlata (< at. low-temperature fuel cells, Experimental studies and modelling of the degradation of electrocatalysts and composite electrodes used in low-temperature fuel cells, Development of in situ and ex situ analytical and experimental approaches used for investigating the structural (Raman and Infrared spectroscopy), surface (AFM, SEM, EDS, NGIA IR spectroscopy) and rheological properties of complex materials. Important achievements in 206 In cooperation with researchers from the Jožef Stefan Institute and colleagues from Switzerland and Japan, we successfully identified the accumulation of charged defects at domain walls in ferroelectric BiFeO3. The finding explains the p-type hopping conduction at the domain walls in BiFeO3, thus offering the missing piece in understanding the intriguing electrical properties of domain walls in ferroelectrics. The study was published in Nature Materials, one of the highest-impact scientific journals. The entire study was conceived and experimentally implemented at the two Slovenian institutions. In the field of electrocatalysis, we carried out a mechanistic study revealing that the structural ordering of bimetallic catalysts decisively affects the development of local structure during dealloying. Thus, the ordered alloys main- 8 Letno poročilo 206 _ Annual Report 9

61 2 3. STEM-slika (a) bizmutovega ferita (BiFeO 3 ) v [00] orientaciji, kjer je prisotna 09 domenska stena (označeno z rdečim pravokotnikom). V domenski steni se stikata dve domeni, ki imata premike železovih atomov v različnih smereh. Tovrstni izmerjeni premiki so prikazani s puščicami na sliki b. S posebno tehniko slikanja (LAADF) lahko opazimo napetosti v kristalni mreži (c), ki so posledica kristalografskega striga na bizmutovi podmreži ob domenski steni (d). 2. Karakterizacija nanodelca PtCu 3 iz vzorca, ki je bil obdelan z majhno količino zlata. Analiza razkrije tvorbo povrhnjice, obogatene z zlatom. 3. Elektrokemijska aktivnost poli(hidrokinonil-benzokinonil) sulfida, testirana v tipični magnezijevi baterijski celici. Z grafa je razvidno, da znaša povprečna napetost okoli 2 V, kar znatno presega doslej objavljene vrednosti v magnezijevih baterijskih sistemih.. STEM image (a) of bismuth ferite (BiFeO 3 ) in [00] orientation, showing the presence of a 09 domain wall denoted by the red box. Iron displacement in the two adjacent domains can be seen and is further analysed in panel b (arrows). Using a special technique (LAADF), one can observe the lattice strains (c) as a consequence of bismuth sublattice shift (shear lattice strain, d). 2. Characterization of a PtCu 3 nanoparticle from a sample treated with a small amount of gold. Analysis reveals the formation of a surface skin enriched with gold. 3. The electrochemical activity of poly(hydroquinonyl-benzoquinonyl) sulphide tested in an Mg-organic battery configuration. An average discharge voltage of 2.0 V is clearly visible. This represents a significant improvement compared to previously published Mg-organic batteries. %). Obe raziskavi sta bili objavljeni v ACS Catalysis. Na področju baterijskih raziskav smo razvili novo sintezno pot za pripravo polimera na osnovi hidrobenzokinonil-benzokinonil sulfida (PHBQS). Pripravljeni material smo testirali za morebitno uporabo magnezijevih baterij. Ugotovili smo, da je delovna napetost materiala v območju okoli 2 V glede na kovinski magnezij, kar znatno presega doslej objavljene vrednosti. Prav tako smo v kombinaciji z nekaterimi elektroliti dosegli visoke kapacitete do 58 mah/g. V okviru EU projekta»nanorestart«smo razvili nove poli-funkcionalne odstranljive prevleke za široko paleto materialov, ki se uporabljajo v sodobni umetnosti. V sodelovanju z izraelskim podjetjem Brightsource smo nadgradili metode in modele za oceno življenjske dobe visoko absorptivnih premazov za koncentratorske sončne elektrarne. V sodelovanju s podjetjem Hidria Rotomatika in Odsekom za polimerno kemijo in tehnologijo smo razvili nove metode laminacije na bazi samo-lepljenja. tain supreme activity throughout the catalyst usage. Along the same lines, we showed that superficial doping with small amounts of gold (< at. %) significantly improves the corrosion resistance of a transition-metal-rich PtCu3/C alloy. Both studies were published in ACS Catalysis. In the field of battery research, we developed a novel route for the synthesis of poly(hydrobenzoquinonyl-benzoquinonyl sulphide) polymer (PHBQS). The material was found very appropriate for potential use in Mg batteries. The average working voltage in an Mg cell was about 2 V while the maximum specific capacity was 58 mah/g. Both values are among the best values published so far in the field of Mg batteries. Within the EU project»nanorestart«, we developed novel poly-functional removable coatings for a wide variety of materials used in contemporary art. In cooperation with the Israeli Company Brightsource, we upgraded previously developed methods and models for the lifetime assessment of high solar absorptivity coatings used in concentrated power plants. In collaboration with Hidria Rotomatika and the Department for Polymer Chemistry and Technology at NIC, we developed new lamination methods on the basis of self-bonding. 20 Letno poročilo 206 _ Annual Report 2

62 Bibliografija Bibliography Raziskovalci / Researchers dr. Marjan Bele dr. Jan Bitenc dr. Elena Chernyshova dr. Zorica Crnjak Orel dr. Marija Čolović prof. dr. Robert Dominko dr. Goran Dražić doc. dr. Ivan Jerman / assist. prof. dr. Primož Jovanovič prof. dr. Marta Klanjšek Gunde / assoc. prof. dr. Vida Lapornik dr. Manca Logar dr. Mohor Mihelčič dr. Jože Moškon dr. Klemen Pirnat dr. Lidija Slemenik Perše dr. Mirjana Rodošek dr. Angelja Kjara Surca dr. Tina Ukmar Godec dr. Alen Vižintin dr. Francisco Ruiz Zepeda dr. Milena Zorko Doktorski študenti / PhD Students Tanja Bančič Matija Gatalo Špela Hajduk Sabina Kolar Gregor Križan Luka Noč Urša Petek Maja Pori Ahmed AbdElAal Kreta Jernej Bobnar Sara Drvarič Talian Anja Kopač Lautar Nejc Pavlin Ana Robba Florian Alexander Strauss Strokovni sodelavci in tehnično osebje / Technical Staff Gregor Kapun Ivana Maver Ksenija Napast Jerneja Pirnat Ervin Šest Helena Spreizer izvirnih znanstvenih člankov pregledni znanstveni članek strokovni članek poljudna članka samostojni znanstveni sestavki ali poglavja v monografskih publikacijah polemiki, diskusijska prispevka intervjuja objavljenih znanstvenih prispevkov na konferencah objavljenih povzetkov znanstvenih prispevkov na konferencah (vabljena predavanja) objavljenih povzetkov znanstvenih prispevkov na konferencah patentov predavanje na tuji univerzi prispevkov na konferencah brez natisa vabljeno predavanje na konferenci brez natisa končnih poročil o rezultatih raziskav elaborata, predštudiji, študiji diplom magisteriji doktoratov uredništev revij Original Scientific Articles Review Article Professional Article Popular Articles Independent Scientific Component Parts or Chapters in Monographs Polemics, Discussions Interviews Published Scientific Conference Contributions Published Scientific Conference Contribution Abstracts (Invited Lectures) Published Scientific Conference Contribution Abstracts Patents Invited Lecture at Foreign University Unpublished Conference Contributions Unpublished Invited Conference Lecture Final Research Reports Treatises, Preliminary Studies, Studies Undergraduate Theses Master s Theses Doctoral Dissertations Journal Editorships Zaslužni raziskovalec / Researcher Emeritus prof. dr. Boris Orel 22 Letno poročilo 206 _ Annual Report 23

63 Odsek za molekularno biologijo in nanobiotehnologijo Department of Molecular Biology and Nanobiotechnology Vodja / Head doc. dr. Marjetka Podobnik D Raziskave bioloških procesov na osnovi preučevanja proteinov njihove zgradbe, interakcij z drugimi molekulami, mehanizma delovanja in biološke funkcije, ter njihova uporaba v nanotehnologiji Ključne dejavnosti Raziskave zgradbe in mehanizma delovanja proteinov, ki sodelujejo v patogenezi intraceličnih bakterij. Molekulski mehanizmi poškodbe lipidnih membran, ki jih povzročijo proteini, s poudarkom na proteinih naddružine MACPF/CDC ter družin aerolizinu podobnih proteinov in aktinoporinov. Raziskave nanopor za namene senzorike ali dostavnih sistemov v biotehnoloških aplikacijah. Raziskave zgradbe filamentonznih rastlinskih virusov v namene razumevanja interakcij z rastlinami ter potencialno uporabo v nanotehnologiji. Razvojno sodelovanje z industrijskimi partnerji: proteinska analitika, novi dostavni sistemi in in vitro celični modeli. Research on biological processes with a focus on proteins: their structure, interactions with other molecules, mechanism of action and biological function, as well as their application in nanotechnology Topic Areas The structure and function of proteins involved in the pathogenesis of intracellular bacteria. Molecular mechanisms of lipid membrane damage induced by pore-forming proteins from the MACPF/CDC superfamily, as well as actinoporin- and aerolysin-like protein families. The development of nanopores as biosensors or delivery systems for biotechnological applications. Structural studies on filamentous plant viruses in order to understand their interaction with host plants and thus pathogenesis, as well as for their applications in nanotechnology. Developmental partnership with industry: protein analytics, new delivery systems and in vitro cell models. Glavni dosežki v letu 206 Preučevali smo mehanizme delovanja proteinov in njihove interakcije v bioloških procesih, povezanih s patološkimi stanji, kjer prihaja do poškodb celičnih membran. Določili smo 3D-zgradbo pore toksina lizenina, ki je podoben nekaterim bakterijskim virulenčnim dejavnikom, t. i. aerolizinu podobnim citolizinom. Z opisom 3D-zgradbe smo lahko razložili lastnosti pore, pa tudi mehanizem sestavljanja na površini lipidnih membran (Podobnik et al., 206). Ker ti toksini tvorijo izjemno stabilne pore, so te lahko uporabne v nanobiotehnoloških aplikacijah, npr. za sekvenciranje molekule DNA. Pri študiji so sodelovale še raziskovalne skupine tujih univerz in nanobiotehnološko podjetje, Oxford Nanopore Technologies, VB. Članek je bil izbran med»top objave«na Metini listi, predstavljen pa je bil tudi na spletni strani sinhrotrona Elettra v Trstu, v rubriki»top stories«. V sodelovanju s skupino iz Francije smo raziskovali kinetiko nastajanja membranskih poškodb s proteinom listeriolizinom O z metodo mikroskopa na atomsko silo (ang. high-speed atomic force microscopy). Pokazali smo, na kakšen način pride do poškodb lipidne membrane in odkrili nepričakovano delovanje, ki povzroči večje poškodbe membran z zlivanjem majhnih por (lokov). Odkritje razloži delovanje listeriolizina O v celicah, ko ta poškoduje fagolizosomske membrane tako, Important achievements in 206 We study the mechanism of action and intermolecular interactions of proteins involved in biological processes associated with pathological states, in particular those involving damage to cellular membranes. We determined the 3D structure of the pores formed by the toxin lysenin, a homologue of some bacterial virulent factors, which belong to the aerolysin family of cytolysins. The structure helps to understand the unique properties of these pores, as well as the mechanism of assembly on the surface of lipid membranes (Podobnik et al., 206). Since these toxins form exceptionally stable pores, they can be used in biotechnological applications, such as sequencing DNA molecules. The study was done in collaboration with research groups from abroad (universities and the nanobiotechnological company Oxford Nanopore Technologies, UK). The paper was chosen among the TOP publications on the Meta list, and was published on the synchrotron Elettra (Trieste) website under Top stories. In collaboration with a research group from France, we investigated the kinetics of formation of membrane injuries by listerioloysin O using high-speed atomic force microscopy. We showed how the damage to the lipid membranes is achieved and detected an unexpected merging of small pores (arcs) into larger as- 24 Letno poročilo 206 _ Annual Report 25

64 2 3. Lizeninska pora, prikazana v tračni obliki. Vsaka od devetih podenot je obarvana v svoji barvi. Označeni so pomembni deli pore in njene dimenzije. Levo: stranski pogled. Desno: pogled od zgoraj. Iz: Podobnik et al., Nat Commun. 206 May 2;7:598. doi: 0.038/ncomms Shematski prikaz vmesnih stanj pri nastanku por v membranah, ki jih naredi evkariontski porotvorni aktinoporin ekvinatoksin II (Eqt II), kot je bilo pokazano z raziskavami na osnovi metode odboja nevtronov. Chol, holesterol; DHPC, diheksanoil-fosfatidilholin; DMPC, dimiristoil-fosfatidilholin; SM, sfingomielin. Prikazana je vezava EqtII divjega tipa (WT) in mutanta EqtIIV8C,K69C na lipidni dvosloj. Iz: Wacklin et al., Biochim Biophys Acta. 206;858(4): doi: 0.06/j.bbamem Shematski prikaz uničevanja lipidnih membran z listeriolizinom O (LLO). Delovanje LLO je odvisno od vsebnosti holesterola (Chol) v membranah. Pri visokih koncentracijah holesterola prihaja do nastanka por v obliki lokov, sčasoma pa LLO lahko tvori velike poškodbe v membranah kot lineaktant, kar omogoči pobeg patogene bakterije Listeria monocytogenes iz celičnih organel in širjenje po gostiteljskem organizmu. Ruan et al., PLoS Pathog. 206 Apr 22;2(4):e doi: 0.37/journal.ppat The structure of a lysenin pore in ribbon representation. Each of the 9 subunits is coloured by a distinct colour. The main parts of the pore and the dimensions are marked. Left: side view, right: top view. From: Podobnik et al., Nat Commun. 206;7:598. doi: 0.038/ncomms Schematic representation of intermediate states in pore formation in lipid membranes by the eukaryotic poreforming actinoporin equinatoxin II (Eqt II), as revealed by the neutron reflection study. Chol, cholesterol; DHPC, dihexanoyl-phosphatidylcholine; DMPC, dimyristoyl-phosphatidylcholine; PC, phosphatidylcholine; SM, sphingomyelin. A schematic summary of the binding of EqtII-wild-type (WT) and mutant EqtIIV8C,K69C to lipid bilayers. From: Wacklin et al., Biochim Biophys Acta. 206;858(4): doi: 0.06/j.bbamem A schematic representation of listeriolysin O (LLO) membrane disruptive action. LLO action depends on membrane cholesterol (Chol) content. At high cholesterol content, LLO is able to form arch-shaped pores and to damage lipid membranes as a lineactant, which leads to large-scale membrane defects that enable the escape of the pathogenic bacterium Listeria monocytogenes from cellular organelles and thus its spreading within the host organism. Ruan et al., PLoS Pathog. 206 Apr 22;2(4):e doi: 0.37/journal.ppat Raziskovalci / Researchers prof. dr. Gregor Anderluh dr. Apolonija Bedina Zavec dr. Simon Caserman dr. Ajda Flašker dr. Gorazd Hribar dr. Nada Kraševec dr. Katja Pirc Strokovni sodelavci in tehnično osebje / Technical Staff Maja Debeljak Urška Dečko Klavdija Glavač Maja Jamnik Jelka Lenarčič Tomaž Švigelj Tea Tomšič Maja Capuder Vesna Hodnik Doktorski študenti / PhD Students Matic Kisovec Mirijam Kozorog Tea Lenarčič Omar Naneh Neža Omersa Saša Rezelj Aleksandra Šakanović Andreja Šink Neja Zupanec 26 Letno poročilo 206 _ Annual Report 27

65 da omogoči prehod bakterije v citosol (Ruan et al., 206). Raziskovali smo tudi vezavne lastnosti aktinoporina ekvinatoksina. Z uporabo metode odboja nevtronov smo pokazali različne oblike ekvinatoksina, ko je vezan na lipidne membrane (Wacklin et al., 206). Objavili smo dva pregledna članka: o metodah za preučevanje molekulskih interakcij (Podobnik et al., 206) in o pomenu ekstraceličnih veziklov nano dimenzij v nanomedicini (Fais et al., 206). Odobren je bil patent s področja peroralne dostave proteinskih terapevtikov in vložena patentna prijava s področja razvoja fitofarmacevtikov za zaščito rastlin pred patogeni. semblies, causing severe damage to the membranes. This discovery explains the operation of listeriolysin O in cells, when such damage to the phagolysosomal membrane allows the escape of bacteria into the cytosol (Ruan et al., 206). We studied the binding properties of the actinoporin protein equinatoxin. By using the neutron reflection method we showed that various forms of equinatoxin are bound to the lipid membrane (Wacklin et al., 206). We published two review articles, one on methods for studying molecular interactions (Podobnik et al., 206) and one on the importance of extracellular vesicles in nanomedicine (Fais et al., 206). One patent was approved in the field of the peroral delivery of protein therapeutics, and one patent application was filed in the field of the development of phytopharmaceuticals for the protection of plants against pathogens. Bibliografija Bibliography izvirnih znanstvenih člankov pregledni znanstveni članki samostojni strokovni sestavek ali poglavje v monografski publikaciji polemiki, diskusijska prispevka intervjuji drugo učno gradivo objavljeni znanstveni prispevek na konferenci objavljeni povzetek znanstvenega prispevka na konferenci (vabljeno predavanje) objavljenih povzetkov znanstvenih prispevkov na konferencah patentna prijava patent prispevki na konferencah brez natisa diplome magisterijev doktorati uredništev revij Original Scientific Articles Review Articles Independent Professional Component Part or a Chapter in a Monograph Polemics, Discussions Interviews Other Educational Material Published Scientific Conference Contribution Published Scientific Conference Contribution Abstract (Invited Lecture) Published Scientific Conference Contribution Abstracts Patent Application Patent Unpublished Conference Contributions Undergraduate Theses Master s Theses Doctoral Dissertations Journal Editorships 28 Letno poročilo 206 _ Annual Report 29

66 Odsek za sintezno biologijo in imunologijo Department of Synthetic Biology and Immunology Vodja / Head prof. dr. Roman Jerala D2 Raziskave molekulskih mehanizmov naravne imunosti in načrtovanje novih bioloških struktur ter kompleksnih sistemov Ključne dejavnosti. Molekulski mehanizem aktivacije naravnega imunskega sistema. 2. Sintezna biologija: načrtovanje logičnih operacij v sesalskih celicah na osnovi DNA-vezalnih domen, uporaba proteinskega in DNA-ogrodja za izboljšanje izkoristka biosinteznih reakcij, izgradnja celičnih naprav za uporabo v medicini, načrtovanje in izgradnja proteinskih in DNA bionanostruktur. Glavni dosežki v letu 206 Tollu podobni receptorji omogočajo prepoznavanje molekulskih vzorcev, značilnih za patogene. Za prepoznavanje bakterijskega endotoksina je bistven kompleks receptorja TLR4 z zunajceličnim proteinom MD-2. Poleg že poznanih razlik v vezavi med človeškim in mišjim MD-2 smo raziskali vlogo hidrofobnih aminokislinskih ostankov v vezavnem žepu. Pokazali smo, da Val35 odločilno vpliva na vezavo lipida A ter tako pojasnili medvrstne ra- Deciphering molecular mechanisms of innate immunity and the design of new biological structures and complex processes Topic Areas. The molecular mechanism of recognition and activation of the innate immune system. 2. Synthetic biology Regulatory cell structures and circuits based on DNA-bonding domains The design of protein or DNA-based scaffolds for the regulation of biosynthetic pathways The design of cellular therapeutic devices for application in medicine Designing and preparing bionanostructures. Important achievements in 206 Toll-like receptors are the key component of the innate immune response, enabling the identification of molecular patterns characteristic of pathogens. The complex of the TLR4 receptor and the extracellular protein MD-2 is crucial for the recognition of bacterial endotoxin. With the aim of additionally characterising the differences in recognition for human and murine MD-2, we studied the role of hy- zlike (Vašl in sod., J. Immunol.). Razvoj ortogonalnih, načrtovanih transkripcijskih regulatorjev je osrednje vprašanje sintezne biologije. Razvili smo inovativen dizajn TALE DNA vezavne domene, ki se ovije okrog DNA ter topološko preko intramolekularne reverzibilne ciklizacije nadzoruje izražanje. Razvili smo dva mehanizma nadzora ciklizacije, odvisne od liganda ali vezane na cepitev inteina in ju uporabili pri pripravi logičnih vrat (Lonzarić in sod., Nucl. Acids Res.). TALE in dcas9 vezavne domene smo uporabili za izgradnjo funkcionalnega NOR-vezja v sesalskih celicah ter medsebojno primerjali prednosti in slabosti obeh platform. Platformi sta izkazovali dobro ortogonalnost pri prepoznavanju istih sekvenc DNA. Čeprav je sistem CRISPR/dCas9 lažji za načrtovanje in izgradnjo, pa je vezava aktivatorjev TALE močnejša ter delovanje platforme TALE zanesljivejše pri izvedbi vezij z več ravnmi regulacije (Lebar in Jerala, ACS Synth. Biol.). Razvili smo mikroenkapsulirano protivnetno napravo (slika ) kot avtonomno celično terapijo z možnostjo zunanjega nadzora preko kemijskega signala. Bistvo naprave so človeške celice, spremenjene tako, da samostojno prepoznajo vnetje v telesu in začno proizvajati ter izločati protivnetne proteine kot zdravilo. Ovoj kapsule terapevtske celice ščiti pred bolnikovim imunskim sistemom, tako bi lahko uporabili enak tip celic za vse paciente, kar poveča dostopnost celičnega zdravljenja. Delovanje smo pokazali na celičnih kulturah ter v drophobic amino acid residues in the binding pocket. Val35 was shown to be crucial for differences in the lipid A binding between species (Vašl et al., J. Immunol.). In the topic of synthetic biology, we invented a new principle of gene transcriptional regulation via designed TALE proteins, where we exploited the fact that the protein chain is wrapped around the DNA. Through the cyclisation of TALEs either covalently or noncovalently, we can reversibly lock the protein to the DNA. This method allowed the construction of a large number of logic functions in cells and strong differentiation between the level of gene transcription in an active and inactive state (Lonzarić et al., Nucl. Acids Res.). We compared the functionality of the TALE and dcas9 binding domain platforms. Both platforms are able to target rarely occurring DNA segments, even within complex genomes. Both platforms exhibited good orthogonality and were used to construct functionally complete NOR gates. Although the CRISPR/dCas9 system is clearly easier to construct, TALEbased activators were significantly stronger and the TALE-based platform performed better, especially for the construction of layered circuits (Lebar in Jerala, ACS Synth. Biol.). We designed a microencapsulated anti-inflammatory device (Figure ) serving as autonomous cell therapy with the possibility of external control by a chemical signal. Genetically modified mammalian cells in the core of the device autonomously recognise inflammation 30 Letno poročilo 206 _ Annual Report 3

67 2 3. Shema delovanja sintetične protivnetne naprave. Protivnetna naprava obsega tri osnovne module (zaznavni, ojačevalni in izvršilni), ki so povezani preko transkripcijskega aktivatorja Gal4-VP6 (GV6) in dveh podpornih modulov (inducibilno stikalo za izklop ter modul za zaznavni prag) (Smole et al., Molecular Therapy 207). 2. Pravilo prostih koncev kot topološki dejavnik za zlaganje večstranih nanostruktur iz ene verige DNK. (a) Linearna ureditev ortogonalnih parov komplementarnih modulov, ki se povežejo v dvojne vijačnice in tvorijo robove piramide. (b) Možne povezave med komplementarnimi moduli. (c) Prve povezave med ortogonalnimi pari privedejo do nastanka vozlov (X), dveh neodvisnih lasnic (S) ali lasnice z notranjo zanko (P). Nestrukturirani terminal segmenti (T) so označeni rdeče, zanke (H) in notranje zanke (L) modro ter notranji nestrukturirani odseki (I) svetlo modro. (d-f) Izvedljive in neizvedljive povezave, ki sledijo prvim povezavam s križanjem (d), zaporedno (e) ali vzporedno vezavo (f). (Kočar et al., Nature Communications 206). 3. Mutacija Leu265Pro proteina MyD88 povzroča konstitutivno aktivacijo MyD88-signalne poti pri nekaterih vrstah limfoma. Komunikacijska vozlišča, pomembna za tvorbo dimera proteina MyD88 so označena s puščicami in so v interakcijski ravnini dveh molekul MyD88. Nekatere z limfomom povezane mutacije (npr. L265P) so neposredno v komunikacijskih vozliščih (oranžno) ali v neposredni bližini ravnine (rdeče). Vozlišča, za katera še ni poznano, ali so povezana z limfomom, so prikazana zeleno (Avbelj et al., Blood 204).. Schematic design of the synthetic anti-inflammatory device. The anti-inflammatory device comprises three basic modules (a sensor, an amplifier and an effector), which are connected through the transcriptional activator Gal4- VP6 (GV6) and two supporting modules (an inducible OFF-switch and a thresholder). (Smole et al., Molecular Therapy 207). 2. The free end rule as a topological determinant for the folding of polyhedral single-chain DNA nanostructures. (a) The linear arrangement of orthogonal pairs of complementary modules that bind to form the double-helical edges of the pyramid. (b) Possible elementary relations between two connections are depicted. (c) Pairing between the initial connections can lead to the formation of knots (X), two independent hairpins (S) and hairpins with internal loops (P). Unstructured terminal segments (T) are depicted in red, hairpin loops (H) and internal loops (L) in blue, and an internal unstructured segment (I) in cyan. (d f) Favoured versus unfavoured connections following initial connections in a cross (d), series (e) or parallel relation (f). (Kočar et al., Nature Communications 206). 3. Mutation Leu265Pro of the protein MyD88 causes constitutive activation of the MyD88-signalling pathway in certain types of lymphoma. Communication hubs important for MyD88 dimer formation are indicated by arrows and located in the interaction plane within the MyD88 dimer. Some lymphoma-associated mutations (L265P among others) directly map to hub positions (orange spheres) or are located within this plane (red spheres). Hub positions for which no lymphoma-associated mutations have been reported so far are shown as green spheres. (Avbelj et al., Blood 204). Raziskovalci / Researchers dr. Monika Avbelj dr. Mojca Benčina dr. Sabina Božič Abram dr. Igor Drobnak dr. Rok Gaber dr. Helena Gradišar dr. Iva Hafner Bratkovič prof. dr. Simon Horvat dr. Karolina Ivičak Kocjan prof. dr. Matic Legiša dr. Ajasja Ljubetič dr. Jan Lonzarić dr. Andreja Majerle dr. Mateja Manček Keber dr. Martina Mohorčič dr. Tina Tinkara Peternelj dr. Gabriela Panter dr. Jelka Pohar dr. Anže Smole Doktorski študenti / PhD Students Jana Aupič Tina Fink Vida Forstnerič Anja Golob Urbanc Lucija Kadunc Duško Lainšček Tina Lebar Katja Leben Maja Meško Tjaša Plaper Petra Sušjan Žiga Strmšek Fabio Lapenta Van Thai Ha Strokovni sodelavci in tehnično osebje / Technical Staff Robert Bremšak Darija Oven Anja Perčič Jure Prešeren Bojana Stevović Irena Škraba Anže Verbič Tjaša Marolt Anja Kristl 32 Letno poročilo 206 _ Annual Report 33

68 predkliničnih raziskavah na živalskem modelu vnetne črevesne bolezni (Smole in sod., Mol. Ther.) Na področju sintezne biologije raziskujemo in načrtujemo kompleksne DNK ali proteinske strukture. Na primeru DNK piramide smo identificirali pravila za tvorbo na osnovi topologije (t.i.»free end rule«; slika 2). Na osnovi teh pravil smo dizajnirani štiristrano DNK piramido iz ene verige, ki se zelo hitro učinkovito sestavi v pravilno strukturo, za razliko od struktur, ki ne upoštevajo teh pravil (Kočar in sod., Nature Communications). Bibliografija in the body and start producing and secreting anti-inflammatory proteins as an active substance. The encapsulation protects the therapeutic cells from the immune system, which enables us to use the same type of cells for all patients. The device was proved functional in cell lines as well as in an animal model of endogenous cecal inflammation (Smole in sod., Mol. Ther.). In the field of synthetic biology we design DNA or protein bionanostructures. In the case of a DNA square pyramid we identified rules for the formation of the highly knotted structure ("free end rule", Figure 2). Based on these rules, we designed a single chain square DNA pyramid which rapidly and effectively folds into the correct knotted structure, unlike structures that do not follow these rules (Kočar et al., Nature Communications). Bibliography izvirnih znanstvenih člankov strokovni članek poljudni članek samostojna znanstvena sestavka ali poglavji v monografskih publikacijah univerzitetni, visokošolski ali višješolski učbenik z recenzijo drugo učno gradivo objavljeni znanstveni prispevek na konferenci objavljenih povzetkov znanstvenih prispevkov na konferencah (vabljena predavanja) objavljenih povzetkov znanstvenih prispevkov na konferencah objavljeni povzetek strokovnega prispevka na konferenci patentne prijave patent prispevki na konferencah brez natisa vabljena predavanja na konferencah brez natisa končna poročila o rezultatih raziskav diplom magisteriji doktorati uredništva revij Original Scientific Articles Professional Article Popular Article Independent Scientific Component Parts or Chapters in Monographs Reviewed University, Higher Education or Higher Vocational Education Textbook Other Educational Material Published Scientific Conference Contribution Published Scientific Conference Contribution Abstracts (Invited Lectures) Published Scientific Conference Contributions Published Professional Conference Contribution Abstract Patent Applications Patent Unpublished Conference Contributions Unpublished Invited Conference Lectures Final Research Reports Undergraduate Theses Master s Theses Doctoral Dissertations Journal Editorships 34 Letno poročilo 206 _ Annual Report 35

69 Odsek za katalizo in reakcijsko inženirstvo Department of Catalysis and Chemical Reaction Engineering Vodja / Head doc. dr. Blaž Likozar D3 Kemijsko inženirstvo od kvantnokemijskih izračunov in statistične fizike do reakcijskih mehanizmov in mikrokinetike heterogeno kataliziranih reakcij Ključne dejavnosti Na odseku se ukvarjamo s kvantitativnim opredeljevanjem kemijskih pretvorb različnih izhodnih specij v želene produkte v homogenih in heterogenih kataliziranih ali nekataliziranih reakcijskih sistemih in s sintezo ter karakterizacijo trdnih katalizatorjev. S teoretskimi in eksperimentalnimi raziskavami opredeljujemo termodinamske stopnje teh pretvorb, določamo kinetiko reakcij, ki jo potrebujemo za napoved potrebnega reakcijskega časa za doseganja želene stopnje pretvorbe in za določevanje dimenzij naprav, v katerih potekajo procesi. Ker v praksi večina fizikalnih in kemijskih pretvorb poteka v večfaznih sistemih, je poudarek na interakciji kemijske kinetike s transportnimi pojavi ter dinamiko fluidov. Znotraj teoretičnih raziskav uporabljamo tudi metode kvantne kemije in statistične termodinamike, ki omogočajo vpogled v dogajanje na katalizatorju na atomski skali. S kvantno kemijskimi metodami študiramo stabilne strukture reaktantov in intermediatov na katalizatorjih ter različne mehanizme njihovih Chemical engineering from quantum chemical calculations and statistical physics to insights into the mechanism and microkinetics of heterogeneously catalysed reactions Topic Areas The members of the department are engaged in quantitative determination of the chemical transformations of various reactant species into desired products in homogeneous and heterogeneous catalysed and non-catalysed reaction systems, as well as in the synthesis and evaluation of new catalytic materials. With the help of theoretical and experimental research methods we determine the thermodynamic feasibility of these transformations and measure the intrinsic reaction rates, which are needed for predicting the reaction times required for obtaining the desired level of conversion and for dimensioning process equipment and reactors. Owing to the fact that in practice, most of the physical and chemical transformations proceed in multiphase systems, the emphasis of our research is focused on the interaction of chemical kinetics with transport phenomena and fluid dynamics. Within the theoretical research, quantum chemistry and statistical thermodynamics medsebojnih pretvorb, z metodami statistične termodinamike pa iz tega izpeljemo celotno reakcijsko kinetiko. S tem napovemo aktivnost posameznih katalizatorjev ter pojasnjujemo opažene eksperimentalne rezultate. Osnovni poudarek raziskav je na: študiju kinetike in mehanizmov kataliziranih reakcij v procesih proizvodnje in čiščenja vodika ter načrtovanju kompaktnega procesorja za proizvodnjo vodika iz primarnih goriv (fosilnih in obnovljivih) za PEM-gorivne celice; preučevanju kemijske kinetike, prenosa snovi in hidrodinamike pri postopku hidrogeniranja utekočinjenega lesa in iz biomase izvirajočih komponent (vpliv temperature, tlaka, ogrevalne hitrosti, mešanja, količine in vrste katalizatorja ter topila); sintezi ter strukturni in elektrokemični karakterizaciji novih anodnih in katodnih katalizatorjev z nizko vsebnostjo plemenitih kovin za uporabo v PEM-gorivni celici in elektrolizerju; razvoju naprednih elektrokemijskih karakterizacijskih orodij za študij raztapljanja plemenitih kovin za namene razumevanja stabilnosti katalizatorjev in postopkov njihovega recikliranja; načrtovanju mikroreaktorjev za proizvodnjo vodika iz metanola z reformingom ali dekompozicijo v prenosnih napajalnih sistemih z gorivnimi celicami; methods are also used, which allow us to understand the atomic processes on catalysts. The stable structures of reactants and intermediates on catalysts and different mechanisms for their interconversion are studied with quantum chemistry, while bulk reaction kinetics then follows from statistical thermodynamics. In this manner, we predict the activity of individual catalysts and explain the experimental results. The emphasis of the research is focused on: the study of chemical kinetics, mass transfer and hydrodynamics in liquefied wood and biomass-derived precursors hydrogenation process (the effect of temperature, pressure, heating rate, mixing, type and content of the catalyst, and solvent quantity) the study of the kinetics and mechanisms of catalysed reactions in the hydrogen production and cleaning processes; the design of compact processor for hydrogen production from primary sources (fossil and renewable) for PEM fuel cells; the synthesis, structural and electrochemical characterization of new anode and cathode catalysts with a low content of precious metals for PEM fuel cells and electrolysers; the development of advanced electrochemical characterization tools for studying the dissolution of precious metals for 36 Letno poročilo 206 _ Annual Report 37

70 3 toplotni integraciji reformerja metanola in visokotemperaturne PEM-gorivne celice v prenosnih napajalnih sistemih z gorivnimi celicami; interpretaciji eksperimentalnih meritev na podlagi matematičnega modeliranja in optimizacije parametrov; študiju termodinamskega faznega ravnotežja, faznih prehodov in topnosti pri povišanih temperaturah ter tlakih, tudi v superkritičnem področju, območju kritične točke ali blizu kritičnih pogojev za načrtovanje, optimizacijo in vodenje kemijskih in separacijskih procesov; uporabi kvantno kemijskih in statistično fizikalnih izračunov za opredeljevanje 2. Koadsorbirana OH in 2-heksilni radikal na katalizatorju NiMoS po cepitvi vezi C-O heksanola. 2. Shema postopka za virtualno nasutje različnih delcev v cevne reaktorje. 3. Visoko temperaturni paralelni reaktorski sistem za nadgradnjo/transformacijo metana.. Coadsorbed OH and 2-hexyl radical on NiMoS catalyst after the scission of the hexanol C-O bond. 2. Scheme of the procedure for the virtual packing of fixed bed reactors with arbitrary particles. 3. High-temperature parallel reactor system for methane valorisation. the purposes of understanding catalyst stability and recycling principles; designing a microreactor for hydrogen production through methanol reforming or decomposition in wearable charging systems with fuel cells; the development of a heat-integrated system methanol reformer high-temperature PEM fuel cell in wearable charging systems; the interpretation of experimental data through mathematical modelling and the optimisation of parameters; thermodynamic phase equilibria, phase transition and solubility study at higher temperatures and pressures up to superreakcijskih mehanizmov in mikrokinetike heterogeno kataliziranih reakcij. Glavni dosežki v letu 206 S kvantno kemijskimi in statistično fizikalnimi izračuni smo opredelili reakcijske mehanizme heterogeno kataliziranih reakcij, s katerimi smo razložili in potrdili številne eksperimentalne rezultate. V okviru projekta MefCO2 v Obzorju 2020 smo z gotovostjo dognali mehanizem hidrogenacije ogljikovega dioksida v metanol [COBISS.SI-ID ]. Osvetlili smo tudi mehanizme številnih drugih reakcij in jih eksperimentalno podprli, zlasti smo se osredotočili na hidrodeoksigenacijo utekočinjene biomase in valorizacijo ogljikovodikov. V sklopu projekta Obzorja 2020, ADREM ( smo skonstruirali in postavili dva tipa plazemskih reaktorjev z vso pripadajočo infrastrukturo. Opredelili smo doprinos plazme na potek reakcije v homogeni fazi za reakciji suhega reforminga metana in parcialne oksidacije metana s kisikom. V prvem primeru smo kot produkt pridobili sintezni plin, v drugem pa različne kisikove organske molekule (metanol, formaldehid, ocetna kislina...). Nadaljujemo s študijem plazemsko stimulirane katalize s proučevanjem vpliva različnih katalizatorjev na porazdelitve produktov za študirani reakciji v obeh reaktorskih konfiguracijah. V letu 206 smo nadaljevali z raziskavami pretvorbe biomase v tekoča goriva in produkte višje vrednosti. Raziskovali smo možnost sočasnega utekočinjanja in katalitske hidrodeoksigenacije lesa v reaktorju z goščo ter določili vpliv temperature, tlaka, časa reakcije in izbire tipa katalizatorja ter lesa [COBISS. SI-ID ]. V sodelovanju z italijanskim industrijskim partnerjem je bila pripravljena mednarodna patentna prijava (PCT), ki obsega razvoj novega procesa in opreme za odstranjevanje anorganskih komponent iz trdne lignocelulozne biomase, odgovornih za tvorbo pepela pri gorenju. Proces obsega utekočinjanje biomase s solvolizo, filtracijo anorganskega critical, critical or near-critical conditions for the design, optimisation and control of chemical and separation processes; the application of quantum chemical calculations and statistical physics for getting a mechanistic insight into the reaction network and microkinetics of heterogeneous catalysed reactions. Important achievements in 206 The mechanisms of a range of heterogeneously catalysed chemical reactions were studied using quantum chemical and statistical physics research. By providing a mechanistic insight into the reactions, we further explained and confirmed many experimental results. Within the scope of the Horizon 2020 project MefCO2 ( we provided a thorough and solid understanding of the reaction pathway leading to methanol when hydrogenating carbon dioxide [COBISS.SI-ID ]. The mechanisms of several other catalysed reactions were also elucidated and experimentally confirmed, with an emphasis on the hydrodeoxygenation of liquefied biomass and hydrocarbon valorisation. In the scope of the Horizon 2020 project - ADREM ( two types of plasma reactors with required accessories were designed and constructed. We defined the contribution of plasma to homogeneous phase reactions for the reaction of methane dry reforming and the partial oxidation of methane with oxygen. In the first case, the syngas was obtained as a product, while in the second case, several oxygenated organic molecules were obtained (methanol, formaldehyde, acetic acid,...). We continue with a study of plasma-stimulated catalysis by studying the influence of different catalysts on the distribution of products for the studied reactions in both reactor configurations. Research of biomass conversion into liquid fuels and added-value chemicals continued in 206. Simultaneous solvolysis and catalytic 38 Letno poročilo 206 _ Annual Report 39

71 ostanka in regeneracijo topila z destilacijo. V okviru projekta Obzorja 2020, nextbio- PharmDSP ( Novi razred zaključnih postopkov v biofarmacevtiki, smo določili lastnosti sorbentov za afinitetno kromatografijo. Na podlagi matematičnega modeliranja in optimizacije smo določili optimalne vrednosti obratovalnih parametrov, na podlagi katerih je predstavnikom biofarmacije uspelo na laboratorijskem kromatografskem sistemu povečati produktivnost procesa. hydrodeoxygenation of wood was investigated in the slurry reactor and the influence of the reaction time, temperature, pressure and the types of wood and catalyst on the products yield was determined [COBISS.SI-ID ]. In collaboration with an Italian industrial partner, the development of a new process and equipment for inorganic compound removal from solid ash-rich biomass feedstock, responsible for ash and slag formation during incineration, has been patented (international PCT application). The process involves the liquefaction of biomass by solvolysis, filtration of inorganic residue and solvent regeneration by distillation. Within the scope of the Horizon 2020 project nextbiopharmdsp ( eu/), we determined the properties of the best sorbents for affinity chromatography. On the basis of mathematical modelling and optimisation, the optimal values of operating parameters were determined. Experiments carried out on a laboratory chromatographic system confirmed that theoretically optimised values increase process productivity. Raziskovalci / Researchers dr. Gorazd Berčič dr. Ljudmila Fele Žilnik dr. Nejc Hodnik doc. dr. Andrej Pohar assist. prof. dr. Miha Grilc dr. Matej Huš dr. Drejc Kopač dr. Uroš Novak dr. Venkata Desireddy dr. Andraž Pavlišić dr. Jigneshkumar K. Valand dr. Harinarayanan Piliyalil dr. Liu Jing-Lin dr. Jernej Gašperšič Bibliografija Doktorski študenti / PhD Students David Bajec Neja Strah-Štefančič Brigita Hočevar Damjan Lašič-Jurković Anže Prašnikar Marko Trampuž Strokovni sodelavci in tehnično osebje / Technical Staff Urška Kavčič Saška Javornik Karmina Špilar Matic Grom Mojca Seručnik Mitja Ogrizek Zaslužna raziskovalca / Researcher Emeritus dr. Stanko Hočevar akademik prof. dr. Janez Levec Bibliography izvirnih znanstvenih člankov pregledni znanstveni člankek strokovnih člankov poljudni članek intervjujev znanstvena monografija objavljena znanstvena prispevka na konferencah (vabljeni predavanji) objavljenih znanstvenih prispevkov na konferencah objavljena povzetka znanstvenih prispevkov na konferencah (vabljeni predavanji) objavljenih povzetkov znanstvenih prispevkov na konferencah patentne prijave prispevkov na konferencah brez natisa končnih poročil o rezultatih raziskav diplomi magisteriji doktorata uredništva revij Original Scientific Articles Review Article Professional Articles Popular Article Interviews Scientific Monograph Published Scientific Conference Contributions (Invited Lectures) Published Scientific Conference Contributions Published Scientific Conference Contribution Abstracts (Invited Lectures) Published Scientific Conference Contribution Abstracts Patent Applications Unpublished Conference Contributions Final Research Reports Undergraduate Theses Master s Theses Doctoral Dissertations Journal Editorships 40 Letno poročilo 206 _ Annual Report 4

72 Odsek za strukturo biomolekul Department of Biomolecular Structure Vodja / Head dr. Franc Avbelj D4 Naš glavni cilj je rešiti problem zvitja proteinov. Problem zvitja proteinov spada med ključne probleme znanosti. Odkriti je potrebno, na kakšen način zaporedje aminokislinskih ostankov določa strukture proteinov. Rešitev problema bo omogočila napovedovanje struktur proteinov z računalniki, kar bo pripomoglo pojasniti njihove biološke funkcije Ključne dejavnosti Zvitje proteinov. Različna stanja proteinov (amiloidna vlakna, denaturirani proteini, intrinzično nestrukturirani proteini). Nekovalentne interakcije (vodikova vez, elektrostatika, solvatacija). Hidrofobni efekt. Interakcije ligand-receptor. Določanje tridimenzionalnih struktur in dinamike biomolekul. Simulacije zvitja proteinov (napovedovanje tridimenzionalnih struktur proteinov). Razvoj metod za izvajanje in analizo klasičnih in ab-initio simulacij moleku- Our main objective is to solve the protein folding problem i.e. finding the code for how a sequence of amino acid residues determines the structure of a protein. Solving the protein folding problem will enable accurate predictions of protein structures using computers, which will help in clarifying the biological functions of proteins Topic Areas Protein folding Various protein states (amyloid fibrils, denaturated proteins, intrinsically unstructured proteins) Non-covalent interactions (hydrogen bonding, electrostatics, solvation) Hydrophobic effect Ligand-receptor interactions Determining the three-dimensional structure and dynamics of bio-molecules Simulations of protein folding (predictions of three-dimensional structures) Methods development for the implementation and analysis of classical and abinitio molecular dynamics simulations larne dinamike pri reševanju problemov molekularne biofizike. Razvoj teoretičnih modelov za opis molekularnih procesov. Glavni dosežki v letu 206 Fizikalni izvor hidrofobnosti Hidrofobnost snovi je eden izmed najbolj pomembnih pojavov v znanosti. Kljub sedmim desetletjem intenzivnega raziskovanja še vedno ni jasno, zakaj hidrofobne snovi odbijajo vodo. Za študij hidrofobnosti na najbolj osnovnem nivoju smo uporabili majhne, popolnoma hidrofobne topljence (alkani, žlahtni plini) v vodi. Klasična razlaga hidrofobnosti je, da se v bližini hidrofobnih topljencev oblikujejo majhne»ledene gore«ali»icebergs«, vendar pa eksperimentalnega dokaza za obstoj»ledenih gora«ob hidrofobnih molekulah do sedaj še ni bilo. Pokazali smo, da v bližini hidrofobnih topljencev takšne»ledene gore«dejansko obstajajo kot posledica ojačanih vodikovih vezi med molekulami vode. Pokažemo tudi, da je fizikalni izvor hidrofobnosti v elektrostatskem senčenju, kar je popolnoma nova razlaga hidrofobnosti molekul. Konformacijske lastnosti peptidov v povezavi z njihovo biološko funkcijo Z uporabo NMR in simulacij molekularne dinamike smo določali potencialno biološko pomembne konformacijske lastnosti podused to elucidate problems of molecular biophysics The development of theoretical models for the description of molecular processes. Important achievements in 206 The origin of hydrophobicity Hydrophobicity is one of the most important phenomena in science. The physical origin of hydrophobicity remains unclear even after seven decades of intense research. We used small, purely hydrophobic solutes (alkanes, noble gases) in water as models to study hydrophobicity at the most fundamental level. The classical explanation of hydrophobicity is that tiny icebergs are formed near hydrophobic solutes; however, no experimental proof has been advanced for their existence. We show that such icebergs are indeed formed near hydrophobic solutes due to enhanced water hydrogen bonding. A new explanation of the physical origin of hydrophobicity is proposed based on electrostatic screening. Conformational properties of peptides in relation to their biological function A combined NMR and molecular dynamics simulation study is used to determine the conformational properties of the biological importance of the rat/mouse my- 42 Letno poročilo 206 _ Annual Report 43

73 2 3. A. Rdeči premik frekvence OD valenčnega nihanja v raztopini metana (rdeč spekter), klatrata (moder spekter) in ledu (zelen spekter). Referenčni spekter HOD vode je predstavljen s črno barvo. B. Rdeči premik frekvence OD valenčnega nihanja v raztopini metana, ksenona, etana in kriptona. 2. Teoretična razlaga ojačitve vodikovih vezi v bližini molekule metana, raztopljenega v vodi. 3. Dekompozicija amidnega I in III območja konkanavalina A pri tvorbi amiloidnih fibril. Rdeči trakovi pripadajo nastalim fibrilam.. A. Red shift in methane solution (red spectrum), clathrate (blue spectrum) and ice (green spectrum). The black spectrum belongs to reference bulk HOD. B. Red shifts of OD stretching vibration in a water solution of methane, xenon, ethane and krypton. 2. Theoretical explanation of the strengthening of hydrogen bonds in the vicinity of a methane molecule dissolved in water. 3. Modelling of the Amide I and III region of concanavaline A upon fibrillation. The red bands are attributed to fibrillated protein. Raziskovalci / Researchers Prof. dr. Simona Golič Grdadolnik Prof. dr. Jože Grdadolnik Prof. dr. Franci Merzel Dr. Darko Kocjan Dr. Martina Glušič Doktorski študenti / PhD Students Marko Sever Urban Novak Strokovni sodelavci in tehnično osebje / Technical Staff Tina Gregorič ganje/mišjega epitopa oligodendrocit glikoproteina (MOG35-55), ki inducira eksperimentalni autoimuni encefalomielitis (EAE) in je vpleten v multiplo sklerozo. Primerjava konformacijskih posebnosti v različnih raztopinah in s kristalografskimi podatki pojasnjuje, da lahko z zamenjavo aminokislinskih ostankov R4 in R46 z alaninom pričakujemo zmanjšanje resnosti kliničnih simptomov EAE, ki jih inducira MOG. elin oligodendrocyte glycoprotein (MOG35-55) epitope implicated in the induction of experimental autoimmune encephalomyelitis (EAE) and multiple sclerosis disease. Comparison of conformational features in various solution environments and with crystallographic data explained that alternations of R4 and R46 residues with alanine amino acid are expected to reduce the severity of MOG-induced EAE clinical symptoms. Zaslužni raziskovalec / Researcher Emeritus Akad. prof. dr. Dušan Hadži 44 Letno poročilo 206 _ Annual Report 45

74 Vibracijska spektroskopija Raziskovali smo nizko temperaturne ramanske spektre (8-300 K) polikristalinične in kristalinične oblike oksalne kisline dihidrata. Pokazali smo, da lahko nizkotemperaturne spektre razložimo le s predpostavljenim zlomom simetrije in prenosom karboksilatnega protona na molekulo vode. S spektroskopsko podporo smo sodelovali pri sintezi anataza/ rutila/brukit TiO2 nanokompozitnih materialov, ki so namenjeni za učinkovito čiščenjem onesnaženih vod. Nano-celulozna vlakna Raziskovali smo mreženje nano-celuloznih vlaken obdelanih z borovo kislino v odvisnosti od ph. Z analizo B MAS in 3C CPMAS NMR spektroskopije trdne snovi ter FTIR in Ramansko spektroskopijo smo dokazali, da nanocelulozna vlakna premrežena z anionskim boratom, zoglenijo oz. se popolnoma pretvorijo v grafitno strukturo pri 450 C. Pena, ki jo pripravimo s sušenjem in zamrzovanjem hibrida dispergiranega s sepiolitom, je odporna na vžig. Vibrational spectroscopy We studied the low-temperature Raman spectra (8-300 K) of crystalline and polycrystalline oxalic acid dihydrate. We have shown that the low-temperature spectra can only be interpreted by an assumption of symmetry breakdown and proton transfer from the carboxylic group to a water molecule. We cooperated by providing spectroscopic support in a study of a simple synthesis procedure of anatase/rutile/brookite TiO2 nanocomposite material, designed for the efficient transformation of emerging water pollutants to CO2 and H2O. Nano-cellulose fibres We have investigated the chemistry of the phdependent cross-linking of boric acid or borate anions with nano-cellulose (CNF). Analysis of the thermally annealed residues by a combination of B MAS and 3C CP/MAS NMR, Raman, and IR spectroscopy shows that the formation of a CNF borate hybrid promotes charring and the complete transformation of the polysaccharide at 450 C into a graphitised structure. The preparation of freeze-cast foams from nano-cellulose borate hybrids with the addition of sepiolite clay results in the complete suppression of polymer ignition on radiant heat exposure. Bibliografija Bibliography izvirnih znanstvenih člankov kratki znanstveni prispevek drugo učno gradivo objavljena znanstvena prispevka na konferencah objavljena povzetka znanstvenih prispevkov na konferencah (vabljeni predavanji) objavljena povzetka znanstvenih prispevkov na konferencah prispevek na konferenci brez natisa končno poročilo o rezultatih raziskav izvedensko mnenje, arbitražna odločba uredništva revij Original Scientific Articles Short Scientific Article Other Educational Material Published Scientific Conference Contributions Published Scientific Conference Contributions Abstract (Invited Lectures) Published Scientific Conference Contribution Abstracts Unpublished Conference Contributions Final Research Report Expertise, Arbitration Decision Journal Editorships 46 Letno poročilo 206 _ Annual Report 47

75 Nacionalni center za NMR spektroskopijo visoke ločljivosti Slovenian NMR Centre Vodja / Head prof. dr. Janez Plavec D5 NMR-spektroskopija ključna metoda na področju ved o življenju in materialov Ključne dejavnosti Študij struktur oligomernih fragmentov nukleinskih kislin ter konformacijskih sprememb gradnikov DNK ob interakciji s kovinskimi ioni. Študij struktur in dinamike proteinov, zvijanja proteinov in molekularnih interakcij peptidov z lipopolisaharidi. Študij interakcij med ligandi in receptorji. Študij struktur in dinamike antibiotikov v povezavi z njihovim biološkim učinkom. Raziskave struktur in dinamike organskih molekul, detekcije in karakterizacije reaktivnih intermediatov pri reakcijah organskih in organokovinskih spojin. Razvoj novih sintetskih metodologij na osnovi asimetrične katalize. Uporaba lastnih metodologij za pripravo industrijsko relevantnih molekul. Študij konformacijskih lastnosti anionskih receptorjev in transporterjev. Študij naravnih produktov. Študij struktur in konformacijskih ravnotežij metabolitov v raztopini in v trdnem stanju. Določanje neželenih stranskih in razgradnih produktov v zdravilih. Karakterizacija kemijskih struktur poro- NMR spectroscopy a key method in life sciences and materials Topic Areas The structure of oligomeric nucleic acid fragments and conformational changes in building blocks of DNA upon interaction with metal ions, protein structure and dynamics, protein folding and molecular interactions of peptides with lipopolysaharides, ligand-receptor interactions, the structure and dynamics of antibiotics in relation to their biological role, the structure and dynamics of organic molecules, detection and characterization of reactive intermediates in reactions of organic and organometallic compounds, the development of new synthetic organic methodologies based on asymmetric catalysis, the applications of our methodologies for the preparation of industrially relevant molecules, conformational preferences of anion receptors and transporters, natural products, changes in erythrocytes during disease, the structure and conformational equilibria of metabolites in solution and in a solid state, znih materialov na fosfatni osnovi in strukturnih sprememb v procesu hidrotermalne sinteze zeolitov. Študij struktur in čistosti polimernih materialov, vsebnosti stranskih produktov olimerizacije, mehanizmov polimerizacije, lastnosti polimerov z načrtovano makromolekularno strukturo. Določanje kakovosti in geografskega porekla slovenskih vin. Glavni dosežki v letu 206 []. Z gvanini bogata zaporedja DNK se v prisotnosti kationov zvijejo v štirivijačne sekundarne strukture imenovane G-kvadrupleksi. Ti se lahko tvorijo v telomernih zaporedjih, v regulatornih območjih pa tudi v genomih virusov. V zadnjih letih je bilo opisano večje število struktur G-kvadrupleksov v in vitro pogojih, medtem ko je njihov obstoj v celicah še vedno težko dokazljiv. Ligand DAOTA-M2 je pokazal dobre lastnosti kot optična sonda za detekcijo G-kvadrupleksov v celicah. Za ta ligand je značilna veliko daljša življenjska doba fluorescence po vezavi na G-kvadrupleks v primerjavi z njeno prosto obliko, ali ko je vezana na enoali dvovijačno DNK. S pomočjo spektroskopije NMR smo preučili interakcije med DAOTA-M2 in G-kvadrupleksom, v katerega se zvije promotorska regija gena c-myc. Določili smo prostorsko strukturo kompleksa s stehiometrijo : 2 med G-kvadrupleksom in DAOTA-M2 (pdb determination of by-products in pharmaceuticals and their metabolites, structural characterization of phosphatebased porous materials and structural changes in the process of the hydrothermal synthesis of zeolites, the structure and purity of polymers, byproducts of polymerization, mechanisms of polymerization and properties of polymers with designed macromolecular structure, determination of the authenticity, quality and origin of Slovenian wines. Important achievements in 206 []. Guanine-rich DNA sequences can fold into four-stranded DNA structures called G-quadruplexes. They have been shown to form in telomere regions of a genome, in the regulatory regions and in the genomes of viruses. The formation of G-quadruplexes in vitro has been unambiguously demonstrated, while their detection inside living cells is still a challenging task. A small-molecule optical probe DAOTA- M2 provides a means to monitor G-quadruplexes in cells. A key feature of DAOTA-M2 is its significantly longer fluorescence lifetime upon binding to G-quadruplexes in comparison to a free probe in solution or bound to singleor double-stranded DNA. Using NMR spec- 48 Letno poročilo 206 _ Annual Report 49

76 2 3 4 id: 5LIG5). Pridobljene strukture informacije o kompleksu so omogočile boljše razumevanje interakcij, ki so povezane z edinstvenimi fluorescentnimi lastnostmi DAOTA-M2 ter s tem ponudile možnost za načrtovanje novih optičnih sond z večjo afiniteto in selektivnostjo. Rezultati študije so bili objavljeni v reviji Angew. Chem. Int. Ed. (206, 55, ). [2]. Človeške telomere sestavljajo ponavljajoča se zaporedja šestih nukleotidov TTAGGG, ki so na 3 -koncu linearnih kromosomov in imajo pomembno vlogo pri staranju organizma ter predstavljajo obetajoče tarče za razvoj zdravil pri malignih tumorjih. Na primeru oligonukleotida d[taggg(ttaggg)2ttagg] iz človeške telomerne regije, ki se v prisotnosti K+ ionov zvije v več sekundarnih struktur, smo prvič pokazali, kako lahko s spremembo phvrednosti reguliramo zastopanost različnih struktur v ravnotežju. Študija z uporabo NMR je razkrila, da je pretvorba med G-quadrupleksnima strukturama TD in KDH+, ki dominirata pri skrajnih ph-vrednostih, povezana s procesom (de)protonacije enega od nukleotidnih ostankov, kar predstavlja gonilno silo omenjene ph-stimulirane pretvorbe. Lastnosti, kot so reverzibilnost, ponovljivost in hitra odzivnost procesa ponujajo številne možnosti za njegovo uporabo, med drugimi kot konformacijska stikala znotraj celic, ki nadzirajo interakcije s specifičnimi ligandi in proteini. Rezultati te študije so bili objavljeni v Angew. Chem. Int. Ed. (206, 55(6), ). troscopy, we characterised the interactions between DAOTA-M2 and the G-quadruplex formed by the promoter region of the c-myc gene. NMR data indicates the formation of a well-defined complex between G-quadruplex and DAOTA-M2 with :2 binding stoichiometry (pdb id: 5LIG5). The obtained structural information allows an in-depth understanding of how triangulenium probes interact with G- quadruplexes and stimulates the further development of novel fluorescence probes with improved selectivity and affinity. The results of our study were published in the journal Angew. Chem. Int. Ed. (206, 55, ). [2]. Human telomere sequences at the 3 - ends of linear chromosomes comprise hexanucleotide TTAGGG repeats that are associated with cellular ageing and are promising targets for anticancer drug development. Diverse topologies adopted by telomere G-rich sequences are highly sensitive to the chemical environment and are involved in complex structural equilibria. The oligonucleotide d[taggg(ttaggg)2ttagg] originating from the human telomere sequence has been shown to fold into diverse secondary structures in the presence of K+ ions. Populations of TD and KDH+ forms that are dominant at ph 7 and ph 5 can be controlled and switched by ph changes in a reversible fashion. Moreover, NMR studies revealed that the (de)protonation of the specific adenine residue is key for ph driven structural transformation. The most noticeable benefits of the system are the longterm reversibility and rapid response, which could be utilised as a conformational switch within different compartments of a living cell enabling specific ligand and protein interactions. The results of this study were published in Angew. Chem. Int. Ed. (206, 55, ). [3]. Vpeljava fluorovih atomov v organske molekule lahko ugodno vpliva na fizikalno-kemijske lastnosti spojin in posledično na njihovo biološko delovanje. Na primer, stranska veriga selektivnega inhibitorja monoamin oksidaze A, befloksatona, vsebuje kiralno-cf3 hidroksimetilno skupino, medtem ko je-cf3,3-glikolilna stereotriada vgrajena v intermediatu molekulske sonde NMR, 9F-označenega bafilomicina A, inhibitor ATPaze. Razvili smo novo, učinkovito in praktično pripravo enantiomerno in diastereomerno čistih α-cf3- substituiranih diolov preko asimetričnega transfer hidrogeniranja diketonov z visoko učinkovitimi kiralnimi rutenijevimi(ii) katalizatorji, razvitimi v naši skupini. Pokazali smo, da je pri dvostopenjski redukciji CF3C(O)-substituiranih benzocikličnih ketonov potekla dvojna dinamična kinetična resolucija, kar je brez primere v literaturi. Študijo smo predstavili v članku v reviji Angew. Chem. Int. Ed. (206, 55, ). Uredniški odbor Synfacts-Thieme Verlag KG je članek izbral za»synfact meseca«(synfacts 206, 6, 589). Revija Synfacts mesečno predstavlja izbrane rezultate raziskav sintezne organske kemije, kot se pojavljajo v primarni literaturi in podaja oceno ter povzetek, obogaten s komentarji strokovnjakov na področju. [4]. Biosorodne učinkovine so zdravila, ki jih vse pogosteje uporabljamo za zdravljenje raka, infekcijskih, avtoimunskih, srčno-žilnih, nevroloških in ostalih boleznih. Lastnosti in prednosti bioloških zdravil so, da so to organizmu domače molekule in pri samem zdravljenju zmanjšajo tveganje stranskih učinkov. Biosorodne učinkovine so velikokrat zelo kompleksne biološke makromolekule, zato so primerjalne študije na nivoju strukture, funkcije in klinične varnosti zelo zahtevne. V sodelovanju z raziskovalci iz Leka v Mengšu smo razvili nove metode na osnovi jedrske magnetne resonance (NMR), ki s pomočjo matematičnih anal- [3]. Owing to their interesting properties, chiral fluoroorganics, especially chiral CF3- substituted molecules, are increasingly encountered in many areas of fundamental research, pharmacy, medicine, agriculture, materials science, etc. Advances in asymmetric synthetic methodologies help the expansion of fluorine chemistry and favourably diversify chiral structures. We developed the first metal-catalysed asymmetric reduction towards α-cf3-,3-glycols in excellent stereopurity. Our new access route to hydroxyalpha-cf3-methanols possessing up to three contiguous stereogenic centres relies on an enantio- and diastereoselective double Dynamic Kinetic Resolution during an efficient and practical ansa-ruthenium(ii)-catalysed asymmetric transfer hydrogenation in formic acid/triethylamine. Most importantly, this concept of double ATH-DKR is unprecedented in the literature. The results were published in Angew. Chem. Int. Ed. (206, 55, ). The article was selected by The Editorial Board of Synfacts-Thieme Verlag KG for its important insights as Synfact of the month (Synfacts 206, 6, 589). In Synfacts, current research results in synthetic organic chemistry, as they appear in the primary literature, are screened, selected, evaluated, summarised and enriched with personal comments by experts in their field. [4]. Biosimilar substances are drugs that are increasingly used to treat cancer, infectious, autoimmune, cardiovascular, neurological and other diseases. The properties and advantages of biological drugs rely on the fact that they represent natural molecules for an organism that reduces the risk of side effects during treatment. Biosimilar substances are very complex biological macromolecules, which makes their 50 Letno poročilo 206 _ Annual Report 5

77 Raziskovalci / Researchers dr. Sabina Božič Abram dr. Mirko Cevec dr. Petra Galer dr. Gregor Ilc dr. Marjan Ješelnik dr. Martina Lenarčič Živković dr. Damjan Makuc dr. Maja Marušič dr. Barbara Mohar dr. Peter Podbevšek dr. Primož Šket dr. Marko Trajkovski dr. Baifan Wang Doktorski študenti / PhD Students Jasna Brčič Andrej Emanuel Cotman Uroš Javornik Vojč Kocman Anita Kotar Gašper Poklukar Urška Slapšak Strokovni sodelavci in tehnično osebje / Technical Staff Miha Friedrich Petra Jaksetič Klemen Pečnik Urška Velikonja Blaž Zupančič Tehnično osebje Eva Jeretin iz omogočajo potrjevanje istovetnosti različnih bioloških zdravil. Za primerjalne študije smo izbrali 2D NMR-eksperimente, pri katerih je intenziteta ali kemijski premik korelacijskega signala odvisen od strukture proteina. Signali NMR tako nosijo podatke, ki predstavljajo proteinski prstni odtis na nivoju strukture. Z matematičnimi metodami na osnovi biosorodnih matrik lahko hitro in natančno primerjamo posamezne prstne odtise vzorcev in določamo indekse podobnosti na strukturnem nivoju. Primerjava je bila uspešno opravljena za dva proteina, in sicer filgrastim in rituximab, ki se uporabljata za zdravljenje nevtropenije (zmanjšano število belih krvnih telesc) in limfoma (rak celic limfatičnega tkiva). Celoten potek in razvoj metode smo objavili v reviji Scientific Reports (206, 6:3220). Bibliografija izvirnih znanstvenih člankov strokovni članek predgovora, spremni besedi objavljeni strokovni prispevek na konferenci (vabljeno predavanje) objavljenih povzetkov znanstvenih prispevkov na konferencah (vabljena predavanja) objavljenih povzetkov znanstvenih prispevkov na konferencah patentna prijava predavanj na tujih univerzah prispevki na konferencah brez natisa vabljeno predavanje na konferenci brez natisa diplom magisteriji comparative studies on the level of structure, function and clinical safety very demanding. In collaboration with researchers from Lek, Mengeš, we have developed new methods based on nuclear magnetic resonance (NMR) and mathematically-based biosimilarity metrics analysis of spectra. For the purpose of comparative studies, we have chosen 2D NMR experiments in which the intensities or chemical shifts of cross-peaks are related to protein structure. Signals in NMR spectra thus represent a protein s unique fingerprint at the atomic level of resolution. The NMR results were further analysed using mathematical methods based on matrices to quickly and accurately compare individual fingerprints of samples and determine the index of similarity between samples at the structural level. The proposed method was successfully applied to the small protein filgrastim (neutropenia treatment) and the relatively large monoclonal antibody rituximab (lymphoma treatment). The development of the proposed method was published in the Scientific Reports journal (206, 6: 3220). Bibliography Original Scientific Articles Professional Article Prefaces, Afterwords Published Professional Conference Contribution (Invited Lecture) Published Scientific Conference Contribution Abstracts (Invited Lectures) Published Scientific Conference Contribution Abstracts Patent Application Invited Lectures at Foreign Universities Unpublished Conference Contributions Unpublished Invited Conference Lecture Undergraduate Theses Master s Theses 52 Letno poročilo 206 _ Annual Report 53

78 Center za validacijske tehnologije in analitiko Center for Validation Technologies and Analytics Vodja / Head dr. Samo Andrenšek D6 Kvaliteta nikoli ni naključna. Kvaliteta je vselej rezultat inteligentnega prizadevanja. (John Ruskin) Ključne dejavnosti Optimizacija in razvoj analitskih metod. Validacija, kvalifikacija in prenos analitskih metod. Kvalitativne in kvantitativne GMP-analize izdelkov validiranimi analitskimi postopki v GMP-okolju in izdajanje certifikatov ustreznosti. Testi raztapljanja. Študije pospešene stabilnosti. Analizne tehnike: UV-VIS, TLC, HPLC, UH- PLC, IC, GC-FID/MS, ICP/MS, ICP/OES, He-Piknometrija, mokra kemija (izguba pri sušenju, suha snov, gostota, sulfatni pepel, vsebnost SiO 2 ), NMR. Glavni dosežki v letu 206 Center za validacijske tehnologije in analitiko (CVTA, D-6) je v okviru KI v letu 206 začel z uvajanjem odseka D5 Nacionalni NMR center v GMP, z namenom ponuditi storitve GMP NMR za farmacevtski trg. V ta namen se v GMP uvajata dva instrumenta, in sicer 300 MHz in 600 Quality is never an accident. It is always the result of intelligent effort. (John Ruskin) Topic Areas The optimisation and development of analytical procedures The validation, qualification and transfer of analytical procedures Qualitative and quantitative GMP analyses with validated analytical procedures and issuing certificates of conformity Dissolution testing Fast degradation studies Analytical techniques: UV-VIS, TLC, HPLC, UHPLC, IC, GC-FID/MS, ICP/MS, ICP/OES, He-Picnometry, wet chemistry (loss on drying, dry matter, density, sulphated ash, assay SiO 2 ), NMR. Important achievements in 206 Within the National Institute of Chemistry, the Centre for Validation Technologies and Analytics (CVTA, D-6), began the introduction of the National NMR Centre (department D5) into GMP in 206. The GMP standard in NMR centre is important in order to enable offering MHz NMR-instriment. V letu 206 smo ravno tako začeli z uvajanjem dobre razvojne prakse (GDevP) na nivoju KI zaradi zahtev farmacevtske industrije po večji reguliranosti razvojnih in raziskovalnih aktivnostih za farmacevtsko industrijo. Celoten proces uvajanja novih odsekov v GMP in GDevP bo trajala do leta Uvajanje centra NMR v GMP pa bo zaključeno z JAZMP-inšpekcijo v letu 207. V letu 206 je CVTA uspešno zaključil zunanje inšpekcije GMP s strani glavnih strank, ter podaljšati certifikat kakovosti ISO 900. CVTA je v letu 206 izvajal validacije analitskih postopkov za zunanje partnerje (KRKA, LEK član skupine Sandoz, Novartis) in analize za sproščanje v farmacevtskih izdelkih za trg. Analizne tehnike, ki jih v sklopu CVTA KI ponuja na trgu so: odsek D04 ICP-MS in ICP-OES, rutinske GMP-analize SiO 2 v različnih materialih in odsek D05 ionska kromatografija (IC), določanje skeletne gostote s He-Piknometrijo. GMP NMR services to pharmaceutical customers. For this, two NMR instruments are available MHz and 600 MHz. In 206 we also started the introduction of good development practices (GDevP) in R6D activities of NIC due to the requirements of the pharmaceutical industry for better regulation of research and development activities. The whole process of the introduction of new departments in GDevP will last until 2020, while the introduction of the NMR centre into GMP will be completed by the JAZMP (EU GMP) inspection in 207. In 206, we successfully completed the CV- TA s external GMP inspections by the major customers and extended the quality certificate ISO 900. In 206, the CVTA performed validations of analytical procedures for external partners (Krka, Lek - Sandoz Company, Novartis) and released analysis in the market of pharmaceuticals. Analytical techniques that the CVTA offered on the market from other departments of the NIC are as follows: department D04 ICP- MS and ICP-OES, routine GMP analysis of SiO2 in different materials and department D05 ion chromatography (IC), the determination of skeletal density with an He-pycnometer. 54 Letno poročilo 206 _ Annual Report 55

79 2 3 Raziskovalci / Researchers dr. Alenka Golc Wondra dr. Maja Gričar Andrej Jerič Barbara Lečnik Spaić Darija Lorber Katja Rožmanc Babnik Simona Lojevec Hartl Strokovni sodelavci in tehnično osebje / Technical Staff Ana Andrić Jan Štos Katarina Jankovič Mateja Matjaž Bibliografija Bibliography. Vzorci za analizo. 2. GMP kvaliteta ni naključje. 3. Testi raztapljanja. Samples for analysis 2. GMP Quality is not an accident. 3. Dissolution testing. izvirni znanstveni članek magisterij Original Scientific Article Master s Thesis 56 Letno poročilo 206 _ Annual Report 57

80 Odsek za molekularno modeliranje Department for Molecular Modeling Vodja / Head prof. dr. Tomaž Šolmajer D7 Z razvojem in uporabo novih pristopov molekularnega modeliranja študiramo povezave med strukturo, dinamiko in funkcijo kompleksnih molekularnih sistemov Ključne dejavnosti Večskalna simulacija mehke in biološke snovi. Študij strukture, funkcije proteinov in proteinskih interakcij. Razvoj opisa mikroskopskih sistemov izven ravnovesja z metodami statistične fizike. Raziskave novih zaviralcev encimov na protibakterijskem in protirakavem terapevtskem področju. Glavni dosežki v letu 206 Razvili smo metodologijo, ki dovoljuje izvedbo odprtih molekularnih simulacij, kjer sistem izmenjuje maso, gibalno količino in energijo z okolico. To nam omogoča izvajanje ravnovesnih simulacij molekulske dinamike v velekanoničnem ansamblu in neravnovesnih simulacij tekočinskih tokov. Pri tem je tekočinski tok vpeljan preko zunanjih robnih We develop and employ new molecular modelling approaches to study the structure, dynamics and function of complex molecular systems Topic Areas Multiscale modelling and simulation of soft and biological matter study of the structure and function of proteins and protein interactions the development of a statistical physics description of non-equilibrium microscopic systems research of novel inhibitors of enzymes in antibacterial and anticancer therapeutics. Important achievements in 206 We have derived a methodology that allows open boundary molecular dynamics (OBMD) simulations of molecular liquids where the system exchanges mass, momentum and energy with its surroundings. This enables us to perform equilibrium MD simulations in the grand-canonical ensemble as well as nonequilibrium fluid flow simulations. The flow is pogojev, medtem ko enačbe gibanja tekočine v sredstvu ostanejo nespremenjene. Izvedli smo odprto simulacijo taline zvezdastih polimerov pod stalno normalno obremenitvijo. Pokazali smo, da ima polimerna talina pod strigom s konstantnim normalnim tlakom (odprt sistem) drugačne reološke lastnosti kot pod strigom pri konstantni prostornini (zaprt sistem). Razvili smo algoritem SWINGER, ki istočasno sestavlja, razstavlja in ponovno sestavlja večmolekularne skupke vode. To v kombinaciji z AdResS omogoča natančno sklopitev atomističnih ter večmolekularnih modelov vode v simulacijah s prilagodljivo ločljivostjo. SWINGER tako omogoča izvedbo učinkovitih večskalnih simulacij biomolekularnih sistemov brez znižanja natančnosti atomističnih modelov vode. Imunoproteasom predstavlja zelo zanimivo tarčo za razvoj novih zdravil za zdravljenje avtoimunskih, vnetnih in rakavih obolenj. Sodelavci Odseka za molekularno modeliranje smo v sodelovanju z raziskovalci s Fakultete za farmacijo, Univerza v Ljubljani in FAMNIT, Univerza na Primorskem uspeli razviti nove zaviralce imunoproteasoma z nepeptidno osnovno strukturo. Na superračunalniku VRANA in z uporabo programa CHARMM smo izračunali najugodnejšo reakcijsko pot kovalentne vezave inhibitorjev na imunoproteasom ter pravilno predvideli premreženje vezavnega mesta imuintroduced as an external boundary condition while the equations of motion remain unaltered. We have carried out OBMD simulations of sheared star-polymer melts under a fixed normal load. We demonstrate that shearing polymer melts under constant normal pressure (open system) produces a different rheology than shearing at a constant volume (closed system). We have developed SWINGER, a dynamic clustering algorithm that can concurrently assemble, disassemble and reassemble water bundles, consisting of several water molecules. Thus, it allows for the seamless coupling between standard atomistic and supramolecular water models in adaptive resolution simulations. SWINGER paves the way for efficient multiscale simulations of biomolecular systems without compromising the accuracy of atomistic water models. Immunoproteasome represents an interesting target for the development of new drugs for the treatment of autoimmune, inflammatory and cancer diseases. Members of the Department for Molecular Modelling in collaboration with researchers from the Faculty of Pharmacy, University of Ljubljana, and the FAMNIT, University of Primorska, developed new inhibitors of immunoproteasome with nonpeptidic structures. Using the CROW supercomputer and the CHARMM program, they calculated the 58 Letno poročilo 206 _ Annual Report 59

81 2 3. Slika odprtega sistema taline zvezdastih polimerov v termodinamičnem ravnovesju. Sklopitev med atomistično (AT) in grobozrnato (CG) ločljivostjo poteka v hibridni domeni (HY). 2. SWINGER: algoritem, ki istočasno sestavlja, razstavlja in ponovno sestavlja večmolekularne skupke vode. 3. Mehanizem delovanja kovalentnih inhibitorjev imunoproteasoma smo pojasnili z uporabo metod molekularnega modeliranja.. A snapshot of an open system of the melt of star polymers in equilibrium. The coupling between the atomistic (AT) and the coarse-grained (CG) resolutions occurs in the hybrid domain (HY). 2. SWINGER: A Dynamic Clustering Algorithm. 3. The mechanism of action of covalent inhibitors of immunoproteasome was explained using molecular modelling. Raziskovalci / Researchers dr. Aljaž Godec doc. dr. Janez Konc prof. dr. Matej Praprotnik dr. Milan Hodošček dr. Staš Bevc dr. Julija Zavadlav doc. dr. Urban Bren dr. Matjaž Brvar Doktorski študenti / Ph.D. students Matija Kuclar Aleksandar Popadić Jurij Sablić Samo Lešnik 60 Letno poročilo 206 _ Annual Report 6

82 noproteasoma. Celični testi so pokazali, da novoodkrite spojine tudi na celičnem nivoju selektivno zavirajo imunoproteasom, medtem ko je delovanje na konstitutivni proteasom zanemarljivo. Predstavljeno delo bogati področje zaviralcev imunoproteasoma, ki je trenutno aktualna tarča za razvoj novih zdravil za zdravljenje avtoimunskih, vnetnih in rakavih obolenj.»kdaj difundirajoči delec prvič doseže svojo tarčo?«je vprašanje, ki je ključnega pomena za kinetiko molekularnih reakcij v kemiji ter biologiji. V delu pojasnimo zakonitosti gladkih porazdelitev časov prvega prehoda, pri katerih so vsi trenutki porazdelitve končni. Pokazali smo, da dolgočasovno obnašanje porazdelitev za širok nabor transportnih procesov v splošnem ne sledi Poissonovi statistiki. Medtem ko Poissonova limita sicer res nastopi v primeru zadostnega efektivnega odboja, ki ga delec občuti v neposredni bližini tarče, pa obstoj separacije časovnih skal med direktnimi ter indirektnimi reaktivnimi trajektorijami vodi do univerzalnega efekta bližine: direktne trajektorije, ki bolj ali manj neposredno interpolirajo med začetno točko ter tarčo, postanejo tipične in fokusirane z majhnim sipanjem časov prvega prihoda. Dolžina statistično dominantnih indirektnih trajektorij, ki obiščejo celotni razpoložljivi volumen, pa se masivno razlikuje. Začetna razdalja do tarče je posebej pomembna za procese genske regulacije ter podobne kompetitivne stohastične procese. most favourable reaction paths of the covalent binding of inhibitors to immunoproteasome and correctly predicted the crosslinking of the immunoproteasome s binding site. Cell-based assays showed that the newly discovered compounds selectively inhibit immunoproteasome, whereas they do not inhibit the constitutive proteasome. This work enriches the currently known immunoproteasome inhibitors, an actual target for the development of new drugs for the treatment of autoimmune, inflammatory and cancer diseases. When does a diffusing particle reach its target for the first time? This first passage time (FPT) problem is central to the kinetics of molecular reactions in chemistry and molecular biology. We have explained the behaviour of smooth FPT densities, for which all moments are finite, and demonstrated universal yet generally non-poissonian long-time asymptotics for a wide variety of transport processes. While Poisson-like asymptotics arise generically in the presence of an effective repulsion in the immediate vicinity of the target, a timescale separation between direct and reflected indirect trajectories gives rise to a universal proximity effect: Direct paths, heading more or less straight from the point of release to the target, become typical and focused, with a narrow spread of corresponding first-passage times. Conversely, statistically dominant indirect paths exploring the entire system tend to be massively dissimilar. The initial distance to the target particularly impacts gene regulatory or competitive stochastic processes, for which a few binding events often determine the regulatory outcome. The proximity effect is independent of the details of the transport, highlighting the robust character of the uncovered FPT features. Bibliografija 6 izvirnih znanstvenih člankov polemika, diskusijski prispevek 3 druga učna gradiva objavljeni znanstveni prispevek na konferenci 3 objavljeni povzetki znanstvenih prispevkov na konferencah (vabljena predavanja) 2 objavljenih povzetkov znanstvenih prispevkov na konferencah 2 predavanji na tujih univerzah 2 vabljeni predavanji na konferencah brez natisa 2 diplomi magisterij doktorat uredništvo revije Bibliography Original Scientific Articles Polemic, Discussion Other Educational Materials Published Scientific Conference Contribution Published Scientific Conference Contributions Abstract (Invited Lectures) Published Scientific Conference Contribution Abstracts Invited Lectures at Foreign Universities Unpublished Invited Conference Lectures Undergraduate Theses Master s Thesis Doctoral Dissertation Journal Editorships 62 Letno poročilo 206 _ Annual Report 63

83 bibliografija bibliography 66

84 Bibliografija / Bibliography D0 Odsek za računsko biokemijo in načrtovanje učinkovin / Department of Computational Biochemistry and Drug Design V celoti objavljeni članki (znanstveni) / Full Text Articles RIČKO, Sebastijan, SVETE, Jurij, ŠTEFANE, Bogdan, PERDIH, Andrej, GOLOBIČ, Amalija, MEDEN, Anže, GROŠELJ, Uroš.,3-diaminederived bifunctional organocatalyst prepared from camphor. Advanced Synthesis & Catalysis, 206, vol. 358, iss. 23, str [CO- BISS.SI-ID ] 2 MAVRI, Janez, MATUTE, Ricardo A., CHU, Zhen T., VIANELLO, Robert. Path integral simulation of the H/D kinetic isotope effect in monoamine oxidase B catalyzed decomposition of dopamine. The Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 206, vol. 20, iss. 4, str [COBISS.SI-ID ] 3 POBERŽNIK, Matic, PURG, Miha, REPIČ, Matej, MAVRI, Janez, VIANELLO, Robert. Empirical valence bond simulations of the hydride-transfer step in the monoamine oxidase A catalyzed metabolism of noradrenaline. The Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 206, vol. 20, iss. 44, str [COBISS.SI-ID ] 4 OANCA, Gabriel, PURG, Miha, MAVRI, Janez, SHIH, Jean C., STARE, Jernej. Insights into enzyme point mutation effect by molecular simulation: phenylethylamine oxidation catalyzed by monoamine oxidase A. PCCP. Physical Chemistry Chemical Physics, 206, vol. 8, iss. 9, str [COBISS.SI-ID ] 5 KRŽAN, Mojca, VIANELLO, Robert, MARŠAVELSKI, Aleksandra, REPIČ, Matej, ZAKŠEK, Maja, KOTNIK, Kristina, FIJAN, Estera, MAVRI, Janez. The quantum nature of drug-receptor interactions: deuteration changes binding affinities for histamine receptor ligands. PloS one, 206, vol., iss. 5, e e [COBISS.SI-ID ] 6 ENIYAN, Kandasamy, KUMAR, Anuradha, RAYASAM, Geetha Vani, PERDIH, Andrej, BA- JPAI, Urmi. Development of a one-pot assay for screening and identification of Mur pathway inhibitors in Mycobacterium tuberculosis. Scientific Reports, 206, vol. 6, str [COBISS.SI-ID ] 7 VIANELLO, Robert, DOMENE, Carmen, MAVRI, Janez. The use of multiscale molecular simulations in understanding a relationship between the structure and function of biological systems of the brain: the application to monoamine oxidase enzymes. Frontiers in Neuroscience, 206, vol. 0, art. 327, str [COBISS.SI-ID ] 8 PAVLIN, Matic, REPIČ, Matej, VIANELLO, Robert, MAVRI, Janez. The chemistry of neurodegeneration: kinetic data and their implications. Molecular Neurobiology, 206, vol. 53, iss. 5, str [COBISS.SI-ID ] 9 OANCA, Gabriel, NADEJDE, Claudia, FIFE- RE, Nicusor, TODIRASCU, Antonina Gritco, CREANGA, Dorina, DOROHOI, Dana, STARE, Jernej. Solvatochromic study on chlortetracycline in binary and ternary solutions. Journal of Molecular Structure, 206, vol. 26, str [COBISS.SI-ID 60490] Uredništva / Editorships 0 Acta Chimica Slovenica. Mavri, Janez (član uredniškega odbora 2005-). Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), ISSN [COBISS. SI-ID ] ZUPAN, Jure (urednik), ANDER- LUH, Gregor (urednik), ANDRENŠEK, Samo (uredniški odbor), DROLC, Andreja (uredniški odbor), GOLIČ GRDADOLNIK Simona (uredniški odbor), GRAH, Lilijana (uredniški odbor), KAUČIČ, Slavko, (uredniški odbor), OG- OREVC, Božidar (uredniški odbor), PIRC, Brigita (uredniški odbor), STARE, Jernej (uredniški odbor). Širimo meje znanosti. Ljubljana, Kemijski inštitut, 206, ISBN [COBISS.SI-ID ] Intervjuji in mediji / Interviews and Media 2 MAVRI, Janez (intervjuvanec), STARE, Jernej (intervjuvanec). Kemijski inštitut: mutacija encima in agresivno vedenje. Delo, 8. feb. 206, leto 58, št. 40, str. 5. [COBISS.SI-ID ] Mentorstva / Mentorships 3 KLOPČIČ, Ivana, SOLLNER DOLENC, Marija (mentorica), MAVRI, janez (somentor). Raziskave endokrinih učinkov fenolnih analogov bisfenola A in njihovih mešanic in silico in in vitro (Studies of endocrine effects of phenoloc analogs of bisphenol A and their mixtures in silico and in vitro), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 4 JANEŽIČ, Matej, GOBEC, Stanislav (mentor), PERDIH, Andrej (somentor). In silico načrtovanje in ovrednotenje H-indazolnih zaviralcev človeške topoizomeraze IIα (In silico design and evaluation of H-indazole inhibitors of the human toposiomerase II α), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 5 GRABNAR, Uršula, PERDIH, Andrej (mentor), SOLLNER DOLENC, Marija (somentorica). Ocena endokrinega delovanja barvil dovoljenih za uporabo v kozmetičnih izdelkih z in silico metodo (Prediction of endocrine activity of colours permitted to use in comsetic products with in silico method), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 6 BERGANT, Anže, CIGLARIČ, Mojca (mentor), MAVRI, Janez (somentor). Simulacija molekulske dinamike na visokozmogljivih infrastrukturah, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 66 Letno poročilo 206 _ Annual Report 67

85 D03 Odsek za kemijsko informatiko / Department of Chemoinformatics V celoti objavljeni članki (znanstveni) / Full Text Articles ZAVRTANIK, Nataša, PROSEN, Janez, TUŠAR, Marjan, TURK, Goran. The use of artificial neural networks for modeling air void content in aggregate mixture. Automation in Construction, 206, letn. 63, str [CO- BISS.SI-ID ] 2 AVSENIK, Lidija, KLINAR, Dušan, TUŠAR, Marjan, SLEMENIK PERŠE, Lidija. Use of modified slow tire pyrolysis product as a rejuvenator for aged bitumen. Construction & Building Materials, 206, vol. 20, str [CO- BISS.SI-ID ] 3 BASAK, Subhash C., VRAČKO, Marjan, WITZMANN, Frank A. Mathematical nanotoxicoproteomics: quantitative characterization of effects of multi-walled carbon nanotubes (MWCNT) and TiO 2 nanobelts (TiO 2 -NB) on protein expression patterns in human intestinal cells. Current Computer-aided Drug Design, 206, vol. 2, no. 4, str [COBISS.SI-ID ] 4 AVSENIK, Lidija, TUŠAR, Marjan. Analysis of possible use of pyrolytic products as binders in asphalt mixes. Građevinar, 206, vol. 68, iss. 3, str [COBISS.SI-ID ] 5 MAJKOVIČ, Darja, O KIELY, Padraig, KRAM- BERGER, Branko, VRAČKO, Marjan, TURK, Jernej, PAŽEK, Karmen, ROZMAN, Črtomir. Comparison of using regression modeling and an artificial neural network for herbage dry matter yield forecasting. Journal of Chemometrics, 206, vol. 30, iss. 4, str [CO- BISS.SI-ID ] 6 FJODOROVA, Natalja Stanislavovna, NOVIČ, Marjana, DIANKOVA, Tamara, OSTANEN, Anna. The nano-sized TiO 2 dispersions for mass coloration of polyimide fibers: the nano-sized TiO 2 for mass coloration. Journal of Nanotoxicology and Nanomedicine, 206, vol., iss., str [COBISS.SI-ID 59408] 7 DRGAN, Viktor, ŽUPERL, Špela, VRAČKO, Marjan, COMO, Francesca, NOVIČ, Marjana. Robust modelling of acute toxicity towards fathead minnow (Pimephales promelas) using counter-propagation artificial neural networks and genetic algorithm. SAR and QSAR in Environmental Research, 206, vol. 27, iss. 7, str [COBISS.SI-ID ] 8 TIBAUT, Tjaša, BORIŠEK, Jure, NOVIČ, Marjana, TURK, Dušan. Comparison of in silico tools for binding site prediction applied for structure-based design of autolysin inhibitors. SAR and QSAR in Environmental Research, 206, vol. 27, iss. 7, str [COBISS.SI-ID ] 9 PLOŠNIK, Alja, VRAČKO, Marjan, SOLLNER DOLENC, Marija. Mutagenic and carcinogenic structural alerts and their mechanisms of action. Arhiv za higijenu rada i toksikologiju, 206, vol. 67, issue 3, str [COBISS.SI- ID ] V celoti objavljeni članki (strokovni) / Full Text Articles 0 TUŠAR, Marjan, ŠLIBAR, Miha, RAVNI- KAR TURK, Mojca. Zgoščanje asfaltov. Mineral, 206, letn. 9, št. 46, str [COBISS.SI-ID 60674] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions ROZMAN, Črtomir, KRAMBERGER, Branko, VRAČKO, Marjan, TURK, Jernej, PAŽEK, Karmen, MAJKOVIČ, Darja. Comparison of using regression modelling and an artificial neural network for herbage dry matter yield forecasting. V: KLJAJIĆ, Miroljub (ur.), LASKER, George Eric (ur.). Advances in simulation-based decision support & business intelligence, volume VI, 28 th International Conference on Systems Research, Informatics and Cybernetics, Baden-Baden, Germany, August -5, 206. Tecumseh, Canada, International Institute for Advanced Studies in Systems Research and Cybernetics, 206, str [CO- BISS.SI-ID ] 2 TUŠAR, Marjan. Asphalt for heavily loaded pavements. V: 6 th Eurasphalt & Eurobitume Congress, Prague, -3 June 206. Prague, 206. [COBISS.SI-ID ] 3 RAVNIKAR TURK, Mojca, TUŠAR, Marjan. Effect of ageing on the low temperature properties of bitumen. V: 6 th Eurasphalt & Eurobitume Congress, Prague, -3 June 206. Prague, 206. [COBISS.SI-ID ] 4 HRIBAR, Dejan, TUŠAR, Marjan. Multivariate statistical analysis of low temperature properties obtained from laboratory tests on asphalt mixtures. V: 6 th Eurasphalt & Eurobitume Congress, Prague, -3 June 206. Prague, 206. [COBISS.SI-ID ] 5 AVSENIK, Lidija, TUŠAR, Marjan. Pyrolytic product used as an alternative binder rejuvenator. V: 6 th Eurasphalt & Eurobitume Congress, Prague, -3 June 206. Prague, 206. [COBISS.SI-ID ] 6 HRIBAR, Dejan, TUŠAR, Marjan. Multivariatna statistična analiza rezultatov preskusov pri nizkih temperaturah na asfaltnih zmeseh SMA. V: TOLLAZZI, Tomaž (ur.), LIPAR, Peter (ur.), ŠEMROV, Darja (ur.). Referati (Proceedings), 3. slovenski kongres o cestah in prometu (3 th Slovenian Congress on Roads and Transportation), Portorož, oktobra 206. Ljubljana, DRC, Družba za raziskave v cestni in prometni stroki Slovenije, 206. [CO- BISS.SI-ID ] 7 AVSENIK, Lidija, KLINAR, Dušan, TUŠAR, Marjan. Alternativni pomlajevalec kot dodatek za povečanje deleža recikliranega asfalta v asfaltni mešanici. V: TOLLAZZI, Tomaž (ur.), LIPAR, Peter (ur.), ŠEMROV, Darja (ur.). Referati (Proceedings), 3. slovenski kongres o cestah in prometu (3 th Slovenian Congress on Roads and Transportation), Portorož, oktobra 206. Ljubljana, DRC, Družba za raziskave v cestni in prometni stroki Slovenije, 206. [COBISS.SI-ID ] 8 TUŠAR, Marjan, ŠLIBAR, Miha, IPAVEC, Aleksander, RAVNIKAR TURK, Mojca. Study of compactability models describing asphalt specimen compaction with gyratory and with impact compactor. V: LAKUŠIĆ, Stjepan (ur.). Road and rail infrastructure IV, proceedings of the 4 th International Conference on Road and Rail Infrastructures - CETRA 206, May 206, Šibenik, Croatia, (Road and rail infrastructure). Zagreb, Department of Transportation, Faculty of Civil Engineering, University of Zagreb, 206, str [COBISS.SI-ID ] 9 DJANKOVA, Tamara Jurjevna, FJODOR- OVA, Natalja Stanislavovna, OSTANEN, Anna. Polučenie otečestvennyh okrašennyh termoognestojkih vysokopročnyh voloknistyh materialov na osnove poligeteroarilenov. V: Rossijskij rynok tehničeskogo tekstilja i netkanyh materialov, Nauka i proizvodstvo v sovremennyh ékonomičeskih uslovijah, Sbornik dokladov učastnikov Pervogo Meždunarodnogo nacčnopraktičeskogo simpoziuma (g. Moskva, 25 fevralja 206 g., CVK Ekspocentr ). Moskva, BOS, 206, str [COBISS.SI-ID ] 20 ŽGAJNAR, Rok, TUŠAR, Marjan, BELON- JEK, Tatjana. Toplotno izolativni materiali in gradbeni sistemi (Thermal insulating materials and building systems). V: TUŠEK, Janez (ur.). Zbornik recenziranih znanstvenih prispevkov, (Ventil, Posebna številka, 206, okt.). Ljubljana, Fakulteta za strojništvo, 206, str [COBISS.SI-ID ] 68 Letno poročilo 206 _ Annual Report 69

86 2 VRAČKO, Marjan, DRGAN, Viktor, ŽUPERL, Špela, NOVIČ, Marjana. Novi internetno dostopni QSAR model za napoved vodne (za ribe) toksičnosti: ocene za niz biocidov (New internet accessible QSAR model for prediction of aquatic (fish) toxicity: applied on a set of biocides). V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS. SI-ID 60094] 22 VENKO, Katja, ŽUPERL, Špela, NOVIČ, Marjana. In silico pristop za določanje transportne aktivnosti prehransko/farmacevtsko zanimivih spojin preko membranskega proteina bilitranslokaze (In silico approach for revealing transport activity of dietary/pharmaceutical interesting compounds via membrane protein bilitranslocase). V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS. SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 23 TUŠAR, Marjan, AVSENIK, Lidija. Case study: increasing the percentage of recycled asphalt. V: TORRENTI, Jean-Michel (ur.). Materials and infrastructures. 2, (Research for innovative transports set, vol. 5B). London, ISTE, Hoboken, J. Wiley & Sons, 206, str [COBISS.SI-ID 59454] 24 NOVIČ, Marjana, TIBAUT, Tjaša, AN- DERLUH, Marko, BORIŠEK, Jure, TOMAŠIČ, Tihomir. The comparison of docking search algorithms and scoring functions: an overview and case studies. V: DASTMALCHI, Siavoush (ur.), HAMZEH-MIVEHROUD, Maryam (ur.), SOKOUTI, Babak (ur.). Methods and algorithms for molecular docking-based drug design and discovery. Hershey, PA, IGI Global, 206, str [COBISS.SI-ID ] 25 RANDIĆ, Milan, NOVIČ, Marjana, PLAVŠIĆ, Dejan. Solved and unsolved problems of structural chemistry. Boca Raton; London; New York, CRC Press, 206. [COBISS. SI-ID ] 26 HENIGMAN, Slovenko, BAŠELJ, Roman, BIRK, Igor, BRITOVŠEK, Zvone, CEZAR, Jožica, COTIČ, Zvonko, ČIBEJ, Karmen, ČOTAR, Mitja, DONKO, Dejan, FORTUNA, Irena, HRIBAR, Dejan, IPAVEC, Aleksander, JAMNIK, Julijana, JURGELE, Mitja, KERSTEIN, Aleksander, KO- KOT, Darko, KUGLER, Roman, LAMUT, Tadej, LAVRENČIČ, Andrej, LJUBIČ, Aleksander, LUKAČ, Bojana, MARKELJ, Anton, MAROLT, Marjan, NAGLIČ, Olga, NATLAČEN PENKO, Stojan, PAVŠIČ, Primož, PREŠEREN, Marijan, PROSEN, Janez, RAMŠAK, Mihael, RAVNIKAR TURK, Mojca, ŠUŠTAR, Janez, TATALOVIĆ, Gojko, TUŠAR, Marjan, WILLENPART, Borut, ZUPAN, Janez, ŽMAVC, Janez, LJUBIČ, Aleksander (urednik). Asfalt. 3. izd. Ljubljana, Združenje asfalterjev Slovenije, 206. [COBISS. SI-ID ] 27 MINOVSKI, Nikola, BORIŠEK, Jure. Structure-based drug design & macromolecular modeling in discovery studio, 4. package. Ljubljana, Kemijski inštitut, 206. [COBISS.SI- ID ] Doktorati, magisteriji, diplome / Ph.D., M.Sc. and B.Sc. Theses 28 AVSENIK, Lidija. Alternativni pomlajevalec kot dodatek za povečanje deleža recikliranega asfalta v asfaltni mešanici (Alternative rejuvenator as an additive to increase the share of reclaimed asphalt in asphalt mixture), doktorska disertacija. Ljubljana, 206. [CO- BISS.SI-ID ] 29 PLOŠNIK, Alja. Endokrine in genotoksične lastnosti sestavin kozmetičnih izdelkov iz podatkovne baze Coslng z in silico metodami in luciferaznimi reporterskimi testi (Endocrine and genotoxic properties of ingredients in cosmetic products from a Coslng database with in silico methods and luciferase reporter assays), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] Intervjuji in mediji / Interviews and Media 30 ANDERLUH, Gregor (intervjuvanec), ZUPAN, Jure (intervjuvanec). 70 letnica Kemijskega inštituta, oddaja Pogled v znanost, Radio Slovenija 3, [COBISS.SI-ID ] Uredništva / Editorships 3 Acta Chimica Slovenica. Zupan, Jure (član uredniškega odbora 995-), Novič, Marjana (gostujoči urednik 2009-). Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), ISSN [COBISS.SI- ID ] 32 Analytical Letters. Zupan, Jure (član uredniškega odbora 2002-). New York (NY), M. Dekker, ISSN [COBISS.SI-ID ] 33 Ars Mathematica Contemporanea. Randić, Milan (član uredniškega sveta 2008-). Ljubljana, Društvo matematikov, fizikov in astronomov, ISSN [COBISS.SI- ID ] 34 Computational and Structural Biotechnology Journal. Fjodorova, Natalja Stanislavovna (član uredniškega odbora 202-). Göteborg, Chalmers University of Technology, 20-. ISSN [COBISS.SI-ID ] 35 Computational Chemistry. Fjodorova, Natalja Stanislavovna (član uredniškega odbora 203-). Irvine (CA), Scientific Research, ISSN [COBISS.SI-ID ] 36 Current Computer-aided Drug Design. Novič, Marjana (član uredniškega odbora 200-), Vračko, Marjan (član uredniškega odbora 202-, gostujoči urednik 206). Hilversum, Bentham Science Publishers, ISSN [COBISS.SI-ID 38082] 37 International Journal of Advanced Research in Chemical Sciences. Fjodorova, Natalja Stanislavovna (član uredniškega odbora 206-). Hyderabad, Academicians Research Center, ISSN X. [COBISS.SI-ID ] 38 Journal of Chemistry (Hindawi) (Online). Novič, Marjana (član uredniškega odbora 202-). Cairo, Hindawi Publishing Corporation, ISSN [COBISS.SI-ID ] 39 Journal of Chemistry (Hindawi) (Print). Novič, Marjana (član uredniškega odbora 202-). Cairo, Hindawi Publishing Corporation, ISSN [COBISS.SI-ID ] 40 Journal of Nanotoxicology and Nanomedicine. Fjodorova, Natalja Stanislavovna (član uredniškega odbora 205-). Harshey, IGI Global, [COBISS.SI-ID ] 4 ZUPAN, Jure (urednik), ANDER- LUH, Gregor (urednik), ANDRENŠEK, Samo (uredniški odbor), DROLC, Andreja (uredniški odbor), GOLIČ GRDADOLNIK Simona (uredniški odbor), GRAH, Lilijana (uredniški odbor), KAUČIČ, Slavko, (uredniški odbor), OG- OREVC, Božidar (uredniški odbor), PIRC, Brigita (uredniški odbor), STARE, Jernej (uredniški odbor). Širimo meje znanosti. Ljubljana, Kemijski inštitut, 206, ISBN [COBISS.SI-ID ] 70 Letno poročilo 206 _ Annual Report 7

87 Mentorstva / Mentorship 42 PLOŠNIK, Alja, VRAČKO GROBELŠEK, Marjan (mentor), SOLLNER DOLENC, Marija (somentorica). Endokrine in genotoksične lastnosti sestavin kozmetičnih izdelkov iz podatkovne baze Coslng z in silico metodami in luciferaznimi reporterskimi testi (Endocrine and genotoxic properties of ingredients in cosmetic products from a Coslng database with in silico methods and luciferase reporter assays), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 43 AVSENIK, Lidija, TUŠAR, Marjan (mentor), BOKAN BOSILJKOV, Violeta (somentorica). Alternativni pomlajevalec kot dodatek za povečanje deleža recikliranega asfalta v asfaltni mešanici (Alternative rejuvenator as an additive to increase the share of reclaimed asphalt in asphalt mixture), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 44 BRENCE, Miran, TUŠAR, Marjan (mentor), ŽURA, Marjan (somentor). Uporaba livarskega peska v sestavi asfaltnih zmesi (The use of foundry sand in the composition of the asphalt mixture), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID 76745] 45 RAVNIKAR TURK, Mojca, TUŠAR, Marjan (mentor), LOGAR, Janko (somentor). Vpliv laboratorijsko simuliranega staranja bitumnov na njihove lastnosti pri nizkih temperaturah (The impact of laboratory simulated aging on bitumen properties at low temperatures), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 46 ČEBELA, Jernej, DROBNE, Damjana (mentorica), VRAČKO GROBELŠEK, Marjan (somentor). Urejanje podatkov o vplivih nanomaterialov na encime za statistično obdelavo in računalniško modeliranje (Manipulation of data sets of nanomaterials effect on enzymes for statistical evaluation and computational modeling), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 47 ROŽMAN, Borut, KLINAR, Dušan (mentor), TUŠAR, Marjan (somentor). Izdelava veziva za asfalt - bitumna iz obnovljivih virov s pomočjo pirolize na laboratorijski napravi, diplomsko delo. Maribor, 206. [COBISS.SI-ID ] 48 BOHINC, Dušanka, BREN, Urban (mentor), TUŠAR, Marjan (somentor). Ovrednotenje energije raztegovanja PmB bitumna na različnih dolžinah raztega, diplomsko delo. Maribor, 206. [COBISS.SI-ID ] D04 Odsek za analizno kemijo / Department of Analytical Chemistry V celoti objavljeni članki (znanstveni) / Full Text Articles GATALO, Matija, JOVANOVIČ, Primož, POLYMEROS, George, GROTE, Jan-Phillip, PAVLIŠIČ, Andraž, RUIZ-ZEPEDA, Francisco, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., BELE, Marjan, MAYRHOFER, Karl, HODNIK, Nejc, GABERŠČEK, Miran. Positive effect of surface doping with Au on the stability of Pt-based electrocatalysts. ACS Catalysis, 206, vol. 6, iss. 3, str [COBISS.SI- ID ] 2 PAVLIŠIČ, Andraž, JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, BELE, Marjan, DRAŽIĆ, Goran, ARČON, Iztok, HOČEVAR, Samo B., KOKALJ, Anton, HODNIK, Nejc, GABERŠČEK, Miran. Atomically resolved dealloying of structurally ordered Pt nanoalloy as an oxygen reduction reaction electrocatalyst. ACS Catalysis, 206, vol. 6, iss. 8, str [COBISS.SI-ID ] 3 GRGIĆ, Irena, BRATEC, Jožica, BEŠTER- ROGAČ, Marija. Indoor nanoparticles measurements in workplace environment: the case of printing and photocopy center. Acta Chimica Slovenica, 206, vol. 63, no. 2, str [COBISS.SI-ID ] 4 ZIDAR, Primož, KRŽIŠNIK, Špela, DEBEL- JAK, Marta, ŽIŽEK, Suzana, VOGEL-MIKUŠ, Katarina. The effect of selenium on mercury transport along the food chain. Agrofor, 206, vol., no. 3, str [COBISS.SI-ID ] 5 ELTEREN, Johannes Teun van, IZMER, Andrei, ŠELIH, Vid Simon, VANHAECKE, Frank. Novel image metrics for retrieval of the lateral resolution in line scan-based 2D LA-ICPMS imaging via an experimental-modeling approach. Analytical Chemistry, 206, vol. 88, iss. 4, str [COBISS.SI-ID ] 6 GEMAYEL, Rachel, HELLEBUST, Stig, TEMIME-ROUSSEL, Brice, HAYECK, Nathalie, ELTEREN, Johannes Teun van, WORTHAM, Henri, GLIGOROVSKI, Sašo. The performance and the characterization of laser ablation aerosol particle time-of-flight mass spectrometry (LAAP-ToF-MS). Atmospheric Measurement Techniques, 206, vol. 9, iss. 4, str [COBISS.SI-ID ] 7 GORJANC, Marija, ŠALA, Martin. Durable antibacterial and UV protective properties of cellulose fabric functionalized with Ag/TiO 2 nanocomposite during dyeing with reactive dyes. Cellulose, 206, vol. 23, no. 3, str [COBISS.SI-ID ] 8 ZIDAR, Primož, KOS, Monika, VOGEL- MIKUŠ, Katarina, ELTEREN, Johannes Teun van, DEBELJAK, Marta, ŽIŽEK, Suzana. Impact of ionophore monensin on performance and Cu uptake in earthworm Eisenia andrei exposed to copper-contaminated soil. Chemosphere, 206, vol. 6, str [COBISS. SI-ID ] 9 ROMIH, Tea, HOČEVAR, Samo B., JEMEC, Anita, DROBNE, Damjana. Bismuth film electrode for anodic stripping voltammetric measurement of silver nanoparticle dissolution. Electrochimica Acta, 206, vol. 88, str [COBISS.SI-ID ] 0 JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., RUIZ- ZEPEDA, Francisco, HODNIK, Nejc, BELE, Marjan, GABERŠČEK, Miran. Potentiodynamic dissolution study of PtRu/C electrocatalyst in the presence of methanol. Electrochimica Acta, 206, vol. 2, str [COBISS.SI- ID ] ROMIH, Tea, JEMEC, Anita, KOS, Monika, HOČEVAR, Samo B., KRALJ, Slavko, MAK- OVEC, Darko, DROBNE, Damjana. The role of PVP in the bioavailability of Ag from the PVPstabilized Ag nanoparticle suspension. Environmental Pollution, 206, vol. 28, str [COBISS.SI-ID ] 2 FRKA MILOSAVLJEVIĆ, Sanja, ŠALA, Martin, KROFLIČ, Ana, HUŠ, Matej, ČUSAK, Alen, GRGIĆ, Irena. Quantum chemical calculations resolved identification of methylnitrocatechols in atmospheric aerosols. Environmental Science & Technology, 206, vol. 50, iss., str [COBISS.SI-ID ] 3 GRAU-BOVÉ, J., BUDIČ, Bojan, KRALJ CIGIĆ, Irena, THICKETT, David, SIGNORELLO, Stefania, STRLIČ, Matija. The effect of particulate matter on paper degradation. Heritage Science, 206, vol. 4, str. -8. [COBISS.SI-ID ] 4 ELTEREN, Johannes Teun van, VAN- HAECKE, Frank. Angular resolution dependency in 2D LA-ICP-MS mapping - the case for low-dispersion laser ablation cells. Journal of Analytical Atomic Spectrometry, 206, vol. 3, iss. 0, str [COBISS.SI-ID ] 5 PONGRAC, Paula, POTISEK, Mateja, FRAŠ, Anna, LIKAR, Matevž, BUDIČ, Bojan, MYSZKA, Kinga, BOROS, Danuta, NEČEMER, Marijan, KELEMEN, Mitja, VAVPETIČ, Primož, 72 Letno poročilo 206 _ Annual Report 73

88 PELICON, Primož, VOGEL-MIKUŠ, Katarina, REGVAR, Marjana, KREFT, Ivan. Composition of mineral elements and bioactive compounds in tartary buckwheat and wheat sprouts as affected by natural mineral-rich water. Journal of Cereal Science, 206, vol. 69, str [CO- BISS.SI-ID 38029] 6 PUŠAVEC KIRAR, Eva, GROŠELJ, Uroš, MIRRI, Giorgio, POŽGAN, Franc, STRLE, Gregor, ŠTEFANE, Bogdan, JOVANOVSKI, Vasko, SVETE, Jurij. Click chemistry: application of copper metal in Cu-catalyzed azomethine imine-alkyne cycloadditions. Journal of Organic Chemistry, 206, vol. 8, iss. 4, str [COBISS.SI-ID ] 7 MOŠKON, Jože, PIVKO, Maja, JERMAN, Ivan, TCHERNYCHOVA, Elena, ZABUKOVEC LOGAR, Nataša, ZORKO, Milena, ŠELIH, Vid Simon, DOMINKO, Robert, GABERŠČEK, Miran. Cycling stability and degradation mechanism of LiMnPO 4 based electrodes. Journal of Power Sources, 206, vol. 303, str [COBISS.SI-ID ] 8 JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., PAVLIŠIČ, Andraž, GATALO, Matija, BELE, Marjan, RUIZ- ZEPEDA, Francisco, ČEKADA, Miha, HODNIK, Nejc, GABERŠČEK, Miran. Electrochemical insitu dissolution study of structurally ordered, disordered and gold doped PtCu 3 nanoparticles on carbon composites. Journal of Power Sources, 206, vol. 327, str [COBISS. SI-ID ] 9 ŠALA, Martin, BALABAN, Alexandru T., VEBER, Marjan, POMPE, Matevž. QSAR Models for estimating aryl hydrocarbon receptor binding affinity of polychlorobiphenyls, polychlorodibenzodioxins, and polychlorodibenzofurans. MATCH Communications in Mathematical and in Computer Chemistry, 206, vol. 75, no. 3, str [COBISS.SI-ID ] 20 PANIGHELLO, Serena, KAVČIČ, Anja, VOGEL-MIKUŠ, Katarina, TENNENT, N. H., WALLERT, Arie, HOČEVAR, Samo B., EL- TEREN, Johannes Teun van. Investigation of smalt in cross-sections of 7 th century paintings using elemental mapping by laser ablation ICP-MS. Microchemical Journal, 206, vol. 25, str [COBISS.SI-ID ] 2 ŠALA, Martin, LISA, Miroslav, CAMP- BELL, Larry J., HOLČAPEK, Michal. Determination of triacylglycerol regioisomers using differential mobility spectrometry. Rapid Communications in Mass Spectrometry, 206, vol. 30, iss. 2, str [COBISS.SI-ID ] 22 WEI, Qianhui, ZHANG, Meiqin, OGOREVC, Božidar, ZHANG, Xueji. Recent advances in the chemical imaging of human fingermarks (a review). Analyst, 206, vol. 4, iss. 22, str [COBISS.SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 23 PONGRAC, Paula, VOGEL-MIKUŠ, Katarina, POTISEK, Mateja, KOVAČEC, Eva, BUDIČ, Bojan, KUMP, Peter, REGVAR, Marjana, KREFT, Ivan. Mineral and trace element composition and importance for nutritional value of buckwheat grain, groats, and sprouts. V: ZHOU, Meiliang (ur.), KREFT, Ivan (ur.). Molecular Breeding and Nutritional Aspects of Buckwheat. London, Academic Press, Elsevier, 206, str [COBISS.SI-ID ] 24 ELTEREN, Johannes Teun van, PA- NIGHELLO, Serena, ŠELIH, Vid Simon, OR- SEGA, Emilio Francesco. Optimization of 2D LA-ICP-MS mapping of glass with decorative colored features: application to analysis of a polychrome vessel fragment from the iron age. V: DUSSUBIEUX, Laure (ur.). Recent Advances in Laser Ablation ICP-MS for Archaeology, (Natural Science in Archaeology), Heidelberg, Berlin, Springer, 206, str [COBISS.SI- ID ] Uredništva / Editorships 25 American Journal of Biomedical Sciences. Ogorevc, Božidar (član uredniškega odbora 200-). Sarasota (Fla.), New World Publishing International, ISSN [CO- BISS.SI-ID ] 26 Journal of Analytical Atomic Spectrometry. Elteren, Johannes van Teun (član uredniškega odbora 205-). London, The Royal Society of Chemistry. ISSN [CO- BISS.SI-ID ] 27 ZUPAN, Jure (urednik), ANDER- LUH, Gregor (urednik), ANDRENŠEK, Samo (uredniški odbor), DROLC, Andreja (uredniški odbor), GOLIČ GRDADOLNIK Simona (uredniški odbor), GRAH, Lilijana (uredniški odbor), KAUČIČ, Slavko, (uredniški odbor), OG- OREVC, Božidar (uredniški odbor), PIRC, Brigita (uredniški odbor), STARE, Jernej (uredniški odbor). Širimo meje znanosti. Ljubljana, Kemijski inštitut, 206, ISBN [COBISS.SI-ID ] 28 ELTEREN, Johannes Teun van (urednik), ŠALA, Martin (urednik), ŠELIH, Vid Simon (urednik). 3th European Workshop on Laser Ablation, Ljubljana, Slovenia, July 2-5 th, 206. Ljubljana, National Institute of Chemistry Slovenia, 206. ISBN [COBISS.SI-ID ] Mentorstva / Mentorship 29 PANIGHELLO, Serena, MORETTO, Ligia M. (mentor), ORSEGA, Emilio F. (somentor), van ELTEREN, Johannes T. (somentor). Development and application of laser ablation ICP- MS for the study of glass and its degradation, doktorska disertacija. Venezia, 206. [COBISS. SI-ID ] 30 KASTRIN, Peter, GRGIĆ, Irena (mentorica), BEŠTER ROGAČ, Marija (somentorica). Meritve trdnih delcev in črnega ogljika v avtomobilskih izpuhih in določitev emisijskih faktorjev, magistrsko delo. Ljubljana, 206. [CO- BISS.SI-ID ] 3 KADIVEC, Katarina, GALE, Luka (mentor), ŠELIH, Vid Simon (somentor). Sedimentološke značilnosti hotaveljskega apnenca (Sedimentological characteristics of Hotavlje limestone), diplomsko delo. Ljubljana, 206. [CO- BISS.SI-ID ] D05 Odsek za okoljske vede in inženirstvo / Department of Environmental Sciences and Engineering V celoti objavljeni članki (znanstveni) / Full Text Articles MURI, Petra, OSOJNIK ČRNIVEC, Ilja Gasan, DJINOVIĆ, Petar, PINTAR, Albin. Biohydrogen production from simple carbohydrates with optimization of operating parameters. Acta Chimica Slovenica, 206, vol. 63, no., str [COBISS.SI-ID ] 2 KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK, Jože, PINTAR, Albin. Simple synthesis of anatase/rutile/ brookite TiO 2 nanocomposite with superior mineralization potential for photocatalytic degradation of water pollutants. Applied Catalysis. B, Environmental, 206, vol. 8, str [COBISS.SI-ID ] 3 ERJAVEC, Boštjan, HUDOKLIN, Petra, PERC, Katja, TIŠLER, Tatjana, SOLLNER DO- LENC, Marija, PINTAR, Albin. Glass fiber-supported TiO 2 photocatalyst: efficient mineralization and removal of toxicity/estrogenicity of bisphenol A and its analogs. Applied Catalysis. B, Environmental, 206, vol. 83, str [COBISS.SI-ID ] 4 MOREIRA, Miguel N., RIBEIRO, Ana M., 74 Letno poročilo 206 _ Annual Report 75

89 CUNHA, Adelino F., RODRIGUES, Alírio E., ZABILSKY, Maxim, DJINOVIĆ, Petar, PINTAR, Albin. Copper based materials for water-gas shift equilibrium displacement. Applied Catalysis. B, Environmental, 206, vol. 89, str [COBISS.SI-ID ] 5 ZABILSKY, Maxim, DJINOVIĆ, Petar, TCH- ERNYCHOVA, Elena, PINTAR, Albin. N 2 O decomposition over CuO/CeO 2 catalyst: new insights into reaction mechanism and inhibiting action of H 2 O and NO by operando techniques. Applied Catalysis. B, Environmental, 206, vol. 97, str [COBISS.SI-ID ] 6 VASILIADES, M.A., MAKRI, M.M., DJINOVIĆ, Petar, ERJAVEC, Boštjan, PINTAR, Albin, EF- STATHIOU, A.M. Dry reforming of methane over 5 wt% Ni/Ce (-x) Pr x O 2-δ catalysts: performance and characterisation of active and inactive carbon by transient isotopic techniques. Applied Catalysis. B, Environmental, 206, vol. 97, str [COBISS.SI-ID ] 7 AW, Moom Sinn, DRAŽIĆ, Goran, DJINOVIĆ, Petar, PINTAR, Albin. Transition metal pairs on ceria-promoted, ordered mesoporous alumina as catalysts for the CO 2 reforming reaction of methane. Catalysis Science & Technology, 206, vol. 6, iss., str [COBISS. SI-ID ] 8 TIŠLER, Tatjana, KREL, Alja, GERŽELJ, Urška, ERJAVEC, Boštjan, SOLLNER DOLENC, Marija, PINTAR, Albin. Hazard identification and risk characterization of bisphenols A, F and AF to aquatic organisms. Environmental Pollution, 206, vol. 22, str [COBISS. SI-ID ] 9 COTMAN, Magda, ERJAVEC, Boštjan, DJINOVIĆ, Petar, PINTAR, Albin. Catalyst support materials for prominent mineralization of bisphenol A in catalytic ozonation process. Environmental Science and Pollution Research International, 206, vol. 23, iss. 0, str [COBISS.SI-ID ] 0 SENILA, Marin, CADAR, Oana, DROLC, Andreja, PINTAR, Albin, SENILA, Lacrimioara, FRENTIU, Tiberiu. Evaluation of the analytical capability of thermal desorption atomic absorption spectrometry method used for mercury determination in seafood. Studia Universitatis Babeş-Bolyai, Chemia, 206, iss. 3, tom 2, str [COBISS.SI-ID ] V celoti objavljeni članki (strokovni) / Full Text Articles KLEMENČIČ, Marina, OSOJNIK ČRNIVEC, Ilja Gasan, PINTAR, Albin, DOLINAR, Marko. Sintezna biologija za proizvodnjo biobutanola. Acta Chimica Slovenica, 206, vol. 63, no., str. S3-S9. [COBISS.SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works ing. Pintar, Albin (član uredniškega odbora 2008-). Sharjah (U.A.E.), Bentham Science, ISSN [COBISS.SI-ID ] 5 RSC Advances. Pintar, Albin (član uredniškega odbora 205-). Cambridge, RSC Publishing, 20-. ISSN [COBISS. SI-ID ] Mentorstva / Mentorships 6 ZABILSKY, Maxim, PINTAR, Albin (mentor), PLAZL, Igor (somentor). CuO-CeO 2 materials as catalyst for N 2 O decomposition: synthesis, characterization and catalytic activity (CuO-CeO 2 mešani kovinski oksidi kot katalizatorji za razgradnjo N 2 O: sinteza, karakterizacija in katalitska aktivnost), doctoral dissertation. Ljubljana, 206. [COBISS.SI-ID ] D06 3 MILOJKOVIĆ-OPSENICA, Dušanka, RISTIVOJEVIĆ, Petar, TRIFKOVIĆ, Jelena, VOVK, Irena, LUŠIĆ, Dražen, TEŠIĆ, Živoslav. TLC fingerprinting and pattern recognition methods in the assessment of authenticity of poplar-type propolis. Journal of Chromatographic Science, 206, vol. 54, iss. 7, str [COBISS.SI-ID ] 4 KRANJC, Eva, ALBREHT, Alen, VOVK, Irena, MAKUC, Damjan, PLAVEC, Janez. Non-targeted chromatographic analyses of cuticular wax flavonoids from Physalis alkekengi L. Journal of Chromatography A, 206, vol. 437, str [COBISS.SI-ID ] 5 MARTELANC, Mitja, NAUMOSKA, Katerina, VOVK, Irena. Determination of common triterpenoids and phytosterols in vegetable waxes by HPTLC-densitometry and HPTLC-image analysis. Journal of Liquid Chromatography & Related Technologies, 206, vol. 39, iss. 5/6, str [COBISS.SI-ID ] 6 RISTIVOJEVIĆ, Petar, DIMKIĆ, Ivica, TRIFKOVIĆ, Jelena, BERIĆ, Tanja, VOVK, Irena, MILOJKOVIĆ-OPSENICA, Dušanka, STANKOVIĆ, Slaviša. Antimicrobial activity of Serbian propolis evaluated by means of MIC, HPTLC, bioautography and chemometrics. PloS one, 206, vol., iss. 6, e e [COBISS.SI-ID ] 2 BEDINA ZAVEC, Apolonija, COTMAN, Magda, KRAŠEVEC, Nada, ŠAKANOVIĆ, Aleksandra, TOMŠIČ, Tea, LENARČIČ, Jelka, DEČKO, Urška, KISOVEC, Matic, HUSIĆ, Muharem, TKALEC, Kristjan, PODOBNIK, Marjetka, PINTAR, Albin, ANDERLUH, Gregor. Poletne delavnice na Kemijskem inštitutu. Ljubljana, Kemijski inštitut, 206. [COBISS.SI-ID ] Doktorati, magisteriji, diplome / Ph.D., M.Sc. and B.Sc. Theses 3 ZABILSKY, Maxim. CuO-CeO 2 materials as catalyst for N 2 O decomposition: synthesis, characterization and catalytic activity (CuO- CeO 2 mešani kovinski oksidi kot katalizatorji za razgradnjo N 2 O: sinteza, karakterizacija in katalitska aktivnost), doctoral dissertation. Ljubljana, 206. [COBISS.SI-ID ] Uredništva / Editorships 4 Recent Patents on Chemical Engineer- Odsek za prehrambeno kemijo / Department of Food Chemistry V celoti objavljeni članki (znanstveni) / Full Text Articles SCHWARZLIN, Romina, PUŠENJAK, Nika, MAKUC, Damjan, KRIŽMAN, Mitja, VOVK, Irena, PLAVEC, Janez, ŠVAJGER, Urban. Synergistic complex from plants Solanaceae exhibits cytotoxicity for the human hepatocellular carcinoma cell line HepG2. BMC Complementary and Alternative Medicine, 206, vol. 6, 395, str. -2. [COBISS.SI-ID ] 2 VOJVODIĆ, Aleksandra, KOMES, Draženka, VOVK, Irena, BELŠČAK-CVITANOVIĆ, Ana, BUŠIĆ, Arijana. Compositional evaluation of selected agro-industrial wastes as valuable sources for the recovery of complex carbohydrates. Food Research International, 206, vol. 89, part, str [COBISS.SI-ID ] V celoti objavljeni članki (strokovni) / Full Text Articles 7 PAVLICA, Damjan Jan, GOLEŽ, Tine. Jeklo: od alkimije do kemije in bogastva. Življenje in tehnika, 206, št., let. 67, str [COBISS. SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 8 MÓRICZ, Á., VOVK, Irena. Centrifugal layer 76 Letno poročilo 206 _ Annual Report 77

90 chromatography - rotation planar chromatography. V: TYIHÁK, Ernő (ur.). Forced-flow Layer Chromatography, Amsterdam, Kidlington, Waltham, Elsevier, 206, str [CO- BISS.SI-ID ] Uredništva / Editorships 9 Acta Chimica Slovenica. Vovk, Irena (področni urednik 20-). Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), ISSN [COBISS.SI-ID ] 0 Bulletin of University of Agricultural Sciences and Veterinary Medicine Cluj-Napoca. Food Science and Technology. Vovk, Irena (član uredniškega odbora 203-). Cluj-Napoca, AcademicPres, ISSN [COBISS. SI-ID ] Chromatography Research International. Vovk, Irena (član uredniškega odbora 20- ). Cairo, Hindawi Publishing Corporation. ISSN [COBISS.SI-ID ] D07 Odsek za polimerno kemijo in tehnologijo / Department of Polymer Chemistry and Technology V celoti objavljeni članki (znanstveni) / Full Text Articles PERDIH, Peter, KRŽAN, Andrej, ŽAGAR, Ema. Synthesis of dendronized poly(l-glutamate) via azide-alkyne click chemistry. Materials, 206, vol. 9, iss. 4, str. -5. [COBISS.SI-ID ] 2 KUNAVER, Matjaž, ANŽLOVAR, Alojz, ŽAGAR, Ema. The fast and effective isolation of nanocellulose from selected cellulosic feedstocks. Carbohydrate Polymers, 206, vol. 48, str [COBISS.SI-ID ] 3 ANŽLOVAR, Alojz, HUSKIĆ, Miroslav, ŽAGAR, Ema. Modification of nanocrystalline cellulose for application as a reinforcing nanofiller in PMMA composites. Cellulose, 206, vol. 23, iss., str [COBISS.SI-ID 58074] 4 JEMEC, Anita, HORVAT, Petra, KUNEJ, Urban, BELE, Marjan, KRŽAN, Andrej. Uptake and effects of microplastic textile fibers on freshwater crustacean Daphnia magna. Environmental Pollution, 206, vol. 29, str [COBISS.SI-ID ] 5 SLEMENIK PERŠE, Lidija, HUSKIĆ, Miroslav. Rheological characterization of multiarm star copolymers. European Polymer Journal, 206, vol. 76, str [COBISS.SI-ID ] 6 BERTONCELJ, Barbara, VOJISAVLJEVIĆ, Katarina, RIHTERŠIČ, Janez, TREFALT, Gregor, HUSKIĆ, Miroslav, ŽAGAR, Ema, MALIČ, Barbara. A Voronoi-diagram analysis of the microstructures in bulk-molding compounds and its correlation with the mechanical properties. Express Polymer Letters, 206, vol. 0, no. 6, str [COBISS.SI-ID ] 7 MIRNIK, Lidija, KOVAČIČ, Sebastijan, HUSKIĆ, Miroslav, PAHOVNIK, David, ŽAGAR, Ema. Replacement of conventional dedusting agents with green alternatives in production of rock mineral wool insulation products. Journal of Applied Polymer Science, 206, vol. 33, iss. 43, str. -6. [COBISS.SI-ID ] 8 KOVAČ VIRŠEK, Manca, PALATINUS, Andreja, KOREN, Špela, PETERLIN, Monika, HORVAT, Petra, KRŽAN, Andrej. Protocol for microplastics sampling on the sea surface and sample analysis. Journal of Visualized Experiments, 206, vol. 8, str. e [COBISS.SI-ID ] 9 ZALAZNIK, Maša, NOVAK, Saša, HUSKIĆ, Miroslav, KALIN, Mitjan. Tribological behaviour of a PEEK polymer containing solid MoS2 lubricants. Lubrication Science, 206, vol. 28, iss., str [COBISS.SI-ID ] 0 KOVAČIČ, Sebastijan, SILVERSTEIN, Michael S. Superabsorbent, high porosity, PAMPS-based hydrogels through emulsion templating. Macromolecular Rapid Communications, 206, vol. 37, iss. 22, str [COBISS.SI-ID ] GAJŠT, Tamara, BIZJAK, Tine, PALA- TINUS, Andreja, LIUBARTSEVA, Svitlana, KRŽAN, Andrej. Sea surface microplastics in Slovenian part of the Northern Adriatic. Marine Pollution Bulletin, 206, vol. 3, iss. /2, str [COBISS.SI-ID ] 2 PAHOVNIK, David, MAJER, Janja, ŽAGAR, Ema, KOVAČIČ, Sebastijan. Synthesis of hydrogel polyhipes from functionalized glycidyl methacrylate. Polymer Chemistry, 206, vol. 7, iss. 32, str [COBISS.SI-ID ] 3 STEINER, Ivana, STOJANOVIĆ, Nikolina, BOLJE, Aljoša, BROZOVIĆ, Anamaria, POLANČEC, Denis, AMBRIOVIĆ RISTOV, Andreja, RADIĆ STOJKOVIĆ, Marijana, PIANTAN- IDA, Ivo, ELJUGA, Domagoj, KOŠMRLJ, Janez, OSMAK, Maja. Discovery of click,2,3-triazolium salts as potential anticancer drugs. Radiology and Oncology, 206, vol. 50, no. 3, str [COBISS.SI-ID ] 4 MAJER, Janja, PALJEVAC, Muzafera, ŽAGAR, Ema, KOVAČIČ, Sebastijan, KRAJNC, Peter. Functionalization of 2-hydroxyethyl methacrylate-based polyhipes: effect of the leaving group. Reactive & Functional Polymers, 206, vol. 09, str [COBISS.SI- ID ] 5 KUNAVER, Matjaž. Biomass waste - a source of raw materials. Technologica Acta, 206, vol. 9, no., str [COBISS.SI-ID ] 6 PIRC, Urša, VIDMAR, Maja, MOZER, A., KRŽAN, Andrej. Emissions of microplastic fibers from microfiber fleece during domestic washing. Environmental Science and Pollution Research International, 206, vol. 23, iss. 2, str [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 7 SELJAK, Tine, ČUK, Nataša, KUNAVER, Matjaž, KATRAŠNIK, Tomaž. Energy recovery from residue of nanocellulose production. V: Venice 206, 6 th International Symposium on Energy from Biomass and Waste, Venice, 4-7 November 206. [COBISS.SI-ID 55709] 8 VRBNJAK, David, POGORELČNIK, Barbara, ŽIGON, Majda, MUSIL, Vojko. Primerjava mehanskih lastnosti nemodificiranih in SEBS modificiranih mešanic PET/PC (Comparison of mechanical properties of unmodified and by SEBS modified PET/PC blends). V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206, [COBISS.SI-ID ] 9 HUSKIĆ, Miroslav, ŽAGAR, Ema, KRŽAN, Andrej. Degradacija polikaprolaktona v slani vodi (Degradation of polycaprolactone in salted water). V: KAUČIČ, Venčeslav (ur.), BEŠTER- ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS.SI-ID ] 78 Letno poročilo 206 _ Annual Report 79

91 Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 20 KRŽAN, Andrej. Sustainability and plastics. V: KOLLER, Martin (ur.). Microbial Biopolyester Production, Performance and Processing. (Vol. 2): (Bioengineering, Characterization, and Sustainability), Recent Advances in Biotechnology. Bentham ebooks, 206, str [COBISS.SI-ID ] 2 ANŽLOVAR, Alojz, ŽIGON, Majda, ŽAGAR, Ema. Microwave and ultrasound assisted degradation of cellulose and isolation processes of cellulose nanocrystals. V: MONDAL, Ibrahim H. (ur.). Nanocellulose, Cellulose Nanofibers, and Cellulose Nanocomposites: Synthesis and Applications, Chemistry Research and Applications. New York, Nova Science, 206, str [COBISS.SI-ID ] Patenti in patentne prijave / Patents and Patent Applications 22 HOČEVAR, Stanko, KRŽAN, Andrej. Polyoxometalate salts, proton exchange membranes and precursors, membrane-electrode assemblies, fuel cells and methods, patentna prijava, WO 206/ (A), München, World Intellectual Property Organization, International Bureau, 206. [COBISS. SI-ID ] Uredništva / Editorships 23 Acta Chimica Slovenica. Žigon, Majda (član uredniškega odbora 200-). Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), ISSN [COBISS. SI-ID ] 24 JCT Research. Kunaver, Matjaž (član uredniškega odbora 2007-). Blue Bell, PA, Federation of Societies for Coatings Technology, ISSN [COBISS.SI-ID 4804] 25 Materiali in tehnologije. Žigon, Majda (področni urednik , član uredniškega sveta 2005-, član uredniškega odbora ), Žagar, Ema (član uredniškega odbora 202-). Ljubljana, Inštitut za kovinske materiale in tehnologije, ISSN [COBISS.SI-ID ] 26 Pigment & Resin Technology. Kunaver, Matjaž (član uredniškega odbora 2003-). London, Sawell Publications. ISSN [COBISS.SI-ID ] 27 Polimeri. Žigon, Majda (član uredniškega sveta 203-). Zagreb, Društvo za plastiku i gumu (Society of plastics and rubber engineers), ISSN [COBISS.SI-ID ] 28 Surface Coatings International, Part B, Coatings Transactions. Kunaver, Matjaž (član uredniškega odbora 200-). Wembley, SURFEX Limited, ISSN [COBISS. SI-ID ] 29 Technologica Acta. Kunaver, Matjaž (član uredniškega odbora 205-). Tuzla, Tehnološki fakultet, ISSN [COBISS.SI- ID ] Intervjuji in mediji / Interviews and Media 30 KUTOŠ, Štefan, KOVAČIČ, Sebastijan. Kemik dr. Sebastjan Kovačič, intervju v oddaji Podobe znanja, Radio Slovenija, tretji program (ARS), Ljubljana, Radiotelevizija Slovenija, 206. [COBISS.SI-ID ] Mentorstva / Mentorship 3 MIRNIK, Lidija, ŽAGAR, Ema (mentorica), KOČAR, Drago (somentor). Vpliv sestave vezivnega sistema na lastnosti izolacijskih materialov iz kamene volne (The influence of composition of a binder mixture on the properties of rock mineral wool insulation materials ), doktorska disertacija. Ljubljana, 206. [CO- BISS.SI-ID ] 32 SELJAK, Tine, KATRAŠNIK, Tomaž (mentor), KUNAVER, Matjaž (somentor). Uporaba inovativnega lignoceluloznega biogoriva za pogon plinskih turbin, doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 33 HARNIK, Franc, KUNAVER, Matjaž (mentor), KOVAČIČ, Sebastjan (somentor). Utekočinjen les kot gorivo, magistrsko delo. Slovenj Gradec, 206. [COBISS.SI-ID ] 34 POGLAJEN, Breda, KRŽAN, Andrej (mentor). Ovrednotenje vpliva eksperimentalnih dejavnikov na izmerjene vrednosti respiracijske aktivnosti AT4, magistrsko delo. Nova Gorica, 206. [COBISS.SI-ID ] 35 DIBELČAR, Rene, ŽIGON, Majda (mentorica), BOLKA, Silvester (somentor). Opredelitev lepil na vodni osnovi in njihova uporaba v avtomobilski industriji, diplomsko delo. Slovenj Gradec, 206. [COBISS.SI-ID ] 36 VRTAČNIK, Tjaša, KUNAVER, Matjaž (mentor). Uporaba papirniških odpadkov za pridobivanje nanoceluloze, diplomsko delo. Slovenj Gradec, 206. [COBISS.SI-ID ] 37 GAJŠT, Tamara, KRŽAN, Andrej (mentor). Analiza ostankov plastike v komercialnem kompostu, diplomsko delo. Nova Gorica, 206. [COBISS.SI-ID 45963] 38 MSTEINMAN, Tjaša, KRŽAN, Andrej (mentor). Optimiranje zbiranja komunalnih odpadkov, diplomsko delo. Nova Gorica, 206. [COBISS.SI-ID ] 39 PETERNELJ, Polona, KRŽAN, Andrej (mentor). Pregled stanja in predlog sprememb ravnanja z odpadno embalažo v RS, diplomsko delo. Nova Gorica, 206. [COBISS.SI-ID ] 40 JANDROK, Primož, BOLKA, Silvester (mentor), ŽIGON, Majda (somentorica). Tehnologija zalivanja z duroplastom in testiranje vzorcev delovnih površin protimodelov vrat hladilnikov, diplomsko delo. Slovenj Gradec, 206. [COBISS.SI-ID ] D09 Odsek za anorgansko kemijo in tehnologijo / Department of Inorganic Chemistry and Technology V celoti objavljeni članki (znanstveni) / Full Text Articles ŠULIGOJ, Andraž, LAVRENČIČ ŠTANGAR, Urška, RISTIĆ, Alenka, MAZAJ, Matjaž, VERHOVŠEK, Dejan, NOVAK TUŠAR, Nataša. TiO 2 -SiO 2 films from organic-free colloidal TiO 2 anatase nanoparticles as photocatalyst for removal of volatile organic compounds from indoor air. Applied Catalysis. B, Environmental, 206, vol. 84, str [COBISS.SI-ID ] 2 PODLOGAR, Matejka, REČNIK, Aleksander, YILMAZOGLU, Gurkan, ÖZER, İsmail Özgür, MAZAJ, Matjaž, SUVACI, Ender, BERNIK, Slavko. The role of hydrothermal pathways in the evolution of the morphology of ZnO crystals. Ceramics International, 206, vol. 42, no. 4, str [COBISS.SI-ID ] 3 PLIEKHOV, Oleksii, ARČON, Iztok, NOVAK TUŠAR, Nataša, LAVRENČIČ ŠTANGAR, Urška. Photocatalytic activity of zirconium- and manganese-codoped titania in aqueous media: the role of the metal dopant and its incorporation site. ChemCatChem, 206, vol. 8, iss. 2, str [COBISS.SI-ID ] 4 MALI, Gregor, UBRANI M., Manu Patel, 80 Letno poročilo 206 _ Annual Report 8

92 MAZAJ, Matjaž, DOMINKO, Robert. Stable crystalline forms of Na polysulfides: experiment versus ab initio computational prediction. Chemistry, A European Journal, 206, vol. 22, iss.0, str [COBISS.SI-ID ] 5 BITENC, Jan, PIRNAT, Klemen, MALI, Gregor, NOVOSEL, Barbara, RANDON-VITANOVA, Anna, DOMINKO, Robert. Poly(hydroquinoylbenzoquinonyl sulfide) as an active material in Mg and Li organic batteries. Electrochemistry Communications, 206, vol. 69, str. -5. [CO- BISS.SI-ID ] 6 PLIEKHOVA, Olena, ARČON, Iztok, PLIEKHOV, Oleksii, NOVAK TUŠAR, Nataša, LAVRENČIČ ŠTANGAR, Urška. Cu and Zr surface sites in the photocatalytic activity of TiO 2 nanoparticles. Environmental Science and Pollution Research International, 206, str. -. [COBISS.SI-ID ] 7 KOVAČIĆ, Marin, SALAEH, Subhan, KUŠIĆ, Hrvoje, ŠULIGOJ, Andraž, KETE, Marko, FA- NETTI, Mattia, LAVRENČIČ ŠTANGAR, Urška, DIONYSIOU, Dionysios D., LONČARIĆ BOŽIĆ, Ana. Solar-driven photocatalytic treatment of diclofenac using immobilized TiO 2 -based zeolite composites. Environmental Science and Pollution Research International, 206, vol. 23, iss. 8, str [COBISS.SI-ID ] 8 TRENDAFILOVA, Ivalina, SZEGEDI, Agnes, YONCHEVA, Krassimira, SHESTAKOVA, Pavletta, MIHÁLY, Judith, RISTIĆ, Alenka, KON- STANTINOV, Spiro, POPOVA, Margarita. A ph dependent delivery of mesalazine from polymer coated and drug-loaded SBA-6 systems. European Journal of Pharmaceutical Sciences, 206, vol. 8, str [COBISS.SI-ID ] 9 BERCHA, Sofiia, MALI, Gregor, KHAL- AKHAN, Ivan, SKÁLA, Tomáš, PRINCE, Kevin C., MATOLÍN, Vladimír, TSUD, Nataliya. Histidine adsorption on nanostructured cerium oxide. Journal of Electron Spectroscopy and Related Phenomena, 206, vol. 22, str [COBISS.SI-ID ] 0 MOŠKON, Jože, PIVKO, Maja, JERMAN, Ivan, TCHERNYCHOVA, Elena, ZABUKOVEC LOGAR, Nataša, ZORKO, Milena, ŠELIH, Vid Simon, DOMINKO, Robert, GABERŠČEK, Miran. Cycling stability and degradation mechanism of LiMnPO 4 based electrodes. Journal of Power Sources, 206, vol. 303, str [COBISS.SI-ID ] PIRNAT, Klemen, MALI, Gregor, GABERŠČEK, Miran, DOMINKO, Robert. Quinone-formaldehyde polymer as an active material in Li-ion batteries. Journal of Power Sources, 206, vol. 35, str [COBISS. SI-ID ] 2 JOVANOVIC, Mina, ARČON, Iztok, KOVAČ, Janez, NOVAK TUŠAR, Nataša, OBRADOVIĆ, Bojana, RAJIĆ, Nevenka. Removal of manganese in batch and fluidized bed systems using beads of zeolite A as adsorbent. Microporous and Mesoporous Materials, 206, vol. 226, str [COBISS.SI-ID ] 3 POPOVA, Margarita, SZEGEDI, Agnes, LAZAROVA, Hristina, RISTIĆ, Alenka, KAL- VACHEV, Yuri, ATANASOVA, Genoveva, WIL- DE, Nicole, NOVAK TUŠAR, Nataša, GLÄSER, Roger. Synthesis of biomass derived levulinate esters on novel sulfated Zr/KIL-2 composite catalysts. Microporous and Mesoporous Materials, 206, vol. 235, str [COBISS.SI-ID ] 4 HUYBRECHTS, W., MALI, Gregor, KUŚTROWSKI, P., WILLHAMMAR, T., MERTENS, M., BALS, S., VAN DER VOORT, P., COOL, Pegie. Post-synthesis bromination of benzene bridged PMO as a way to create a high potential hybrid material. Microporous and Mesoporous Materials, 206, vol. 236, str [COBISS.SI-ID ] 5 VARLEC, Jure, KRAJNC, Andraž, MAZAJ, Matjaž, RISTIĆ, Alenka, VANATALU, Kalju, OSS, Andres, SAMOSON, Ago, KAUČIČ, Venčeslav, MALI, Gregor. Dehydration of AlPO 4-34 studied by variable-temperature NMR, XRD and first-principles calculations. New Journal of Chemistry, iss. 5, vol. 40, 206, str [COBISS.SI-ID ] 6 RISTIĆ, Alenka, et al. IEA SHC task 42/ ECES annex 29 WG A: engineering and processing of PCMs, TCMs and sorption materials. Energy Procedia, 206, vol. 9, str [COBISS.SI-ID ] 7 KURTJAK, Mario, VUKOMANOVIĆ, Marija, KRAJNC, Andraž, KRAMER, Lovro, TURK, Boris, SUVOROV, Danilo. Designing Ga(III)- containing hydroxyapatite with antibacterial activity. RSC Advances, 206, vol. 6, iss. 4, str [COBISS.SI-ID ] 8 IGARASHI, Mutsuo, JEGLIČ, Peter, KRA- JNC, Andraž, ŽITKO, Rok, NAKANO, Takehito, NOZUE, Yasuo, ARČON, Denis. Metal-to-insulator crossover in alkali doped zeolite. Scientific Reports, 206, vol. 6, str [COBISS.SI-ID ] 9 MAZAJ, Matjaž, KAUČIČ, Venčeslav, ZA- BUKOVEC LOGAR, Nataša. Chemistry of metal-organic frameworks monitored by advanced X-ray diffraction and scattering techniques. Acta Chimica Slovenica, 206, vol. 63, no. 3, str [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 20 FAKIN, Darinka, RISTIĆ, Alenka, HRIB- ERNIK, Silvo, OJSTRŠEK, Alenka. The impact of zeolite application technique on the surface morphologies of cellulose fibres. V: SUDAR- SHAN, T.S. (ur.), SOMERS, Marcel A.J. (ur.). Surface modification technologies XXIX: Proceedings of the Twenty Ninth International Conference on Surface Modification Technologies, Technical University of Denmark, Kongens Lyngby, Denmark, June 0-2, 205. Valardocs, 206, str [COBISS.SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 2 MALI, Gregor. Looking into metal-organic frameworks with solid-state NMR spectroscopy. V: ZAFAR, Fahmina (ur.). Metal-organic frameworks. Rijeka, InTech, 206, str [COBISS.SI-ID ] 22 ZABUKOVEC LOGAR, Nataša. Elektriko lahko pridobimo tudi iz alg. V: ČINKOLE KRISTAN, Eva (ur.), ČINKOLE KRISTAN, Eva, RAJER, Borut. Obnovljivi viri energije v Sloveniji - prerez časa in prostora. Ljubljana, Borzen, 206, str. -7. [COBISS.SI-ID ] Uredništva / Editorships 23 Acta Chimica Slovenica. Kaučič, Venčeslav (član uredniškega odbora 998-). Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), ISSN [COBISS.SI-ID ] 24 ChemistrySelect. Mali, Gregor (član uredniškega odbora 206-). Weinheim, Wiley - VCH, ISSN [COBISS.SI-ID ] 25 International Journal of Molecular Sciences. Kaučič, Venčeslav (član uredniškega odbora 200-). Basel, MDPI, ISSN [COBISS.SI-ID ] 26 Microporous and Mesoporous Materials. Kaučič, Venčeslav (član uredniškega odbora 2003-). Amsterdam, Elsevier, ISSN [COBISS.SI-ID 59562] 27 ZUPAN, Jure (urednik), ANDER- LUH, Gregor (urednik), ANDRENŠEK, Samo 82 Letno poročilo 206 _ Annual Report 83

93 (uredniški odbor), DROLC, Andreja (uredniški odbor), GOLIČ GRDADOLNIK Simona (uredniški odbor), GRAH, Lilijana (uredniški odbor), KAUČIČ, Slavko, (uredniški odbor), OG- OREVC, Božidar (uredniški odbor), PIRC, Brigita (uredniški odbor), STARE, Jernej (uredniški odbor). Širimo meje znanosti. Ljubljana, Kemijski inštitut, 206, ISBN [COBISS.SI-ID ] 28 RISTIĆ, Alenka (urednik). TASK 42 Annex 29 ( ), working group A materials, engineering /processing, final report. Ljubljana, National Institute of Chemistry Slovenia, 206. [COBISS.SI-ID ] 29 KAUČIČ, Venčeslav (urednik), BEŠTER- ROGAČ, Marija (urednik), GANTAR, Marjana (urednik), 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Zbornik referatov in povzetkov. Ljubljana, Slovensko kemijsko društvo, 206. ISBN [COBISS.SI-ID ] Mentorstva / Mentorship 30 FAKIN, Tomaž, KAUČIČ, Venčeslav (mentor), MEDEN, Anton (somentor). Napredni granulirani zeoliti s hierarhično strukturo por na pol-industrijskem nivoju, doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 3 KOBAL, Tatjana, NOVAK TUŠAR, Nataša (mentorica). Structural properties of manganese-functionalized silica aerogels, master s thesis. Nova Gorica, 206. [COBISS.SI-ID ] D0 Odsek za kemijo materialov / Department of Materials Chemistry V celoti objavljeni članki (znanstveni) / Full Text Articles GATALO, Matija, JOVANOVIČ, Primož, POLYMEROS, George, GROTE, Jan-Phillip, PAVLIŠIČ, Andraž, RUIZ-ZEPEDA, Francisco, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., BELE, Marjan, MAYRHOFER, Karl, HODNIK, Nejc, GABERŠČEK, Miran. Positive effect of surface doping with Au on the stability of Pt-based electrocatalysts. ACS Catalysis, 206, vol. 6, iss. 3, str [COBISS.SI- ID ] 2 PAVLIŠIČ, Andraž, JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, BELE, Marjan, DRAŽIĆ, Goran, ARČON, Iztok, HOČEVAR, Samo B., KOKALJ, Anton, HODNIK, Nejc, GABERŠČEK, Miran. Atomically resolved dealloying of structurally ordered Pt nanoalloy as an oxygen reduction reaction electrocatalyst. ACS Catalysis, 206, vol. 6, iss. 8, str [COBISS.SI-ID ] 3 DOMINKO, Robert, UBRANI M., Manu Patel, BELE, Marjan, PEJOVNIK, Stane. Sulphured polyacrylonitrile composite analysed by in operando UV-Visible spectroscopy and 4-electrode Swagelok cell. Acta Chimica Slovenica, 206, vol. 63, no. 3, [COBISS. SI-ID ] 4 MOŠKON, Jože, PIVKO, Maja, GABERŠČEK, Miran. Basic electrochemical performance of pure LiMnPO 4 : a comparison with selected conventional insertion materials. Acta Chimica Slovenica, 206, vol. 63, no. 3, str [COBISS.SI-ID 59994] 5 JAPIĆ, Dajana, MARINŠEK, Marjan, CRN- JAK OREL, Zorica. Effect of ZnO on the thermal degradation behavior of poly(methyl methacrylate) nanocomposites. Acta Chimica Slovenica, 206, vol. 63, no. 3, str [COBISS. SI-ID ] 6 ROSAL, Blanca del, PÉREZ-DELGADO, Alberto, CARRASCO, Elisa, JOVANOVIĆ, Dragana J., DRAMIĆANIN, Miroslav D., DRAŽIĆ, Goran, FUENTE, Ángeles Juarranz de la, SANZ-RODRIGUEZ, Francisco, JAQUE, Daniel. Neodymium-based stoichiometric ultrasmall nanoparticles for multifunctional deep-tissue photothermal therapy. Advanced Optical Materials, 206, vol. 4, iss. 5, str [COBISS. SI-ID ] 7 KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK, Jože, PINTAR, Albin. Simple synthesis of anatase/rutile/ brookite TiO 2 nanocomposite with superior mineralization potential for photocatalytic degradation of water pollutants. Applied Catalysis. B, Environmental, 206, vol. 8, str [COBISS.SI-ID ] 8 ZABILSKY, Maxim, DJINOVIĆ, Petar, TCH- ERNYCHOVA, Elena, PINTAR, Albin. N 2 O decomposition over CuO/CeO 2 catalyst: new insights into reaction mechanism and inhibiting action of H 2 O and NO by operando techniques. Applied Catalysis. B, Environmental, 206, vol. 97, str [COBISS.SI-ID ] 9 ROGELJ, Nina, KLANJŠEK GUNDE, Marta. Goniospectrometric space curve for coatings with special effect pigments. Applied Optics, 206, vol. 55, iss., str [COBISS.SI-ID ] 0 ROGELJ, Nina, PENTTINEN, Niko, ČEKADA, Miha, KLANJŠEK GUNDE, Marta. Goniospectrometric space: identifiable presentation of spectral goniometric data for complex diffractive samples. Applied Optics, 206, vol. 55, iss. 8, str [COBISS. SI-ID ] PORI, Pavel, VILČNIK, Aljaž, PETRIČ, Marko, SEVER ŠKAPIN, Andrijana, MIHELČIČ, Mohor, SURCA, Angelja Kjara, NOVAK, Urban, OREL, Boris. Structural studies of TiO 2 /wood coatings prepared by hydrothermal deposition of rutile particles from TiCl 4 aqueous solutions on spruce (Picea Abies) wood. Applied Surface Science, 206, vol. 372, str [COBISS. SI-ID 25853] 2 KURINČIČ, Marija, JERŠEK, Barbara, KLANČNIK, Anja, SMOLE MOŽINA, Sonja, FINK, Rok, DRAŽIĆ, Goran, RASPOR, Peter, BOHINC, Klemen. Effects of natural antimicrobials on bacterial cell hydrophobicity, adhesion, and zeta potential (Vpliv naravnih protimikrobnih snovi na bakterijsko hidrofobnost, adhezijo in zeta potencial). Arhiv za higijenu rada i toksikologiju, 206, vol. 67, str [COBISS.SI-ID ] 3 BOŽIČ ABRAM, Sabina, AUPIČ, Jana, DRAŽIĆ, Goran, GRADIŠAR, Helena, JERALA, Roman. Coiled-coil forming peptides for the induction of silver nanoparticles. Biochemical and Biophysical Research Communications, 206, vol. 472, iss. 3, str [COBISS.SI- ID ] 4 AW, Moom Sinn, DRAŽIĆ, Goran, DJINOVIĆ, Petar, PINTAR, Albin. Transition metal pairs on ceria-promoted, ordered mesoporous alumina as catalysts for the CO 2 reforming reaction of methane. Catalysis Science & Technology, 206, vol. 6, iss., str [COBISS.SI-ID ] 5 MILOVIĆ, Miloš, JUGOVIĆ, Dragana, MITRIĆ, Miodrag, DOMINKO, Robert, STOJKOVIĆ-SIMATOVIĆ, Ivana, JOKIĆ, Bojan, USKOKOVIĆ, Dragan. The use of methylcellulose for the synthesis of Li 2 FeSiO 4 /C composites. Cellulose, 206, vol. 23, iss., str [COBISS.SI-ID ] 6 VASILJEVIĆ, Jelena, ZORKO, Milena, TOMŠIČ, Brigita, JERMAN, Ivan, SIMONČIČ, 84 Letno poročilo 206 _ Annual Report 85

94 Barbara. Fabrication of the hierarchically roughened bumpy-surface topography for the long-lasting highly oleophobic lotus effect on cotton fibres. Cellulose, 206, vol. 23, no. 5, str [COBISS.SI-ID ] 7 MALI, Gregor, UBRANI M., Manu Patel, MAZAJ, Matjaž, DOMINKO, Robert. Stable crystalline forms of Na polysulfides: experiment versus ab initio computational prediction. Chemistry, A European Journal, 206, vol. 22, iss.0, str [COBISS.SI-ID ] 8 AVSENIK, Lidija, KLINAR, Dušan, TUŠAR, Marjan, SLEMENIK PERŠE, Lidija. Use of modified slow tire pyrolysis product as a rejuvenator for aged bitumen. Construction & Building Materials, 206, vol. 20, str [CO- BISS.SI-ID ] 9 RODOŠEK, Mirjana, KRETA, Ahmed, GABERŠČEK, Miran, SURCA, Angelja Kjara. Ex situ IR reflection-absorption and in situ AFM electrochemical characterisation of the,2-bis(trimethoxysilyl)ethane-based protective coating on AA 2024 alloy. Corrosion Science, 206, vol. 02, str [COBISS.SI- ID ] 20 KRETA, Ahmed, RODOŠEK, Mirjana, SLEMENIK PERŠE, Lidija, OREL, Boris, GABERŠČEK, Miran, SURCA, Angelja Kjara. In situ electrochemical AFM, ex situ IR reflection-absorption and confocal Raman studies of corrosion processes of AA 2024-T3. Corrosion Science, 206, vol. 04, str [COBISS. SI-ID ] 2 ŠVARA FABJAN, Erika, OTONIČAR, Mojca, GABERŠČEK, Miran, SEVER ŠKAPIN, Andrijana. Surface protection of an organic pigment based on a modification using a mixed-micelle system. Dyes and Pigments, 206, vol. 27, str [COBISS.SI-ID ] 22 BITENC, Jan, PIRNAT, Klemen, MALI, Gregor, NOVOSEL, Barbara, RAN- DON-VITANOVA, Anna, DOMINKO, Robert. Poly(hydroquinoyl-benzoquinonyl sulfide) as an active material in Mg and Li organic batteries. Electrochemistry Communications, 206, vol. 69, str. -5. [COBISS.SI-ID ] 23 JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., RUIZ- ZEPEDA, Francisco, HODNIK, Nejc, BELE, Marjan, GABERŠČEK, Miran. Potentiodynamic dissolution study of PtRu/C electrocatalyst in the presence of methanol. Electrochimica Acta, 206, vol. 2, str [COBISS.SI- ID ] 24 JEMEC, Anita, HORVAT, Petra, KUNEJ, Urban, BELE, Marjan, KRŽAN, Andrej. Uptake and effects of microplastic textile fibers on freshwater crustacean Daphnia magna. Environmental Pollution, 206, vol. 29, str [COBISS.SI-ID ] 25 SLEMENIK PERŠE, Lidija, HUSKIĆ, Miroslav. Rheological characterization of multiarm star copolymers. European Polymer Journal, 206, vol. 76, str [COBISS.SI-ID ] 26 VASILJEVIĆ, Jelena, GORJANC, Marija, JERMAN, Ivan, TOMŠIČ, Brigita, MODIC, Martina, MOZETIČ, Miran, OREL, Boris, SIMONČIČ, Barbara. Influence of oxygen plasma pretreatment on the water repellency of cotton fibers coated with perfluoroalkyl-functionalized polysilsesquioxane. Fibers and Polymers, 206, vol. 7, no. 5, str [COBISS.SI-ID ] 27 OTA, Ajda, ŠENTJURC, Marjeta, BELE, Marjan, AHLIN GRABNAR, Pegi, POKLAR UL- RIH, Nataša. Impact of carrier systems on the interactions of coenzyme Q0 with model lipid membranes. Food Biophysics, 206, iss., vol., str [COBISS.SI-ID ] 28 PORI, Maja, LIKOZAR, Blaž, MARINŠEK, Marjan, CRNJAK OREL, Zorica. Preparation of Cu/ZnO-based heterogeneous catalysts by photochemical deposition, their characterisation and application for methanol synthesis from carbon dioxide and hydrogen. Fuel Processing Technology, 206, vol. 46, str [COBISS.SI-ID ] 29 JURKIN, Tanja, GULIŠ, Martina, DRAŽIĆ, Goran, GOTIĆ, Marijan. Synthesis of gold nanoparticles under highly oxidizing conditions. Gold Bulletin, 206, vol. 49, iss., str [COBISS.SI-ID ] 30 STRAUSS, Florian Alexander, ROUSSE, Gwenaelle, SOUGRATI, Moulay Tahar, DAL- LA CORTE, Daniel Alves, COURTY, Matthieu, DOMINKO, Robert, TARASCON, Jean-Marie. Synthesis, structure, and electrochemical properties of Na 3 MB 5 O 0 (M = Fe, Co) containing M 2+ in tetrahedral coordination. Inorganic Chemistry, 206, vol. 55, iss. 24, str [COBISS.SI-ID ] 3 BOHINC, Klemen, DRAŽIĆ, Goran, ABRAM, Anže, JEVŠNIK, Mojca, JERŠEK, Barbara, NIPIČ, Damijan, KURINČIČ, Marija, RA- SPOR, Peter. Metal surface characteristics dictate bacterial adhesion capacity. International Journal of Adhesion and Adhesives, 206, vol. 68, str [COBISS.SI-ID ] 32 COVACIU ROMONŢI, D., ISKRA, Jernej, BELE, Marjan, DEMETRESCU, Ioana, MILOŠEV, Ingrid. Elaboration and characterization of fluorohydroxyapatite and fluoroapatite sol-gel coatings on CoCrMo alloy. Journal of Alloys and Compounds, 206, vol. 665, str [COBISS.SI-ID ] 33 CONTRERAS, Oscar E., RUIZ-ZEPEDA, Francisco, AVALOS-BORJA, Miguel, DADGAR, Armin, KROST, A. Termination of hollow core nanopipes in GaN by an AlN interlayer. Journal of Crystal Growth, 206, vol. 455, str [COBISS.SI-ID ] 34 ABRAM, Anže, ERŠTE, Andreja, DRAŽIĆ, Goran, BOBNAR, Vid. Structural and dielectric properties of hydrothermally prepared boehmite coatings on an aluminium foil. Journal of Materials Science, Materials in Electronics, 206, vol. 27, no. 0, str [CO- BISS.SI-ID ] 35 THIAN, Dickson, YEMANE, Yonas T., LOG- AR, Manca, XU, Shicheng, SCHINDLER, Peter, WINTERKORN, Martin M., PROVINE, J., PRINZ, Friedrich B. Atomically flat silicon oxide monolayer generated by remote plasma. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces, 206, vol. 20 no. 5, str [COBISS.SI-ID ] 36 KAVČIČ, Matjaž, BUČAR, Klemen, PET- RIC, Marko, ŽITNIK, Matjaž, ARČON, Iztok, DOMINKO, Robert, VIŽINTIN, Alen. Operando resonant inelastic X-ray scattering: an appropriate tool to characterize sulfur in Li-S batteries. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces, 206, vol. 20, no. 43, str [COBISS.SI-ID ] 37 MOŠKON, Jože, PIVKO, Maja, JERMAN, Ivan, TCHERNYCHOVA, Elena, ZABUKOVEC LOGAR, Nataša, ZORKO, Milena, ŠELIH, Vid Simon, DOMINKO, Robert, GABERŠČEK, Miran. Cycling stability and degradation mechanism of LiMnPO 4 based electrodes. Journal of Power Sources, 206, vol. 303, str [COBISS.SI-ID ] 38 PIRNAT, Klemen, MALI, Gregor, GABERŠČEK, Miran, DOMINKO, Robert. Quinone-formaldehyde polymer as an active material in Li-ion batteries. Journal of Power Sources, 206, vol. 35, str [COBISS. SI-ID ] 39 JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., PAVLIŠIČ, Andraž, GATALO, Matija, BELE, Marjan, RUIZ- ZEPEDA, Francisco, ČEKADA, Miha, HODNIK, Nejc, GABERŠČEK, Miran. Electrochemical insitu dissolution study of structurally ordered, disordered and gold doped PtCu 3 nanoparticles on carbon composites. Journal of Power 86 Letno poročilo 206 _ Annual Report 87

95 Sources, 206, vol. 327, str [COBISS. SI-ID ] 40 BALOCH, Marya, VIŽINTIN, Alen, KUMAR CHELLAPPAN, Rajesh, MOŠKON, Jože, SHAN- MUKARAJ, Devaraj, DEDRYVÈRE, Rémi, ROJO, Teofilo, DOMINKO, Robert. Application of gel polymer electrolytes based on ionic liquids in lithium-sulfur batteries. Journal of the Electrochemical Society, 206, vol. 63, no. 0, str. A2390-A2398. [COBISS.SI-ID ] 4 JURKIN, Tanja, ŠTEFANIĆ, Goran, DRAŽIĆ, Goran, GOTIĆ, Marijan. Synthesis route to δ-feooh nanodiscs. Materials Letters, 206, vol. 73, str. 55- [COBISS.SI-ID ] 42 CAR, Tihomir, NEKIĆ, Nikolina, JERČINOVIĆ, Marko, SALAMON, Krešimir, BOGDANOVIĆ-RADOVIĆ, Iva, DELAČ MARION, Ida, DASOVIĆ, Jasna, DRAŽIĆ, Goran, IVANDA, Mile, BERNSTORFF, Sigrid, PIVAC, Branko, KRALJ, Marko, RADIĆ, Nikola, BULJAN, Maja. Closely packed Ge quantum dots in ITO matrix: influence of Ge crystallization on optical and electrical properties. Materials Research Express, 206, vol. 3, no. 6, [COBISS.SI-ID ] 43 PANÁK, Ondrej, DRŽKOVÁ, Markéta, KA- PLANOVÁ, Marie, KLANJŠEK GUNDE, Marta. Dynamic colour change of multifunctional thermochromic-fluorescent pigments. Materials Science Forum, 206, vol. 859, str [COBISS.SI-ID ] 44 STRAUSS, Florian Alexander, ROUSSE, Gwenaelle, DALLA CORTE, Daniel Alves, HAS- SINE, Mohamed Ben, SAUBANÈRE, Matthieu, TANG, Mingxue, VEZIN, Hervé, COURTY, Matthieu, DOMINKO, Robert, TARASCON, Jean- Marie. Electrochemical activity and high ionic conductivity of lithium copper pyroborate Li 6 CuB 4 O 0. PCCP. Physical Chemistry Chemical Physics, 206, vol. 8, iss. 22, str [COBISS.SI-ID 59554] 45 ŠEHIĆ, Alisa, TOMŠIČ, Brigita, JERMAN, Ivan, VASILJEVIĆ, Jelena, MEDVED, Jože, SIMONČIČ, Barbara. Synergistic inhibitory action of P- and Si-containing precursors in sol-gel coatings on the thermal degradation of polyamide 6. Polymer Degradation and Stability, 206, vol. 28, str [COBISS.SI-ID ] 46 KOVAČEVIĆ, Davor, PRATNEKAR, Rok, GODIČ TORKAR, Karmen, SALOPEK, Jasmina, DRAŽIĆ, Goran, ABRAM, Anže, BOHINC, Klemen. Influence of polyelectrolyte multilayer properties on bacterial adhesion capacity. Polymers, 206, vol. 8, no. 0, str [COBISS.SI-ID ] 47 ERZNOŽNIK, Hana, RAZBORŠEK, Tina, KLANJŠEK GUNDE, Marta. Characterization of orange pigments in decorative outdoor coatings and their weather fastness. Progress in Organic Coatings, 206, vol. 99, str [COBISS.SI-ID ] 48 MEDIĆ, Mina M., VASIĆ, Marija, ZARU- BICA, Aleksandra R., TRANDAFILOVIĆ, Lidija V., DRAŽIĆ, Goran, DRAMIĆANIN, Miroslav D., NEDELJKOVIĆ, Jovan. Enhanced photoredox chemistry in surface-modified Mg 2 TiO 4 nanopowders with bidentate benzene derivatives. RSC Advances, 206, vol. 6, iss. 97, str [COBISS.SI-ID 60554] 49 SCHOTT, Marco, SZCZERBA, Wojciech, POSSET, Uwe, SURCA, Angelja Kjara, BECK, Matthias, RIESEMEIER, Heinrich, THÜNE- MANN, Andreas F., KURTH, Dirk G. In operando XAFS experiments on flexible electrochromic devices based on Fe(II)-metallo-supramolecular polyelectrolytes and vanadium oxide. Solar Energy Materials and Solar Cells, 206, vol. 47, str [COBISS.SI-ID ]] 50 SUHADOLNIK, Luka, JERMAN, Ivan, KU- JAN, Amadej, ŽAGAR, Kristina, KRIVEC, Matic, ČEH, Miran. Morphological, optical and electrical characterization of titania-nanotubesbased dye-sensitized solar cells. Solar Energy, 206, vol. 27, str [COBISS.SI-ID ] 5 COTOLAN, Nicoleta, RAK, Mitja, BELE, Marjan, CÖR, Andrej, MUREŞAN, Liana Maria, MILOŠEV, Ingrid. Sol-gel synthesis, characterization and properties of TiO 2 and Ag-TiO 2 coatings on titanium substrate. Surface & Coatings Technology, 206, vol. 307, part A, str [COBISS.SI-ID ] 52 ŠTULAR, Danaja, SIMONČIČ, Barbara, JERMAN, Ivan, TOMŠIČ, Brigita. Application of stimuli responsive microgel for creation of smart cotton fabric with antibacterial properties. Tekstilec, 206, letn. 59, št. 2, str [COBISS.SI-ID ] 53 MAVER, Uroš, VELNAR, Tomaž, GABERŠČEK, Miran, PLANINŠEK, Odon, FINŠGAR, Matjaž. Recent progressive use of atomic force microscopy in biomedical applications. TrAC, Trends in Analytical Chemistry, 206, vol. 80, str [COBISS.SI-ID ] V celoti objavljeni članki (strokovni) / Full Text Articles 54 DOMINKO, Robert. Lithium-sulphur batteries. Pan European Networks, Science & Technology, 206, iss. 8, str [CO- BISS.SI-ID ] V celoti objavljeni članki (poljudni) / Full Text Articles 55 ROJAC, Tadej, BENČAN, Andreja, DRAŽIĆ, Goran, URŠIČ, Hana, JANČAR, Boštjan, TAVČAR, Gašper, MAKAROVIČ, Maja, WALKER, Julian, MALIČ, Barbara. Odkrili manjkajoči člen električne prevodnosti. Delo, 8. dec. 206, letn. 58, št. 285, str. 5. [COBISS. SI-ID ] 56 DOMINKO, Robert. Premikanje meja čez obzorja. Volkswagen revija, 206, št. 4, str. 80. [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 57 KAPUN, Gregor, ŠTURM, Sašo, JERMAN, Ivan, MERZEL, Franci, BINYAMIN, Yaniv. A 3D phase analysis method as a tool for the fatigue determination of absorber surfaces. V: 22 nd SolarPACES Conference, - 4 October 206, Abu Dhabi, UAE. Abu Dhabi, 206, str. -0. [COBISS.SI-ID ] 58 BOHINC, Klemen, DEÁK, Ágota, GODIČ TORKAR, Karmen, DRAŽIĆ, Goran, ABRAM, Anže, JANOVÁK, László, DÉKÁNY, Imre. Bacterial adhesion to material surfaces covered by thin films. V: EURADH 206 and Adhesion 6, th European Adhesion Conference and 3 th International Triennial Conference on the Science and Technology of Adhesion and Adhesives, 2-23 September 206, Glasgow, UK. London, IOM Communications, 206, str [COBISS.SI-ID 50789] 59 SLEMENIK PERŠE, Lidija, RODOŠEK, Mirjana, SURCA, Angelja Kjara. Rheological characterization of anticorrosion coatings based on,2-bis(trimethoxysilyl)ethane and trisilanol-heptaisooctyl POSS molecules. V: KÁDÁR, R. (ur.). The Nordic Rheology Conference, Helsinki, Finland, May 30 - June, 206, (Annual transactions of the Nordic Rheology Society, Vol. 24, (206)). Brabrand, Nordic Rheology Society, 206, str [COBISS.SI- ID ] 60 BASIC, N., PENTTINEN, Niko, URBAS, Raša, KLANJŠEK GUNDE, Marta. Measuring gonioapparent samples using a bidirectional spectrometer; an srgb visualization. V: Proceedings of the 4 th CIE Expert Symposium on Colour and Visual Appearance, 6-7 September 206, Prague, Czech Republic. Prague, 206, str [COBISS.SI-ID ] 88 Letno poročilo 206 _ Annual Report 89

96 6 VASILJEVIĆ, Jelena, TOMŠIČ, Brigita, ZORKO, Milena, MOZETIČ, Miran, JERMAN, Ivan, MEDVED, Jože, OREL, Boris, SIMONČIČ, Barbara. Towards the fabrication of green flame retardant cotton by the sol-gel processing of hybrid precursors. V: SIMONČIČ, Barbara (ur.), TOMŠIČ, Brigita (ur.), GORJANC, Marija (ur.). Proceedings, 6 th World Textile Conference AUTEX 206, 8-0 June 206, Ljubljana, Slovenia. Ljubljana, Faculty of Natural Sciences and Engineering, Department of Textiles, Graphic Arts and Design, 206. [COBISS. SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 62 BOHINC, Klemen, JEVŠNIK, Mojca, FINK, Rok, DRAŽIĆ, Goran, RASPOR, Peter. Surface characteristics dictate microbial adhesion ability. V: PROKOPOVICH, Polina (ur.). Biological and pharmaceutical applications of nanomaterials. Boca Raton, CRC Press, Taylor & Francis, 206, str [COBISS.SI-ID ] 63 TRAMPUŽ OREL, Neva, HEATH, David John, OREL, Boris. Kemijska sestava bronastih predmetov iz depoja v Mušji jami pri Škocjanu (Chemical composition of bronze objects in the hoard from Mušja jama near Škocjan). V: TERŽAN, Biba, et al. Depo iz Mušje jame pri Škocjanu na Krasu, depojske najdbe bronaste in železne dobe na Slovenskem III (Il ripostiglio della Grotta delle Mosche presso San Canziano del Carso, ripostigli delle età del bronzo e del ferro in Slovenia III), Ljubljana, Narodni muzej Slovenije, 206, str [COBISS. SI-ID ] 64 SURCA, Angelja Kjara, OREL, Boris, DRAŽIĆ, Goran, COLOMBAN, Philippe. Vibrational spectroscopy and analytical electron microscopy studies of Fe-V-O and In-V-O thin films. V: HOFMANN, Heinrich (ur.). Nanostructured Materials. Wien, New York, Springer, 2002, str [COBISS.SI-ID ] 65 ROGELJ, Nina, KLANJŠEK GUNDE, Marta. Goniospectrometric space curve for coatings with special effect pigments: erratum. Applied Optics, 206, vol. 55, iss. 4, str [COBISS.SI-ID 59578] Doktorati, magisteriji, diplome / Ph.D., M.Sc. and B.Sc. Theses 66 JOVANOVIČ, Primož. Elektrokemijska karakterizacija in korozija platinskih katalizatorjev za gorivne celice, doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 67 RODOŠEK, Mirjana. In situ in ex situ pristopi v raziskavah protikorozijskih prevlek, doktorska disertacija. Ljubljana, 206. [COBISS. SI-ID ] 68 STRAUSS, Florian Alexander. Insertion cathode materials based on borate compounds (Insercijski katodni materiali na osnovi boratnih spojin), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 69 BITENC, Jan. Materials for magnesium batteries (Materiali za magnezijeve akumulatorje), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 70 VIŽINTIN, Alen. Surface modified materials for lithium sulphur batteries (Modificirane površine materialov za litij žveplove akumulatorje), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 7 ZORKO, Milena. Uporaba delcev silicijevega dioksida za oplemenitenje tekstilij in baterij, doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 72 KOPAČ LAUTAR, Anja. Dotik v kiparstvu in v družbi, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] Patenti in patentne prijave / Patents and Patent Applications 73 KOŽELJ, Matjaž, OREL, Boris, STEIN- BÜCHER, Miha, JERMAN, Ivan, VODLAN, Marjanca, PEROS, Dimitrios. Coil-coated spectrally selective coatings on copper or aluminum with pigments modified by aminosilane, patent EP (B), München, World Intellectual Property Organization, International Bureau, 206. [COBISS.SI-ID ] 74 ZORKO, Milena, SIMONČIČ, Barbara, VASILJEVIĆ, Jelena, TOMŠIČ, Brigita, JER- MAN, Ivan, GABERŠČEK, Miran. Postopek za pripravo samočistilnih pralno obstojnih bombažnih tekstilij, patent št. SI A. Ljubljana, Urad RS za intelektualno lastnino, 206. [COBISS.SI-ID ] 75 BRUS, Dino, ŠVEGL, Franc, CRNJAK OREL, Zorica. Process for the preparation of functionalized zinc oxide nanoparticulate powders, patent WO (A), Alexandria, United States Patent and Trademark Office, 206. [COBISS.SI-ID ] 76 JERMAN, Ivan, MIHELČIČ, Mohor, KOŽELJ, Matjaž, OREL, Boris. Sol-gel based spectrally selective solar absorber coatings and the process for producing said coatings, patent EP (B), München, EPO, 206. [COBISS.SI-ID ] 77 BELE, Marjan, DOMINKO, Robert, PIVKO, Maja, GABERŠČEK, Miran. A two-step synthesis method for the preparation of composites of insertion active compounds for lithium-ion batteries, patent EP26937 (B), Hague, European Patent Office, 206. [COBISS. SI-ID ] Uredništva / Editorships 78 Acta Chimica Slovenica. Dominko, Robert (gostujoči urednik 206). Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), ISSN [COBISS.SI- ID ] 79 ChemistrySelect. Gaberšček, Miran (član uredniškega odbora 206-). Weinheim, Wiley - VCH, ISSN [COBISS.SI-ID ] 80 ISRN Nanotechnology. Crnjak Orel, Zorica (članica uredniškega odbora 202-). Cairo, Hindawi Publishing Corporation. ISSN [COBISS.SI-ID ] 8 Nanomaterials and Nanotechnology. Dražić, Goran (član uredniškega odbora 206- ). Rijeka, Intech, 20-. ISSN [CO- BISS.SI-ID ] 82 Veterinarski glasnik. Juntes, Polona (član uredniškega sveta 206-). Beograd, Veterinarski fakultet, ISSN [COBISS. SI-ID ] 83 World Journal of Engineering. Crnjak Orel, Zorica (članica uredniškega odbora ). Toronto, Sun Light Publishing Canada. ISSN [COBISS.SI-ID ] Intervjuji in mediji / Interviews and Media 84 DOMINKO, Robert (intervjuvanec). Smiselno je raziskovanje materialov, ki pri pridobivanju ne zahtevajo veliko energije, dr. Robert Dominko. Gea, 206, let. 26, str [COBISS.SI-ID ] 85 KONČAR, Boštjan (intervjuvanec), DOMINKO, Robert (intervjuvanec), LIKOZAR, Blaž (intervjuvanec), UDE, Aleš (intervjuvanec), BABIČ, Jan (intervjuvanec), MLADENIĆ, Dunja (intervjuvanec), MEKJAVIĆ, Igor B. (intervjuvanec), LUŠTREK, Mitja (intervjuvanec), KORAŽIJA, Nataša (oseba, ki intervjuva). Spoznajte raziskovalce, ki pobirajo evropske milijone. Manager, 206, št. 4, str [CO- BISS.SI-ID ] 90 Letno poročilo 206 _ Annual Report 9

97 86 KAMATH, Haresh (intervjuvanec), DOMINKO, Robert (intervjuvanec). Bo elektrika poganjala tudi potniška letala? Morda pa res, sodelovanje v oddaji Frekvenca X na Radiu Slovenija, Val 202, [COBISS.SI-ID ] 87 PEČJAK, Andrej (intervjuvanec), KOSEL, Tadej (intervjuvanec), BRADLEY, Marty (intervjuvanec), TOMAŽIČ, Tine (intervjuvanec), DOMINKO, Robert, TCHERNYCHOVA, Elena (intervjuvanec), DRVARIČ TALIAN, Sara (intervjuvanec). Električna letala, intervju v oddaji Ugriznimo znanost, [COBISS.SI-ID ] 88 PIRNAT, Klemen (intervjuvanec). Električna mobilnost, sodelovanje v oddaji Elektroutrinki, TV Slovenija, [COBISS. SI-ID ] 89 KLANJŠEK GUNDE, Marta (intervjuvanec), OPARA KRAŠOVEC, Urša (intervjuvanec). Lari fari znanstveni safari, intervju na Radiu Študent, [COBISS.SI-ID ] 90 DOMINKO, Robert (intervjuvanec). Odkrili baterije tudi s pol večjo zmogljivostjo, sodelovanje v oddaji na Radiu Slovenija, Val 202, [COBISS.SI-ID ] 9 DOMINKO, Robert (intervjuvanec). Odpoklic Samsunovega telefona, sodelovanje v oddaji Odmevi, RTV SLO, [COBISS. SI-ID ] 92 KLANJŠEK GUNDE, Marta, OPARA KRAŠOVEC, Urša. Javna sredstva za znanost - vse po starem? Delo, 25. jan. 206, leto 58, št. 20, str. 5. [COBISS.SI-ID ] Mentorstva / Mentorship 93 RODOŠEK, Mirjana, ŠURCA, Angelja Kjara (mentorica), CERC KOROŠEC, Romana (somentorica). In situ in ex situ pristopi v raziskavah protikorozijskih prevlek, doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 94 ZORKO, Milena, GABERŠČEK, Miran (mentor), JERMAN, Ivan (somentor). Uporaba delcev silicijevega dioksida za oplemenitenje tekstilij in baterij, doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 95 JOVANOVIČ, Primož, GABERŠČEK, Miran (mentor). Elektrokemijska karakterizacija in korozija platinskih katalizatorjev za gorivne celice, doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 96 STRAUSS, Florian Alexander, DOMINKO, Robert (mentor), TARASCON, Jean-Marie (mentor), PEJOVNIK, Stanislav (somentor). Insertion cathode materials based on borate compounds (Insercijski katodni materiali na osnovi boratnih spojin), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 97 BITENC, Jan, DOMINKO, Robert (mentor), MEDEN, Anton (somentor). Materials for magnesium batteries (Materiali za magnezijeve akumulatorje), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 98 VIŽINTIN, Alen, DOMINKO, Robert (mentor), PEJOVNIK, Stanislav (somentor). Surface modified materials for lithium sulphur batteries (Modificirane površine materialov za litij žveplove akumulatorje), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 99 ROZMAN, Nejc, SEVER ŠKAPIN, Andrijana (mentorica), GABERŠČEK, Miran (somentor). Razvoj nanodimenzioniranega TiO 2, fotokatalitsko aktivnega v vidni svetlobi (Development of visible light active nanodimensional TiO 2 ), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 00 PORI, Pavel, PETRIČ, Marko (mentor), OREL, Boris (somentor). Zaščita lesa pred sevanjem UV s premaznimi sistemi z nanodelci (Protection of wood against UV radiation with nano-coatings), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 0 BIZJAK, Aleš, OREL, Boris (mentor). Zračni sončni sprejemnik toplote - njihov razvoj in izdelava (Development, fabrication and properties of Solar Air Thermal (SAT) collectors), magistrsko delo. Ljubljana, 206. [CO- BISS.SI-ID 29967] 02 JOZINOVIĆ, Barbara, GABERŠČEK, Miran (mentor). Degradacija katalizatorjev RuO 2 in IrO 2 z uporabo metode identične lokacije IL-SEM, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 03 ZORMAN, Dominika, GABERŠČEK, Miran (mentor). Analiza UV-sušečih lepil za uporabo v zaščitnih tiskovinah, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 04 FIRM, Marko, GABERŠČEK, Miran (mentor). Magnezijeve elektrode za uporabo v sekundarnih baterijah, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 05 ŠTIRN, Simona, GENORIO, Boštjan (mentor), JERMAN, Ivan (somentor). Baterije: e-učna enota (Batteries: an e-learning unit), diplomsko delo. Ljubljana, 206. [COBISS.SI- ID 36469] 06 MURN, Aleš, KLOBČAR, Damjan (mentor), KLANJŠEK GUNDE, Marta (somentorica). Analiza lasersko kreiranih barvnih oznak na površini titana, diplomska naloga. Ljubljana, 206. [COBISS.SI-ID ] 07 VANDERMEULEN, Viktor, KLOBČAR, Damjan (mentor), KLANJŠEK GUNDE, Marta (somentorica). Analysis of laser colour markings on surfaces of different materials (Analiza lasersko kreiranih barvnih oznak na različnih kovinah), diplomska naloga. Ljubljana, 206. [COBISS.SI-ID ] 08 MILOŠEVIČ, Petra, TOMŠIČ, Brigita (mentorica), JERMAN, Ivan (somentor). Vpliv hrapavosti površine na vodoodbojne lastnosti bombažne in poliestrske tkanine (Influence of surface roughness on water-repellent properties of cotton and plyester fabric), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] D Odsek za molekularno biologijo in nanobiotehnologijo / Department of Molecular Biology and Nanobiotechnology V celoti objavljeni članki (znanstveni) / Full Text Articles PODLESEK, Zdravko, BUTALA, Matej, ŠAKANOVIĆ, Aleksandra, ŽGUR-BERTOK, Darja. Antibiotic induced bacterial lysis provides a reservoir of persisters. Antonie van Leeuwenhoek, 206, vol. 09, iss. 4, str [COBISS.SI-ID ] 2 SKOČAJ, Matej, YU, Yang, GRUNDNER, Maja, RESNIK, Nataša, BEDINA ZAVEC, Apolonija, LEONARDI, Adrijana, KRIŽAJ, Igor, GUELLA, Graziano, MAČEK, Peter, ERDANI- KREFT, Mateja, FRANGEŽ, Robert, VERANIČ, Peter, SEPČIĆ, Kristina. Characterisation of plasmalemmal shedding of vesicles induced by the cholesterol/ sphingomyelin binding protein, ostreolysin A-mCherry. Biochimica et Biophysica acta, Biomembranes, 206, vol. 858, Issue, str [COBISS.SI-ID 3975] 3 WACKLIN, Hanna P., BAKRAČ, Biserka, MOULIN, Martina, ROJKO, Nejc, HAERTLE- IN, Michael, FORSYTH, Trevor, ANDERLUH, Gregor, NORTON, Raymond S. Neutron reflection study of the interaction of the eukaryotic pore-forming actinoporin equinatoxin II with lipid membranes reveals intermediate states in pore formation. Biochimica et Biophysica 92 Letno poročilo 206 _ Annual Report 93

98 Acta, Biomembranes, 206, vol. 858, iss. 4, str [COBISS.SI-ID ] 4 BEDINA ZAVEC, Apolonija, KRALJ-IGLIČ, Veronika, BRINC, Matjaž, FICKO TRČEK, Tanja, KUZMAN, Drago, SCHWEIGER, Ana, ANDER- LUH, Gregor. Extracellular vesicles concentration is a promising and important parameter for industrial bioprocess monitoring. Biotechnology Journal, 206, vol., iss. 5, str [COBISS.SI-ID ] 5 FÜRTGES, Leon, CONRADT, David, SCHÄT- ZLE, Michael A., SINGH, Shailesh Kumar, KRAŠEVEC, Nada, LANIŠNIK-RIŽNER, Tea, MÜLLER, Michael, HUSAIN, Syed Masood. Phylogenetic studies, gene cluster analysis, and enzymatic reaction support anthrahydroquinone reduction as the physiological function of fungal 7b-hydroxysteroid dehydrogenase. ChemBioChem, 206, vol. 7, str. -5. [COBISS.SI-ID ] 6 PIRC, Katja, HODNIK, Vesna, POKLAR UL- RIH, Nataša, ANDERLUH, Gregor. Interaction of α-synuclein with negatively charged lipid membranes monitored by surface plasmon resonance. Croatica Chemica Acta, 206, vol. 89, no. 2, str [COBISS.SI-ID ] 7 FLAŠKER, Ajda, KULKARNI, Mukta Vishwanath, MRAK POLJŠAK, Katjuša, JUNKAR, Ita, ČUČNIK, Saša, ŽIGON, Polona, MAZARE, Anca, SCHMUKI, Patrik, IGLIČ, Aleš, SODIN-ŠEMRL, Snežna. Binding of human coronary artery endothelial cells to plasma-treated titanium dioxide nanotubes of different diameters. Journal of Biomedical Materials Research. Part A, 206, vol. 04, no. 5, str [COBISS. SI-ID ] 8 PREVC, Ajda, BEDINA ZAVEC, Apolonija, ČEMAŽAR, Maja, KLOBOVES-PREVODNIK, Veronika, ŠTIMAC, Monika, TODOROVIĆ, Vesna, STROJAN, Primož, SERŠA, Gregor. Bystander effect induced by electroporation is possibly mediated by microvesicles and dependent on pulse amplitude, repetition frequency and cell type. The Journal of Membrane Biology, 206, vol. 249, iss. 5, str [COBISS.SI-ID ] 9 PODOBNIK, Marjetka, SAVORY, Peter, RO- JKO, Nejc, KISOVEC, Matic, WOOD, Neil, HAM- BLEY, Richard, PUGH, Jonathan, WALLACE, E. Jayne, MCNEILL, Luke, BRUCE, Mark, LIKO, Idlir, ALLISON, Timothy M., MEHMOOD, Shahid, YILMAZ, Neval, KOBAYASHI, Toshihide, GILBERT, Robert J., ROBINSON, Carol V., JAYASINGHE, Lakmal, ANDERLUH, Gregor. Crystal structure of an invertebrate cytolysin pore reveals unique properties and mechanism of assembly. Nature Communications, 206, vol. 7, str. -0. [COBISS.SI-ID ] 0 OBRADOVIĆ, Davor, GAŠPERŠIČ, Rok, CASERMAN, Simon, LEONARDI, Adrijana, JAMNIK, Maja, PODLESEK, Zdravko, SEME, Katja, ANDERLUH, Gregor, KRIŽAJ, Igor, MAČEK, Peter, BUTALA, Matej. A cytolethal distending toxin variant from Aggregatibacter actinomycetemcomitans with an aberrant CdtB that lacks the conserved catalytic histidine 60. PloS one, 206, vol., iss. 7, str. -6. [COBISS.SI-ID ] ZADRAVEC, Petra, MAREČKOVÁ, Lucie, PETROKOVÁ, Hana, HODNIK, Vesna, PERIŠIĆ, Milica, ANDERLUH, Gregor, ŠTRUKELJ, Borut, MALÝ, Petr, BERLEC, Aleš. Development of recombinant Lactococcus lactis displaying albumin-binding domain variants against Shiga toxin B subunit. PloS one, 206, vol., no. 9, str [COBISS.SI-ID ] 2 RUAN, Yi, REZELJ, Saša, BEDINA ZAVEC, Apolonija, ANDERLUH, Gregor, SCHEURING, Simon. Listeriolysin O membrane damaging activity involves arc formation and lineaction -- implication for Listeria monocytogenes escape from phagocytic vacuole. PLOS pathogens, 206, vol. 2, no. 4, str. -8. [COBISS. SI-ID ] 3 HEGGELUND, Julie Elisabeth, BUR- SCHOWSKY, Daniel, BJØRNESTAD, Victoria Ariel, HODNIK, Vesna, ANDERLUH, Gregor, KRENGEL, Ute. High-resolution crystal structures elucidate the molecular basis of cholera blood group dependence. PLOS pathogens, 206, vol. 2, no. 4, str. -9. [COBISS.SI-ID ] 4 FAIS, Stefano, O DRISCOLL, Lorraine, BORRÀS, Francesc E., BUZAS, Edit I., CAMUS- SI, Giovanni, CAPPELLO, Francesco, CARVAL- HO, Joana, SILVA, Anabela Cordeiro da, POR- TILLO, Hernando del, EL ANDALOUSSI, Samir, FICKO TRČEK, Tanja, KRALJ-IGLIČ, Veronika, BEDINA ZAVEC, Apolonija, et al. Evidencebased clinical use of nanoscale extracellular vesicles in nanomedicine. ACS Nano, 206, vol. 0, iss. 4, str [COBISS.SI-ID ] 5 PODOBNIK, Marjetka, KRAŠEVEC, Nada, BEDINA ZAVEC, Apolonija, NANEH, Omar, FLAŠKER, Ajda, CASERMAN, Simon, HOD- NIK, Vesna, ANDERLUH, Gregor. How to study protein-protein interactions. Acta Chimica Slovenica, 206, vol. 63, no. 3, str [CO- BISS.SI-ID ] 6 ROJKO, Nejc, DALLA SERRA, Mauro, MAČEK, Peter, ANDERLUH, Gregor. Pore formation by actinoporins, cytolysins from sea anemones. Biochimica et Biophysica Acta, Biomembranes, 206, vol. 858, no. 3, str [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 7 GRUNDNER, Maja, ZEMLJIČ JOKHADAR, Špela, HODNIK, Vesna, VEZOČNIK, Valerija, SKOČAJ, Matej, DERGANC, Jure, MAČEK, Peter, SEPČIĆ, Kristina. Binding properties of fluorescent fusion protein ostreolysin A to artificial lipid systems. V: RAMUNDO-ORLANDO, Alfonsina (ur.). Cell Model Systems Summer School, Eight Edition, June 20 th -24 th 206, Rome, Italy. Roma, CNR, 206, str [CO- BISS.SI-ID 4059] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 8 KRAŠEVEC, Nada, BENČINA, Mojca. Fungi gene expression systems: applications and advancements. V: SCHMOLL, Monika (ur.). Gene expression systems in fungi: advancements and applications, (Fungal biology). Cham, Springer, 206, str [COBISS. SI-ID ] 9 BEDINA ZAVEC, Apolonija, COTMAN, Magda, KRAŠEVEC, Nada, ŠAKANOVIĆ, Aleksandra, TOMŠIČ, Tea, LENARČIČ, Jelka, DEČKO, Urška, KISOVEC, Matic, HUSIĆ, Muharem, TKALEC, Kristjan, PODOBNIK, Marjetka, PINTAR, Albin, ANDERLUH, Gregor. Poletne delavnice na Kemijskem inštitutu. Ljubljana, Kemijski inštitut, 206. [COBISS.SI-ID ] Doktorati, magisteriji, diplome / Ph.D., M.Sc. and B.Sc. Theses 20 NANEH, Omar. Biofizikalno-kemijske lastnosti človeškega rekombinatnega perforina in njegove interakcije z lipidnimi membranami, doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 2 CAJNKO, Miša Mojca. Molekularni in fiziološki odzivi Caco-2 celičnega enosloja na listeriolizin 0 in ekvinatoksin II (Molecular and physiological responses of Caco-2 cell monolayer to listeriolysin 0 and equinatoxin II), doktorska disertacija. Ljubljana, 206. [COBISS. SI-ID ] 22 NOVAK, Maruša. Biološka vloga ter lastnosti egerolizinov in proteinov z domeno MACPF v nitasti glivi Aspergillus niger (Biological role and characterisation of aegerolysins and proteins with MACPF domain in filamentous fungus Aspergillus niger), doktorska 94 Letno poročilo 206 _ Annual Report 95

99 disertacija. Ljubljana, 206. [COBISS.SI-ID ] Patenti in patentne prijave / Patents and Patent Applications 23 ANDERLUH, Gregor, PODOBNIK, Marjetka, LENARČIČ, Tea, HODNIK, Vesna, GOBEC, Stanislav, BRUS, Boris, SOSIČ, Izidor, NÜRN- BERGER, Thorsten, ALBERT, Isabell, BÖHM, Hannah. Inhibitors of NLP proteins as phytopharmaceuticals for plant pathogen control, patentna prijava EP , München, World Intellectual Property Organization, International Bureau, 206. [COBISS. SI-ID ] 24 ANDERLUH, Gregor, PODOBNIK, Marjetka, REZELJ, Saša, KISOVEC, Matic, CA- JNKO, Miša Mojca. Od ph odvisen protein listeriolizina O, patent SI (A), Ljubljana, Urad RS za intelektualno lastnino, 206. [COBISS.SI-ID ] Uredništva / Editorships 25 Analytical Biochemistry. Anderluh, Gregor (član uredniškega odbora 2007-). New York, Academic Press. ISSN [CO- BISS.SI-ID ] 26 Biochimica et Biophysica Acta. Biomembranes. Anderluh, Gregor (član uredniškega odbora 205-). Amsterdam, Elsevier. ISSN [COBISS.SI-ID 40770] 27 Informatica Medica Slovenica. Anderluh, Gregor (član uredniškega odbora 2005-). Maribor, Zdravstveni dom dr. Adolfa Drolca, ISSN [COBISS.SI-ID ] 28 Kvarkadabra. Anderluh, Gregor (urednik 2005-). Ljubljana, Kvarkadabra, ISSN [COBISS.SI-ID ] 29 Scientific Reports. Anderluh, Gregor (član uredniškega odbora 206-). London, Nature Publishing Group, 20-. ISSN [COBISS.SI-ID ] 30 Scientifica (Hindawi). Anderluh, Gregor (član uredniškega odbora 202-). Cairo, Hindawi Publishing Corporation, ISSN X. [COBISS.SI-ID ] 3 KRAŠEVEC, Nada (urednik), ANDERLUH, Gregor (urednik). Advances in molecular interaction analysis, Mini simpozij 206. Ljubljana, Department of Molecular Biology and Nanobiotechnology D, National Institute of Chemistry, 206. ISBN [COBISS. SI-ID ] 32 ZUPAN, Jure (urednik), ANDER- LUH, Gregor (urednik), ANDRENŠEK, Samo (uredniški odbor), DROLC, Andreja (uredniški odbor), GOLIČ GRDADOLNIK Simona (uredniški odbor), GRAH, Lilijana (uredniški odbor), KAUČIČ, Slavko, (uredniški odbor), OG- OREVC, Božidar (uredniški odbor), PIRC, Brigita (uredniški odbor), STARE, Jernej (uredniški odbor). Širimo meje znanosti. Ljubljana, Kemijski inštitut, 206, ISBN [COBISS.SI-ID ] Intervjuji in mediji / Interviews and Media 33 ANDERLUH, Gregor (intervjuvanec). Včasih je potrebna tudi sreča, da odkritje sovpada s trenutkom, ko je zadeva vroča. Delo, 20. feb. 206, leto 58, št. 42. [COBISS.SI-ID ] 34 ANDERLUH, Gregor (intervjuvanec). Podjetja so nas odkrila zaradi znanstvenih rezultatov. Embalaža, okolje, logistika, 206, 06, str [COBISS.SI-ID ] 35 ANDERLUH, Gregor (intervjuvanec). Želimo si biti čim bolj vpeti v svetovno znanost. Slovenska tiskovna agencija, 206. [COBISS. SI-ID ] 36 ANDERLUH, Gregor (intervjuvanec), ZUPAN, Jure (intervjuvanec). 70 letnica Kemijskega inštituta, oddaja Pogled v znanost, Radio Slovenija 3, [COBISS.SI-ID ] 37 HORVAT, Ksenija (oseba, ki intervjuva), ANDERLUH, Gregor (intervjuvanec). Gregor Anderluh, intervju na TV Slovenija, Ljubljana, Radiotelevizija Slovenija javni zavod, 206. [COBISS.SI-ID ] 38 HODNIK, Nejc (intervjuvanec), ANDER- LUH, Gregor (intervjuvanec), GYÖRKÖS, József (intervjuvanec), BOH, Tomaž (intervjuvanec), NANUT, Tara (intervjuvanec). O mladih raziskovalcih, oddaja Odkrito, TV Slovenija 3, [COBISS.SI-ID ] 39 ANDERLUH, Gregor (intervjuvanec). Velike skrivnosti malih deževnikov, intervju na Radiu Slovenija, Prvi program, [COBISS.SI-ID ] 40 ANDERLUH, Gregor (intervjuvanec). V znanosti moramo izpostavljati le tisto, kar je najboljše, sodelovanje v oddaji na Radiu Slovenija, Val 202, [COBISS.SI-ID ] 4 KOBAL, Edvard, LAH TURNŠEK, Tamara, BAJD, Tadej, LENARČIČ, Jadran, ANDERLUH, Gregor, SVETLIK, Ivan. Tri desetletja priloge Znanost. Delo, 29. sep. 206, leto 58, št. 227, str. 3. [COBISS.SI-ID ] 42 BAJD, Tadej, KOBAL, Edvard, LENARČIČ, Jadran, ANDERLUH, Gregor, LAH TURNŠEK, Tamara, SVETLIK, Ivan. Znanost so ljudje in zanimive zgodbe. Delo, 29. sep. 206, leto 58, št. 227, str. 4. [COBISS.SI-ID ] Mentorstva / Mentorship 43 CAJNKO, Miša Mojca, ANDERLUH, Gregor (mentor). Molekularni in fiziološki odzivi Caco-2 celičnega enosloja na listeriolizin 0 in ekvinatoksin II (Molecular and physiological responses of Caco-2 cell monolayer to listeriolysin 0 and equinatoxin II), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 44 NOVAK, Maruša, SEPČIĆ, Kristina (mentorica), ANDERLUH, Gregor (somentor). Biološka vloga ter lastnosti egerolizinov in proteinov z domeno MACPF v nitasti glivi Aspergillus niger (Biological role and characterisation of aegerolysins and proteins with MACPF domain in filamentous fungus Aspergillus niger), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 45 NANEH, Omar, ANDERLUH, Gregor (mentor). Biofizikalno-kemijske lastnosti človeškega rekombinatnega perforina in njegove interakcije z lipidnimi membranami, doktorska disertacija. Ljubljana, 206. [CO- BISS.SI-ID ] 46 PRIMEC, Sara, ANDERLUH, Gregor (mentor), PODOBNIK, Marjetka (somentorica). Analiza prisotnosti naravnih mutacij v virulentnih faktorjih LLO, PI-PLC in PC-PLC bakterije Listeria monocytogenes, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 47 BELC, Sabina, ANDERLUH, Gregor (mentor), KRAŠEVEC, Nada (somentorica). Analiza razširjenosti in pridobivanje aktinoporinom ter perforinu podobnih glivnih proteinov (Distribution and production of fungal actinoporin- and perforin-like proteins), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 48 PANEVSKA, Anastasija, PODOBNIK, Marjetka (mentorica), SEPČIĆ, Kristina (somentorica). Interakcije rekombinantnega proteina Cry34Ab z umetnimi in biološkimi membranami (Interactions of the recombinant protein Cry34Ab with artificial and biological membranes), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID 40909] 49 KOLENC, Filip, ANDERLUH, Gregor (mentor), Priprava od ph odvisnega perfringolizina O, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 96 Letno poročilo 206 _ Annual Report 97

100 50 ŠVIGELJ, Tomaž, ANDERLUH, Gregor (mentor), POKLAR ULRIH, Nataša (somentorica). Vpliv od holesterola odvisnih citolizinov na arheosome (The influence of cholesterol dependent cytolysins on archaeosomes), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 5 POTOČNIK, Jasmina, ANDERLUH, Marko (mentor), ANDERLUH, Gregor (somentor). Izolacija sfingolipidov iz kvasovke Saccharomyces cerevisiae in tobaka (Nicotiana tabacum) ter študij njihovih interakcij z nekroza in etileninducirajočim peptidu podobnimi proteini (Isolation of sphingolipids from the yeast Saccharomyces cerevisiae and tobacco (Nicotiana tabacum) and study of their interactions peptide like proteins ), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID 44289] 52 DEBELJAK, Maja, ANDERLUH, Gregor (mentor). Ocena diferenciacije modela črevesnega epitelija na osnovi celic Caco-2 s sledenjem izražanja genov, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 53 DEMIĆ, Rok, ANDERLUH, Gregor (mentor). Priprava orjaških unilamelarnih veziklov iz eritrocitnih membran (Preparation of giant unilamellar vesicles from erythrocyte membranes), diplomsko delo. Ljubljana, 206. [CO- BISS.SI-ID ] 54 GRŽINA, Irena, JERALA, Roman (mentor), ANDERLUH, Gregor (somentor). Strukturna in biofizikalna analiza celico penetrirajočega peptida TP 0 in njegovega dimera, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] D2 Odsek za sintezno biologijo in imunologijo / Department of Synthetic Biology and Immunology V celoti objavljeni članki (znanstveni) / Full Text Articles LEBAR, Tina, JERALA, Roman. Benchmarking of TALE- and CRISPR/dCas9-based transcriptional regulators in mammalian cells for the construction of synthetic genetic circuits. ACS Synthetic Biology, 206, vol. 5, iss. 0, str [COBISS.SI-ID ] 2 JEVŠINEK SKOK, Daša, KUNEJ, Tanja, KOVAČ, Milena, MALOVRH, Špela, POTOČNIK, Klemen, PETRIČ, Nežika, ŽGUR, Silvester, DOVČ, Peter, HORVAT, Simon. FTO gene variants are associated with growth and carcass traits in cattle. Animal Genetics, ISSN , 206, vol. 47, no. 2, str [CO- BISS.SI-ID ] 3 BOŽIČ ABRAM, Sabina, AUPIČ, Jana, DRAŽIĆ, Goran, GRADIŠAR, Helena, JERALA, Roman. Coiled-coil forming peptides for the induction of silver nanoparticles. Biochemical and Biophysical Research Communications, 206, vol. 472, iss. 3, str [COBISS.SI- ID ] 4 KOVAČ, Valerija, HAFNER BRATKOVIČ, Iva, ČURIN-ŠERBEC, Vladka. Anchorless forms of prion protein - Impact of truncation on structure destabilization and prion protein conversion. Biochemical and Biophysical Research Communications, 206, vol. 48, iss. /2, str. -6. [COBISS.SI-ID ] 5 DUŠAK, Peter, BENČINA, Mojca, TURK, Martina, BAVČAR, Dejan, KOŠMERL, Tatjana, BEROVIČ, Marin, MAKOVEC, Darko. Application of magneto-responsive Oenococcus oeni for the malolactic fermentation in wine. Biochemical Engineering Journal, 206, vol. 0, str [COBISS.SI-ID ] 6 BELTRAM, Jasmina, MORTON, Nicholas M., KUNEJ, Tanja, HORVAT, Simon. Construction of an integrative regulatory element and variation map of the murine Tst locus. BMC Genetics, 206, vol. 7, no. 77, str. -3. [CO- BISS.SI-ID ] 7 CIARAMELLI, Carlotta, CALABRESE, Valentina, SESTITO, Stefania E., PÉREZ-REGIDOR, Lucia, KLETT, Javier, OBLAK, Alja, JERALA, Roman, PIAZZA, Matteo, MARTÍN-SANTAMARÍA, Sonsoles, PERI, Francesco. Glycolipid-based TLR4 modulators and fluorescent probes: rational design, synthesis and biological properties. Chemical Biology & Drug Design, 206, vol. 88, iss. 2, str [COBISS.SI-ID 5884] 8 LJUBETIČ, Ajasja, DROBNAK, Igor, GRADIŠAR, Helena, JERALA, Roman. Designing the structure and folding pathway of modular topological bionanostructures. Chemical Communications, 206, vol. 52, iss. 30, str [COBISS.SI-ID ] 9 AUPIČ, Jana, LAPENTA, Fabio, STRMŠEK, Žiga, JERALA, Roman. Towards designing new nano-scale protein architectures. Essays in Biochemistry, 206, vol. 60, iss. 4, str [COBISS.SI-ID ] 0 VAŠL, Jožica, OBLAK, Alja, PETERNELJ, Tina Tinkara, KLETT, Javier, MARTÍN-SANT- AMARÍA, Sonsoles, GIOANNINI, Theresa L., WEISS, Jerrold P., JERALA, Roman. Molecular basis of the functional differences between soluble human versus murine MD-2: role of Val 35 in transfer of lipopolysaccharide from CD4 to MD-2. The Journal of Immunology, 206, vol. 96, no. 5, str [COBISS. SI-ID ] KOČAR, Vid, SCHRECK, John S., ČERU, Slavko, GRADIŠAR, Helena, BAŠIĆ, Nino, PISANSKI, Tomaž, DOYE, Jonathan P. K., JER- ALA, Roman. Design principles for rapid folding of knotted DNA nanostructures. Nature Communications, 206, vol. 7, str. -8. [CO- BISS.SI-ID ] 2 MORTON, Nicholas M., BELTRAM, Jasmina, CARTER, Roderick, MICHAILIDOU, Zoi, GORJANC, Gregor, MCFADDEN, Clare, BARRI- OS-LLERENA, Martin E, RODRIGUEZ-CUENCA, Sergio, GIBBINS, Matthew T G, AIRD, Rhona E, MORENO-NAVARRETE, José Maria, MUNGER, Steven C, SVENSON, Karen L, GASTALDELLO, Annalisa, RAMAGE, Lynne, NAREDO, Gregorio, ZEYDA, Maximilian, WANG, Zhao V, HOWIE, Alexander F, SAARI, Aila, SIPILÄ, Petra, STULNIG, Thomas M, GUDNASON, Vilmundur, KENYON, Christopher J., SECKL, Jonathan R., WALKER, Brian R., WEBSTER, Scott P, DUNBAR, Donald R., CHURCHILL, Gary A, VIDAL-PUIG, Antonio, FERNANDEZ-REAL, José Manuel, EMILSSON, Valur, HORVAT, Simon. Genetic identification of thiosulfate sulfurtransferase as an adipocyteexpressed antidiabetic target in mice selected for leanness. Nature Medicine, 206, vol. 22, no. 7, str [COBISS.SI-ID ] 3 LONZARIĆ, Jan, LEBAR, Tina, MAJERLE, Andreja, MANČEK KEBER, Mateja, JERALA, Roman. Locked and proteolysis-based transcription activator-like effector (TALE) regulation. Nucleic Acids Research, 206, vol. 44, iss. 3, str [COBISS.SI-ID ] 4 FORSTNERIČ, Vida, IVIČAK-KOCJAN, Karolina, LJUBETIČ, Ajasja, JERALA, Roman, BENČINA, Mojca. Distinctive recognition of flagellin by human and mouse toll-like receptor 5. PloS one, 206, vol., iss. 7, e e [COBISS.SI-ID ] 5 ZORMAN, Jernej, SUŠJAN, Petra, HAF- NER BRATKOVIČ, Iva. Shikonin suppresses NLRP3 and AIM2 inflammasomes by direct inhibition of caspase-. PloS one, 206, vol., iss. 7, str. e e [COBISS. SI-ID ] 98 Letno poročilo 206 _ Annual Report 99

101 V celoti objavljeni članki (strokovni) / Full Text Articles 6 HORVAT, Simon. Identifikacija gena za vitkost in diabetes tipa 2. Pharmonia, 206, št. 8, str. 5. [COBISS.SI-ID 38352] V celoti objavljeni članki (poljudni) / Full Text Articles 7 JERALA, Roman. Molekulski vozli: izum priprave hitrega spontanega zvitja molekulskih nanostruktur. Ventil, 206, letn. 22, št., str. 28. [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 8 PRŠLJA, Paulina, URBIČ, Tomaž, AUPIČ, Jana. Termodinamične in strukturne lastnosti asimetričnih dvodimenzionalnih elektrolitov (Thermodynamic and structural properties of asymmetric two-dimensional electrolytes). V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS.SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 9 KRAŠEVEC, Nada, BENČINA, Mojca. Fungi gene expression systems: applications and advancements. V: SCHMOLL, Monika (ur.). Gene Expression Systems in Fungi: Advancements and Applications (Fungal Biology). Cham, Springer, 206, str [COBISS. SI-ID ] 20 DROBNAK, Igor, LJUBETIČ, Ajasja, GRADIŠAR, Helena, PISANSKI, Tomaž, JER- ALA, Roman. Designed protein origami. V: CORTAJARENA, Aitziber L. (ur.). Proteinbased Engineered Nanostructures (Advances in Experimental Medicine and Biology). Cham, Springer, 206, str [COBISS.SI-ID ] 2 DEBELJAK, Nataša (avtor, urednik), HOR- VAT, Simon, JUVAN, Peter, KOŠIR, Rok, KUNEJ, Tanja, PETROVIČ, Uroš, REŽEN, Tadeja (avtor, urednik), ROZMAN, Damjana, AČIMOVIČ, Jure (urednik). Funkcijska genomika: praktikum. 2. izd. Ljubljana, Medicinska fakulteta, 206. [COBISS.SI-ID ] 22 LEGIŠA, Matic. Mikrobiologija. Kozmetika,. stopnja - gradivo za predavanja. Ljubljana, Vist, 206. [COBISS.SI-ID ] Doktorati, magisteriji, diplome / Ph.D., M.Sc. and B.Sc. Theses 23 BOŽIČ ABRAM, Sabina. Samosestavljive nanostrukture iz polipeptidov, ki tvorijo obvite vijačnice (Self-assembling nanostructures from coiled-coil forming polypeptides), doktorska disertacija. Ljubljana, 206. [COBISS. SI-ID ] 24 LONZARIĆ, Jan. Priprava umetnih zaklenjenih proteinskih regulatorjev prepisovanja genov (Design of locked modular transcriptional regulators), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 25 PLAPER, Tjaša. Stimulacija inflamasoma NAIP/NLRC4 s flagelinom divjega tipa ter flagelinskimi mutantami (Stimulation of inflamasomme NAIP/NLRC4 with wild type flagellin and flagellin mutants), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 26 LEBEN, Katja. Vpliv povezave ligandov Toll-u podobnih receptorjev na aktivacijo imunskega sistema, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 27 BREMŠAK, Robert. Izolacija rekombinantnega flagelina, diplomsko delo. Maribor, 206. [COBISS.SI-ID ] Patenti in patentne prijave / Patents and Patent Applications 28 JERALA, Roman, BENČINA, Mojca, MEŠKO, Maja, LEBAR, Tina, LONZARIĆ, Jan, FINK, Tina, STRMŠEK, Žiga, LAPENTA, Fabio, PLAPER, Tjaša, LEBEN, Katja, CEROVIĆ, Kosta, MERLJAK, Estera, FRANKO, Nik, KRESE, Rok, GRADIŠEK, Miha, PRAZNIK, Arne, JERA- LA, Nina, MAGDEVSKA, Lidija, ROŠKAR, Samo, PUŠNIK, Žiga. Kombinacija razcepljenih ortogonalnih proteaz z dimerizacijskimi domenami, ki omogočajo sestavljanje, patentna prijava P , Ljubljana, 206. [COBISS.SI-ID ] 29 LEBAR, Tina, JERALA, Roman. Method for prevention and/or disruption of binding of a target DNA-binding protein to its DNA target sequence, patentna prijava P , Ljubljana, 206. [COBISS.SI-ID ] 30 JERALA, Roman, BENČINA, Mojca, MEŠKO, Maja, LEBAR, Tina, LONZARIĆ, Jan, FINK, Tina, STRMŠEK, Žiga, LAPENTA, Fabio, PLAPER, Tjaša, LEBEN, Katja, CEROVIĆ, Kosta, MERLJAK, Estera, FRANKO, Nik, KRESE, Rok, GRADIŠEK, Miha, PRAZNIK, Arne, JER- ALA, Nina, MAGDEVSKA, Lidija, ROŠKAR, Samo, PUŠNIK, Žiga. Metoda za povečanje občutljivosti celic na ultrazvok in mehanske stimuluse, ki vključuje plinske mehurčke in celice, ki imajo povečano občutljivost mehanosenzorjev, patentna prijava P , Ljubljana, Urad RS za intelektualno lastnino, 206. [COBISS.SI-ID 60294] 3 LEGIŠA, Matic, DRAGAN, Marko, AN- DREJC, Darjan, DOLINAR, Klemen, MOŽIR, Alenka. Modified 6-phosphofructo--kinase enabling recombinant yeast cells Saccharomyces cerevisiae the fermentative use of pentose sugars, patent SI24955 (A), Ljubljana, 206. [COBISS.SI-ID ] Uredništva / Editorships 32 ACS Synthetic Biology. Jerala, Roman (član uredniškega odbora 202-). Washington, D.C., American Chemical Society. ISSN [COBISS.SI-ID ] 33 Innate Immunity. Jerala, Roman (član uredniškega odbora 205-). London, Sage, ISSN [COBISS.SI-ID ] 34 The Journal of Biological Chemistry. Jerala, Roman (član uredniškega odbora 205-). Baltimore, American Society of Biological Chemists. ISSN [COBISS.SI-ID ] Intervjuji in mediji / Interviews and Media 35 HORVAT, Simon. Gen za vitkost. Ljubljana, TEDx, 206. [COBISS.SI-ID ] 36 JERALA, Roman (intervjuvanec), KOMEL, Radovan (intervjuvanec), LOVREČIĆ, Luca (intervjuvanec), ČEMAŽAR, Maja (intervjuvanec), SERŠA, Gregor (intervjuvanec), JELEN, Nejc (oseba, ki intervjuva, urednik). Revolucija v genetiki in obujen strah pred otroki po načrtu, oddaja Frekvenca X, oddaja Val 202, II. program Radia Slovenija, Ljubljana, RTV Slovenija, 206. [COBISS.SI-ID ] 37 DACINGER, Renata (oseba, ki intervjuva, urednik), SUHADOLNIK, Luka (intervjuvanec), ZUPANČIČ, Špela (intervjuvanec), LJUBETIČ, Ajasja (intervjuvanec), ČUČEK, Anja (z enoto povezano ime), IVANUŠ, Nataša (z enoto povezano ime), EMERŠIČ, Živa (odgovorni urednik). Tekmovati v znanosti, (Ugriznimo znanost). Ljubljana, TV Slovenija, [COBISS. SI-ID 42352] 38 DOVČ, Peter (intervjuvanec), MAJDIČ, 200 Letno poročilo 206 _ Annual Report 20

102 Gregor (intervjuvanec), JERALA, Roman (intervjuvanec). Živali in ljudje po meri, Oddaja Ugriznimo znanost, TV SLO, 28. jan Ljubljana, Radio Televizija Slovenija, 206. [COBISS.SI-ID ] 39 LJUBETIČ, Ajasja (intervjuvanec). Nobelova nagrada za kemijo, intervju na Radiu Prvi, RTV SLO, [COBISS.SI-ID ] 40 HORVAT, Simon (intervjuvanec). Odkrili smo gen, ki kaže na odpornost na razvoj debelosti in deluje antidiabetično, sodelovanje v oddaji na Radiu Slovenija, Val 202, [COBISS.SI-ID ] 4 LJUBETIČ, Ajasja (intervjuvanec). Predstavitev nekaterih projektov iz prvega znanstvenega slama v Sloveniji, intervju v oddaji Ugriznimo znanost, RTV SLO, [COBISS.SI-ID ] 42 LJUBETIČ, Ajasja (intervjuvanec). Smo na pragu nanorevolucije, intervju v oddaji Frekvenca X, Val 202, [COBISS.SI- ID ] Mentorstva / Mentorship 43 LONZARIĆ, Jan, MANČEK KEBER, Mateja (mentorica). Priprava umetnih zaklenjenih proteinskih regulatorjev prepisovanja genov (Design of locked modular transcriptional regulators), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 44 BOŽIČ ABRAM, Sabina, GRADIŠAR, Helena (mentorica). Samosestavljive nanostrukture iz polipeptidov, ki tvorijo obvite vijačnice (Self-assembling nanostructures from coiledcoil forming polypeptides), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 45 KOČAR, Vid, GRADIŠAR, Helena (mentorica). Vpliv razporeditve različno stabilnih dimerizacijskih segmentov v enoverižni DNA na učinkovitost zvitja v štiristrano piramidno nanostrukturo (The influence of intrastrand arrangement of dimerization segments differing in thermal stabilities on the efficiency of folding single-chain DNA into a square pyramid nanostructure), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 46 BELTRAM, Jasmina, HORVAT, Simon (mentor). Identifikacija vzročnega gena za vitkost znotraj lokusa Fob3b2 pri miših (Identification of a casual gene for leanness within the Fob3b2 locus in mice), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 47 KNAPIČ, Eva, HORVAT, Simon (mentor), KOTNIK, Primož (somentor). Opredelitev novih alelov za inzulinsko rezistenco z asociacijsko analizo na celotnem genomu ter uporabo združenih vzorcev DNA pri debelih mladostnikih v Sloveniji, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 48 PLAPER, Tjaša, BENČINA, Mojca (mentorica). Stimulacija inflamasoma NAIP/NLRC4 s flagelinom divjega tipa ter flagelinskimi mutantami (Stimulation of inflamasomme NAIP/ NLRC4 with wild type flagellin and flagellin mutants), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 49 DOLINAR, Ana, JERALA, Roman (mentor). Vnos sintetičnega dvokomponentnega sistema signalizacije v sesalske celice, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 50 LEBEN, Katja, HORVAT, Simon (mentor), BENČINA, Mojca (somentorica). Vpliv povezave ligandov Toll-u podobnih receptorjev na aktivacijo imunskega sistema, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 5 OTA, Peter, JERALA, Roman (mentor). Preučevanje vlog meddomenskih regij v Tollpodobnem receptorju 4 s povečanjem njihove fleksibilnosti (The study of roles of Toll-like receptor 4 interdomain regions by increasing their flexibility), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 52 KRŽIŠNIK, Mateja, JERALA, Roman (mentor). Priprava cisteinskih analogov TNF-α za mestnospecifično pegilacijo, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 53 ŠKUFCA, Linda, JERALA, Roman (mentor). Priprava proteina tau in analiza vezave fluorescenčnih sond na njegove fibrile (Preparation of tau protein and analysis of binding fluorescent probes to tau fibrils), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID 40555] 54 GRŽINA, Irena, JERALA, Roman (mentor), ANDERLUH, Gregor (somentor). Strukturna in biofizikalna analiza celico penetrirajočega peptida TP 0 in njegovega dimera, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 55 ŠTERMAN, Nina, HORVAT, Simon (mentor), KEBER, Rok (somentor). Vloga gena Cyp5 v testisih miši med spermatogenezo (The role of gene Cyp5 in mouse testis during spermatogenesis), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 56 KRESE, Rok, JERALA, Roman (mentor). Umetne transkripcijske regulatorne mreže in njihova potencialna uporaba v medicini (Artificial transcriptional regulatory networks and their potential use in medicine), diplomski seminar. Ljubljana, 206. [COBISS.SI-ID ] 57 POHAR, Irena, ŽGUR-BERTOK, Darja (mentorica), LEGIŠA, Matic (somentor). Priprava kvasovke Saccharomyces cerevisiae kot modelnega organizma za študij deregulirane glikolize, ki je značilna za humane rakaste celice (Preparation of the yeast Saccharomyces cerevisiae as a model organism for studies of deregulated glycolysis, which is characteristic for human cancer cells), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 58 BREMŠAK, Robert, POTOČNIK, Uroš (mentor), IVIČAK KOCJAN, Karolina (somentorica). Izolacija rekombinantnega flagelina, diplomsko delo. Maribor, 206. [COBISS.SI-ID ] D3 Odsek za katalizo in reakcijsko inženirstvo / Department of Catalysis and Chemical Reaction Engineering V celoti objavljeni članki (znanstveni) / Full Text Articles PAVLIŠIČ, Andraž, JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, BELE, Marjan, DRAŽIĆ, Goran, ARČON, Iztok, HOČEVAR, Samo B., KOKALJ, Anton, HODNIK, Nejc, GABERŠČEK, Miran. Atomically resolved dealloying of structurally ordered Pt nanoalloy as an oxygen reduction reaction electrocatalyst. ACS Catalysis, 206, vol. 6, iss. 8, str [COBISS.SI-ID ] 2 FELE ŽILNIK, Ljudmila, GRILC, Viktor, MIRT, Ivan, CEROVEČKI, Željko. Study of the influence of key process parameters on furfural production. Acta Chimica Slovenica, 206, vol. 63, no. 2, str [COBISS.SI-ID ] 3 SOSIČ, Izidor, GOBEC, Martina, BRUS, Boris, KNEZ, Damijan, ŽIVEC, Matej, KONC, Janez, LEŠNIK, Samo, OGRIZEK, Mitja, OBRE- ZA, Aleš, ŽIGON, Dušan, JANEŽIČ, Dušanka, MLINARIČ-RAŠČAN, Irena, GOBEC, Stanislav. Nonpeptidic selective inhibitors of the chymotrypsin-like (ß5i) subunit of the immunoproteasome. Angewandte Chemie, International Edition, 206, vol. 55, iss. 9, str [COBISS.SI-ID ] 4 ŽIVKOVIĆ, Luka, POHAR, Andrej, LIKOZAR, Blaž, NIKAČEVIĆ, Nikola. Kinetics and reactor 202 Letno poročilo 206 _ Annual Report 203

103 modeling for CaO sorption-enhanced hightemperature water-gas shift (SE-WGS) reaction for hydrogen production. Applied Energy, 206, vol. 78, str [COBISS.SI-ID ] 5 GRILC, Miha, LIKOZAR, Blaž, LEVEC, Janez. Simultaneous liquefaction and hydrodeoxygenation of lignocellulosic biomass over NiMo/ Al 2 O 3, Pd/Al 2 O 3, and zeolite Y catalysts in hydrogen donor solvents. ChemCatChem, 206, vol. 8, iss., str [COBISS.SI-ID ] 6 GROM, Matic, STAVBER, Gaj, DRNOVŠEK, Pavel, LIKOZAR, Blaž. Modelling chemical kinetics of a complex reaction network of active pharmaceutical ingredient (API) synthesis with process optimization for benzazepine heterocyclic compound. The Chemical Engineering Journal, 206, vol. 283, str [COBISS. SI-ID ] 7 SUHADOLNIK, Luka, POHAR, Andrej, LIKOZAR, Blaž, ČEH, Miran. Mechanism and kinetics of phenol photocatalytic, electrocatalytic and photoelectrocatalytic degradation in a TiO 2 -nanotube fixed-bed microreactor. The Chemical Engineering Journal, 206, vol. 303, str [COBISS.SI-ID ] 8 OGRIZEK, Mitja, KONC, Janez, BREN, Urban, HODOŠČEK, Milan, JANEŽIČ, Dušanka. Role of magnesium ions in the reaction mechanism at the interface between Tm63 protein and its DNA ligand. Chemistry Central Journal, 206, vol. 0, art. no. 4. [COBISS.SI- ID ] 9 JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., RUIZ- ZEPEDA, Francisco, HODNIK, Nejc, BELE, Marjan, GABERŠČEK, Miran. Potentiodynamic dissolution study of PtRu/C electrocatalyst in the presence of methanol. Electrochimica Acta, 206, vol. 2, str [COBISS.SI- ID ] 0 FRKA MILOSAVLJEVIĆ, Sanja, ŠALA, Martin, KROFLIČ, Ana, HUŠ, Matej, ČUSAK, Alen, GRGIĆ, Irena. Quantum chemical calculations resolved identification of methylnitrocatechols in atmospheric aerosols. Environmental Science & Technology, 206, vol. 50, iss., str [COBISS.SI-ID ] FELE ŽILNIK, Ljudmila, GRILC, Miha, LEVEC, Janez, PEPER, Stephanie, DOHRN, Ralf. Phase-equilibrium measurements with a novel multi-purpose high-pressure view cell: CO 2 + n-decane and CO 2 + toluene. Fluid Phase Equilibria, 206, vol. 49, str [COBISS. SI-ID ] 2 LIKOZAR, Blaž, POHAR, Andrej, LEVEC, Janez. Transesterification of oil to biodiesel in a continuous tubular reactor with static mixers: modelling reaction kinetics, mass transfer, scale-up and optimization considering fatty acid composition. Fuel Processing Technology, 206, vol. 42, str [COBISS. SI-ID ] 3 PORI, Maja, LIKOZAR, Blaž, MARINŠEK, Marjan, CRNJAK OREL, Zorica. Preparation of Cu/ZnO-based heterogeneous catalysts by photochemical deposition, their characterisation and application for methanol synthesis from carbon dioxide and hydrogen. Fuel Processing Technology, 206, vol. 46, str [COBISS.SI-ID ] 4 JOVANOVIČ, Primož, ŠELIH, Vid Simon, ŠALA, Martin, HOČEVAR, Samo B., PAVLIŠIČ, Andraž, GATALO, Matija, BELE, Marjan, RUIZ- ZEPEDA, Francisco, ČEKADA, Miha, HODNIK, Nejc, GABERŠČEK, Miran. Electrochemical insitu dissolution study of structurally ordered, disordered and gold doped PtCu 3 nanoparticles on carbon composites. Journal of Power Sources, 206, vol. 327, str [COBISS. SI-ID ] 5 HODNIK, Nejc, BALDIZZONE, Claudio, POLYMEROS, George, GEIGER, Simon, GROTE, Jan-Phillip, CHEREVKO, Serhiy, MINGERS, Andrea, ZERADJANIN, Aleksandar, MAYRHOFER, Karl. Platinum recycling going green via induced surface potential alteration enabling fast and efficient dissolution. Nature Communications, 206, vol. 7, str. -6. [COBISS.SI-ID ] 6 HODNIK, Nejc, DEHM, Gerhard, MAYRHOFER, Karl. Importance and challenges of electrochemical in situ liquid cell electron microscopy for energy conversion research. Accounts of Chemical Research, 206, vol. 49, iss. 9, str [COBISS.SI-ID 59820] V celoti objavljeni članki (strokovni) / Full Text Articles 7 HUŠ, Matej. Prva slovenska zlata medalja na Evropski naravoslovni olimpijadi. Kemija.net, 206, št., str. -9. [COBISS.SI-ID ] 8 HUŠ, Matej. Inkognito kot James Bond. Monitor, 206, letn. 26, str [COBISS.SI- ID ] 9 HUŠ, Matej. Po toči zvoniti je prepozno. Monitor, 206, letn. 26, str [COBISS.SI- ID ] 20 HUŠ, Matej. Računalniki se učijo. Monitor, 206, letn. 26, št., str [COBISS. SI-ID ] 2 HUŠ, Matej. Internet je lahko tudi balon. Monitor, 206, letn. 26, št. 2, str [CO- BISS.SI-ID 43096] 22 HUŠ, Matej. Algoritmi, ki varujejo svet. Monitor, 206, letn. 26, št. 2, str [CO- BISS.SI-ID 4560] 23 HUŠ, Matej. Zbogom, SIMka. Monitor, 206, letn. 26, št. 2, str [COBISS.SI-ID 486] 24 HUŠ, Matej. Koliko varnosti je dovolj?: šifriranje telefonov. Monitor, 206, letn. 26, št. 3, str [COBISS.SI-ID ] 25 HUŠ, Matej. Tipkanje je mrtvo, naj živi narek. Monitor, 206, letn. 26, št. 4, str [COBISS.SI-ID ] 26 HUŠ, Matej. Mafijski virusi. Monitor, 206, letn. 26, št. 4, str [COBISS.SI-ID ] 27 HUŠ, Matej. Prihodnost komunikacije je svetla. Monitor, 206, letn. 26, št. 4, str [COBISS.SI-ID ] 28 HUŠ, Matej. V tujini izklopite LTE!. Monitor, 206, letn. 26, št. 4, str. 72. [COBISS.SI-ID ] 29 HUŠ, Matej. Kako je FBI ugnal Apple v kozji rog. Monitor, 206, letn. 26, št. 5, str [COBISS.SI-ID ] 30 HUŠ, Matej. Domišljija in neumnost ne poznata meja. Monitor, 206, letn. 26, št. 5, str [COBISS.SI-ID ] 3 HUŠ, Matej. Računalniško učenje v vsak žep. Monitor, 206, letn. 26, št. 5, str [COBISS.SI-ID ] 32 HUŠ, Matej. Brez elektrike nam živeti ni. Monitor, 206, letn. 26, št. 6, str [CO- BISS.SI-ID ] 33 HUŠ, Matej. Malo denarja, malo elektrike. Monitor, 206, letn. 26, št. 6, str [COBISS.SI-ID ] 34 HUŠ, Matej. Šifrirana komunikacija po slovensko. Monitor, 206, letn. 26, št. 7/8, str. 20. [COBISS.SI-ID ] 35 HUŠ, Matej. Litijevi umazani pomočniki. Monitor, 206, letn. 26, št. 7/8, str [CO- BISS.SI-ID ] 36 HUŠ, Matej. Ko se hekerji poigrajo. Monitor, 206, letn. 26, št. 9, str [COBISS.SI-ID 59774] 204 Letno poročilo 206 _ Annual Report 205

104 37 HUŠ, Matej. Kdo je za poldrugi meter prestavil Avstralijo? Monitor, 206, letn. 26, št. 9, str [COBISS.SI-ID ] 38 HUŠ, Matej. Vesoljski internet. Monitor, 206, letn. 26, št. 9, str [COBISS.SI-ID ] 39 HUŠ, Matej. Google, kaj tu piše? Monitor, 206, letn. 26, št. 9, str. 90. [COBISS.SI-ID ] 40 HUŠ, Matej. Kremni robotek, sedmič. Monitor, 206, letn. 26, št. 0, str [CO- BISS.SI-ID 60960] 4 HUŠ, Matej. Ko ne bo več bliska. Monitor, 206, letn. 26, št. 0, str [COBISS.SI-ID ] 42 HUŠ, Matej. Zabeležimo vse! Monitor, 206, letn. 26, št., str [COBISS.SI-ID ] 43 HUŠ, Matej. Eksplozivni telefon. Monitor, 206, letn. 26, št., str [COBISS.SI-ID ] 44 HUŠ, Matej. Internetno središče sveta. Monitor, 206, letn. 26, št. 2, str [CO- BISS.SI-ID ] 45 HUŠ, Matej. Babilonski stolp je skoraj končan. Monitor, 206, letn. 26, št. 2, str [COBISS.SI-ID ] 46 HUŠ, Matej. Uglajena Siri ali priljuden Googlov asistent. Monitor, 206, letn. 26, št. 2, str [COBISS.SI-ID 60560] 47 HUŠ, Matej. Zakaj ne volimo po internetu. Monitor, 206, letn. 26, št. 2, str [COBISS.SI-ID ] 48 HUŠ, Matej. T kot tragično. Monitor, 206, letn. 26, št. 2, str [COBISS.SI-ID ] 49 HUŠ, Matej. Cenzorji so mrtvi, naj živijo algoritmi! Monitor, 206, letn. 26, št. 9, str. 5. [COBISS.SI-ID ] 50 GRILC, Miha. Kinetika procesa utekočinjanja in katalitske deoksigenacije lignocelulozne biomase. Novice IJS, 206, št. 77, str [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 5 GRILC, Miha. Kinetika solvoliznega razklopa lignocelulozne biomase in katalitske nadgradnje v proizvode dodane vrednosti (Kinetics of solvolytic fractionation of lignocellulosic biomass and catalytic upgrade into added-value products). V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS. SI-ID ] 52 HUŠ, Matej, URBIČ, Tomaž. Kritična točka tekoče-tekoče v grobo zrnatem modelu vode in metanola. V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS. SI-ID ] 53 STRAH ŠTEFANČIČ, Neja, PAVLIŠIČ, Andraž, HUŠ, Matej, DASIREDDY, Venkata D. B. C., POHAR, Andrej, LIKOZAR, Blaž. Mechanism, reaction kinetics and multi-scale modelling of CO 2 hydrogenation to methanol over trimetallic heterogeneous catalysts. V: 206 AIChE Annual Meeting, November 3-8, 206, San Francisco. San Francisco, 206. [COBISS. SI-ID ] 54 GRILC, Miha, LIKOZAR, Blaž, LEVEC, Janez. Reaction pathway and microkinetic model for levulinic acid hydrodeoxygenation over sulfided NiMo/Al 2 O 3. V: 206 AIChE Annual Meeting, November 3-8, 206, San Francisco. San Francisco, 206. [COBISS.SI-ID ] 55 FAUSSONE, Gian Claudio, GRILC, Miha, LIKOZAR, Blaž. Ash removal from ash-rich ligncellulosic biomass or sludge: the BiAR process. V: 6 th International Symposium on Energy from Biomass and Waste, Venice, 4-7 November 206. Venice, 206. [COBISS.SI-ID ] 56 LOTRIČ, Andrej, SEKAVČNIK, Mihael, POHAR, Andrej, LIKOZAR, Blaž, HOČEVAR, Stanko. Conceptual design of a small portable heat integrated methanol steam reformer: high temperature pem fuel cell system. V: KITANOVSKI, Andrej (ur.), POREDOŠ, Alojz (ur.). ECOS 206, Proceedings of the 29 th International Conference on Efficiency, Cost, Optimisation, Simulation and Environmental Impact of Energy Systems, June , Portorož, Slovenia. Ljubljana, Faculty of Mechanical Engineering, 206. [COBISS.SI-ID ] 57 MILOŠEVIĆ, Miloš, MLADENOVIC, G., SEDMAK, Aleksandar, POHAR, Andrej, LIKO- ZAR, Blaž, LOZANOVIC SAJIC, J. Design of polymeric electrolyte membrane reformer. V: TEAM 206, proceedings of the 8 th International Scientific and Expert Conference, 9 th - 2 st October 206, Trnava, Slovakia. Trnava, AlumniPress, 206, str [COBISS.SI- ID ] 58 IVANOVIĆ, Ivana, SEDMAK, Aleksandar, MILOŠEVIĆ, Miloš, PETRONIĆ, Sanja, POHAR, Andrej, LIKOZAR, Blaž. Initial sensitivity analysis of packed-bed methanol steam reforming reactor. V: TEAM 206, proceedings of the 8 th International Scientific and Expert Conference, 9 th - 2 st October 206, Trnava, Slovakia. Trnava, AlumniPress, 206, str [COBISS. SI-ID ] 59 IVANOVIĆ, Ivana, SEDMAK, Aleksandar, DŽINDO, Emina, SEDMAK, Simon, POHAR, Andrej, LIKOZAR, Blaž. Thermal analysis of packed-bed methanol steam reforming reactor. V: TEAM 206, proceedings of the 8 th International Scientific and Expert Conference, 9 th - 2 st October 206, Trnava, Slovakia. Trnava, AlumniPress, 206, str [COBISS.SI- ID ] 60 HOČEVAR, Brigita, GRILC, Miha, LIKO- ZAR, Blaž. Conversion of cellulose-derived components into added-value chemicals by HDO. V: World Sustainable Energy Days, February 206, Wels, Austria. Wels, 206. [CO- BISS.SI-ID ] 6 GRILC, Miha, LIKOZAR, Blaž, LEVEC, Janez. Feasibility study of simultaneous or two-step LC biomass liquefaction and HDO. V: World Sustainable Energy Days, February 206, Wels, Austria. Wels, 206. [COBISS. SI-ID ] 62 BJELIĆ, Ana, GRILC, Miha, LIKOZAR, Blaž. Lignin processing toward renewable platform chemicals and their further upgrade. V: World Sustainable Energy Days, February 206, Wels, Austria. Wels, 206. [CO- BISS.SI-ID ] 63 GRILC, Miha, POHAR, Andrej, GROM, Matic, DASIREDDY, Venkata D. B. C., HUŠ, Matej, OGRIZEK, Mitja, PAVLIŠIČ, Andraž, STRAH ŠTEFANČIČ, Neja, BJELIĆ, Ana, HOČEVAR, Brigita, LAŠIČ JURKOVIĆ, Damjan, FELE ŽILNIK, Ljudmila, BERČIČ, Gorazd, HOČEVAR, Stanko, LEVEC, Janez, LIKOZAR, Blaž. Emerging challenges and opporunities of engineering the future (bio)refinery processes. V: SOKOLOVIĆ, Slobodan M. (ur.). WPC expert workshop proceedings, Perspectives of the Petroleum Industry in the Future Energy Mix, Belgrade, 6 June, 206, (NPCS technical publications). Novi Sad, National Petroleum Committee of Serbia, 206 Letno poročilo 206 _ Annual Report 207

105 206, str [COBISS.SI-ID ] 64 LAŠIČ JURKOVIĆ, Damjan, POHAR, Andrej, DASIREDDY, Venkata D. B. C., LIKOZAR, Blaž. Kinetična študija obratne reakcije vodnega plina, katalizirane z bakrom na različnih oksidih (Kinetic study of the reverse water-gas shift reaction on copper catalysts using different supports). V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS. SI-ID ] 65 HOČEVAR, Brigita, GRILC, Miha, LIKO- ZAR, Blaž. Razvoj mikrokinetičnega modela hidrodeoksigenacije linearnih C6 ketonov in sekundarnih C6 n-alkoholov (Hydrodeoxygenation of linear C6 ketones and secondary C6 n- alcohols - development of microkinetic model). V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS.SI-ID ] 66 STRAH ŠTEFANČIČ, Neja, HUŠ, Matej, DASIREDDY, Venkata D. B. C., POHAR, Andrej, LIKOZAR, Blaž. Razvoj mikrokinetičnega modela sinteze metanola s hidrogeniranjem ogljikovega dioksida (Development of a microkinetic model for carbon dioxide hydrogenation to methanol). V: KAUČIČ, Venčeslav (ur.), BEŠTER-ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS. SI-ID ] 67 PAVLIŠIČ, Andraž, LIKOZAR, Blaž. Reaktor s strnjenim slojem: CFD (Packed-bed reactor: CFD). V: KAUČIČ, Venčeslav (ur.), BEŠTER- ROGAČ, Marija (ur.), GANTAR, Marjana (ur.). Zbornik referatov in povzetkov, 22. Slovenski kemijski dnevi, Portorož, september 206 (22. Slovenian Chemical Days Portorož, September 28-30, 206). Ljubljana, Slovensko kemijsko društvo, 206. [COBISS.SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 68 PAREKH, Hitesh, DASIREDDY, Venkata D. B. C., VALANDA, Jignesh. Heterogeneous catalysis: a tool for the production of fine chemicals. Saarbrücken, LAP LAMBERT Academic, 206. [COBISS.SI-ID ] Doktorati, magisteriji, diplome / Ph.D., M.Sc. and B.Sc. Theses 69 OGRIZEK, Mitja. In silico napovedovanje katalitičnega delovanja proteina DUF72 s primerjavo encimskih reakcijskih mehanizmov (In silico prediction of catalytic action of protein DUF72 by comparison of enzyme reaction mechanisms), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 70 PULIYALIL, Harinarayanan. Selective plasma etching of polymer matrix composites for improvement of their surface properties (Selektivno plazemsko jedkanje kompozitov s polimerno matriko za izboljšanje njihovih površinskih lastnosti), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] Patenti in patentne prijave / Patents and Patent Applications 7 HOČEVAR, Stanko, KRŽAN, Andrej. Polyoxometalate salts, proton exchange membranes and precursors, membrane-electrode assemblies, fuel cells and methods, patentna prijava WO 206/ (A), München, World Intellectual Property Organization, International Bureau, 206. [COBISS. SI-ID ] 72 FAUSSONE, Gian Claudio, GRILC, Miha, LIKOZAR, Blaž. Process and related system for removing ashes from biomasses, patentna prijava PCT/IT206/00040, München, World Intellectual Property Organization, International Bureau, 206. [COBISS. SI-ID ] 73 GAŠPERŠIČ, Jernej. Rotorski protilaserski oklep, P , Ljubljana, Urad RS za intelektualno lastnino, 206. [COBISS.SI-ID ] Uredništva / Editorships 74 Acta Chimica Slovenica. Levec, Janez (član uredniškega odbora 998-), Likozar, Blaž (član uredniškega odbora 203-). Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), ISSN [COBISS. SI-ID ] 75 Chinese Journal of Chemical Engineering. Levec, Janez (član uredniškega sveta 2000-). Beijing, Chemical Industry Press, Heidelberg, New York, Tokyo, Springer-Verlag Berlin, ISSN [COBISS.SI-ID ] 76 International Journal of Chemical Engineering. Levec, Janez (član uredniškega odbora 2008-). New York, Cairo, Hindawi Publishing Corporation, ISSN X. [COBISS. SI-ID ] 77 International Review of Chemical Engineering. Levec, Janez (član uredniškega odbora 2009-). Napoli, Praise Worthy Prize. ISSN [COBISS.SI-ID ] Intervjuji in mediji / Interviews and Media 78 HODNIK, Nejc (intervjuvanec). Slovenski znanstveniki spet presenetili: odkrili nov način raztapljanja, ki pomeni velik korak k zelenemu recikliranju. 24ur.com, 25. okt [COBISS. SI-ID ] 79 HODNIK, Nejc (intervjuvanec). Slovensko znanstveno odkritje: namesto onesnaževanja Afrike okolju prijazno recikliranje mobilnih telefonov. Dnevnik online, 26. okt [CO- BISS.SI-ID 6044] 80 KONČAR, Boštjan (intervjuvanec), DOMINKO, Robert (intervjuvanec), LIKOZAR, Blaž (intervjuvanec), UDE, Aleš (intervjuvanec), BABIČ, Jan (intervjuvanec), MLADENIĆ, Dunja (intervjuvanec), MEKJAVIĆ, Igor B. (intervjuvanec), LUŠTREK, Mitja (intervjuvanec), KORAŽIJA, Nataša (oseba, ki intervjuva). Spoznajte raziskovalce, ki pobirajo evropske milijone. Manager, 206, št. 4, str [CO- BISS.SI-ID ] 8 HODNIK, Nejc (intervjuvanec). Slovensko znanje za učinkovitejšo oskrbo Evrope s plemenitimi kovinami. SiOL.net, 25. okt [COBISS.SI-ID ] 82 HODNIK, Nejc (intervjuvanec). Dr. sc. Nejc Hodnik, Europu ćemo opskrbiti izvorima plemenitih metala iz e-otpada. Slobodna Dalmacija, [COBISS.SI-ID ] 83 HODNIK, Nejc (intervjuvanec). Odkritje slovenskih znanstvenikov odpira možnost zelenega recikliranja. Slovenska tiskovna agencija, 206. [COBISS.SI-ID ] 84 GNEZDA, Veronika, ANDRINEK, Gašper, HUŠ, Matej (intervjuvanec), ORNIG, Dejan (intervjuvanec), LAVRIČ, Uroš (intervjuvanec), BREZNIK, Matej (intervjuvanec). Nikoli ne veš, kdo je na drugi strani, intervju na Valu 202, Ljubljana, Radiotelevizija Slovenija, 206. [COBISS.SI-ID ] 85 HODNIK, Nejc (intervjuvanec). Novi hladilniki: oddaja Ugriznimo znanost, TV SLO, 3. nov Ljubljana, Radio Televizija Slo- 208 Letno poročilo 206 _ Annual Report 209

106 venija, 206. [COBISS.SI-ID ] 86 HODNIK, Nejc (intervjuvanec), ANDER- LUH, Gregor (intervjuvanec), GYÖRKÖS, József (intervjuvanec), BOH, Tomaž (intervjuvanec), NANUT, Tara (intervjuvanec). O mladih raziskovalcih, oddaja Odkrito, TV Slovenija 3, [COBISS.SI-ID ] 87 HUŠ, Matej (intervjuvanec). Štirje novinci v periodnem sistemu: oddaja Frekvenca X, Val 202, [COBISS.SI-ID ] 88 HODNIK, Nejc (intervjuvanec). Tudi plemenite kovine se da reciklirati zeleno: oddaja Frekvenca X, Val 202, [COBISS.SI- ID ] 89 HODNIK, Nejc (intervjuvanec). Zeleno recikliranje platine: oddaja Pogled v znanost, program ARS, [COBISS.SI-ID ] 90 HUŠ, Matej (intervjuvanec). Darknet: prispevek v oddaji Tednik, RTV SLO, [COBISS.SI-ID ] Mentorstva / Mentorship 9 RŽEN, Janez, LEVEC, Janez (mentor). Uporaba reverzne osmoze v procesu proizvodnje Lizinoprila, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 92 VERBIČ, Urban, LEVEC, Janez (mentor). Reakcija vodnega plina na Cu-ZnG a O x katalizatorju, magistrsko delo. Ljubljana, 206. [CO- BISS.SI-ID ] 93 HUDELJA, Hermina, KOČEVAR, Marijan (mentor), LIKOZAR, Blaž (somentor). Načrtovanje procesa kristalizacije aktivne farmacevtske učinkovine z uporabo in-line tehnik, magistrsko delo. Ljubljana, 206. [CO- BISS.SI-ID ] 94 VIDIC, Marko, PAVKO, Aleksander (mentor), LIKOZAR, Blaž (somentor). Oksidacija levulinske kisline z uporabo heterogenega rutenijevega katalizatorja, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 95 PEKLAR, Boris, PODGORNIK, Aleš (mentor), LIKOZAR, Blaž (somentor). Vpliv obratovalnih pogojev na kristalizacijo derivata piperazina, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] D4 Odsek za strukturo biomolekul / Department of Biomolecular Structure V celoti objavljeni članki (znanstveni) / Full Text Articles KAPLAN, Renata, ERJAVEC, Boštjan, DRAŽIĆ, Goran, GRDADOLNIK, Jože, PINTAR, Albin. Simple synthesis of anatase/rutile/ brookite TiO 2 nanocomposite with superior mineralization potential for photocatalytic degradation of water pollutants. Applied Catalysis. B, Environmental, 206, vol. 8, str [COBISS.SI-ID ] 2 PORI, Pavel, VILČNIK, Aljaž, PETRIČ, Marko, SEVER ŠKAPIN, Andrijana, MIHELČIČ, Mohor, SURCA, Angelja Kjara, NOVAK, Urban, OREL, Boris. Structural studies of TiO 2 /wood coatings prepared by hydrothermal deposition of rutile particles from TiCl 4 aqueous solutions on spruce (Picea Abies) wood. Applied Surface Science, 206, vol. 372, str [COBISS. SI-ID 25853] 3 WICKLEIN, Bernd, KOCJAN, Darko, CARO- SIO, Federico, CAMINO, Giovanni, BERG- STRÖM, Lennart. Tuning the nanocelluloseborate interaction to achieve highly flame retardant hybrid materials. Chemistry of Materials, 206, vol. 28, iss. 7, str [COBISS.SI-ID ] 4 FILIPIČ, Cene, LEVSTIK, Ivana, LEVSTIK, Adrijan, HADŽI, Dušan. Polaron conductivity mechanism in potassium acid phthalate crystal: AC-conductivity investigation. Japanese Journal of Applied Physics, 206, vol. 55, no. 8, str [COBISS.SI-ID ] 5 MOHAČEK-GROŠEV, Vlasta, GRDADOLNIK, Jože, HADŽI, Dušan. Evidence of polaron excitations in low temperature raman spectra of oxalic acid dihydrate. The Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory, 206, vol. 20, no. 8, str [COBISS.SI-ID ] 6 OCVIRK, Miha, GRDADOLNIK, Jože, KOŠIR, Iztok Jože. Determination of the botanical origin of hops (Humulus lupulus L.) using different analytical techniques in combination with statistical methods. Journal of the Institute of Brewing, 206, vol. 22, iss. 3, str [COBISS.SI-ID ] 7 NTOUNTANIOTIS, Dimitrios, VANIOTI, Marianna, KORDOPATI, Golfo, KELLICI, Tahsin, MAROUSIS, Konstantinos D., MAVROMOUSTA- KOS, Thomas Michael, SPYROULIAS, Georgios A., GOLIČ GRDADOLNIK, Simona, TSELIOS, Theodore V. A combined NMR and molecular dynamics simulation study to determine the conformational properties of rat/mouse myelin oligodendrocyte glycoprotein epitope implicated in the induction of experimental autoimmune encephalomyelitis. Journal of Biomolecular Structure & Dynamics, 206, str. -9. [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 8 KAPUN, Gregor, ŠTURM, Sašo, JERMAN, Ivan, MERZEL, Franci, BINYAMIN, Yaniv. A 3D phase analysis method as a tool for the fatigue determination of absorber surfaces. V: 22 nd SolarPACES Conference, - 4 October 206, Abu Dhabi, UAE. Abu Dhabi, 206. [COBISS.SI- ID ] 9 NOVAK, Urban, GRDADOLNIK, Jože. An infrared study of Concanavaline A aggregation at ph 5 and 9. V: PAVLIN, Majda (ur.), et al. Zbornik,. del, Ljubljana, Mednarodna podiplomska šola Jožefa Stefana, 206, str [COBISS.SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 0 MERZEL, Franci. Zbirka rešenih nalog iz osnov metod matematične fizike.. izd. Novo mesto, Fakulteta za tehnologije in sisteme, 206. [COBISS.SI-ID ] Uredništva / Editorships Acta Chimica Slovenica. Hadži, Dušan (član uredniškega odbora 998-), Ljubljana, Slovensko kemijsko društvo (Slovenian Chemical Society), ISSN [COBISS. SI-ID ] 2 Journal of Molecular Structure. Hadži, Dušan (član uredniškega sveta 960-). Amsterdam, Elsevier. ISSN [COBISS. SI-ID ] 3 Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. Hadži, Dušan (član uredniškega odbora 995-). Oxford, New York, Pergamon Press, Amsterdam, Elsevier Science, ISSN [COBISS.SI- ID 96452] 4 ZUPAN, Jure (urednik), ANDER- LUH, Gregor (urednik), ANDRENŠEK, Samo (uredniški odbor), DROLC, Andreja (uredniški odbor), GOLIČ GRDADOLNIK Simona (uredniški odbor), GRAH, Lilijana (uredniški odbor), KAUČIČ, Slavko, (uredniški odbor), OG- 20 Letno poročilo 206 _ Annual Report 2

107 OREVC, Božidar (uredniški odbor), PIRC, Brigita (uredniški odbor), STARE, Jernej (uredniški odbor). Širimo meje znanosti. Ljubljana, Kemijski inštitut, 206, ISBN [COBISS.SI-ID ] D5 Nacionalni center za NMR spektroskopijo visoke ločljivosti / Slovenian NMR centre V celoti objavljeni članki (znanstveni) / Full Text Articles GALER, Petra, WANG, Baifan, ŠKET, Primož, PLAVEC, Janez. Reversible ph switch of two-quartet G-quadruplexes formed by human telomere. Angewandte Chemie, International Edition, 206, vol. 55, iss. 6, str [COBISS.SI-ID ] 2 COTMAN, Andrej Emanuel, CAHARD, Dominique, MOHAR, Barbara. Stereoarrayed CF 3 - substituted,3-diols by dynamic kinetic resolution: ruthenium(ii)-catalyzed asymmetric transfer hydrogenation. Angewandte Chemie, International Edition, 206, vol. 55, iss. 7, str [COBISS.SI-ID ] 3 KOTAR, Anita, WANG, Baifan, SHIVALIN- GAM, Arun, GONZALEZ-GARCIA, Jorge, VILAR, Ramon, PLAVEC, Janez. NMR structure of a triangulenium-based long-lived fluorescence probe bound to a G-quadruplex. Angewandte Chemie, International Edition, 206, vol. 55, iss. 40, str [COBISS.SI-ID ] 4 MAKUC, Damjan, MERCKX, Tamara, DE- HAEN, Wim, PLAVEC, Janez. Conformational NMR study of bistriazolyl anion receptors. Acta Chimica Slovenica, 206, vol. 63, no. 3, str [COBISS.SI-ID ] 5 CRNOLATAC, Ivo, ROGAN, Iva, MAJIĆ, Boris, TOMIĆ, Sanja, DELIGEORGIEV, Todor, HOR- VAT, Gordan, MAKUC, Damjan, PLAVEC, Janez, PESCITELLI, Gennaro, PIANTANIDA, Ivo. Small molecule probes finely differentiate between various ds- and ss-dna and RNA by fluorescence, CD and NMR response. Analytica Chimica Acta, 206, vol. 940, str [COBISS. SI-ID ] 6 SCHWARZLIN, Romina, PUŠENJAK, Nika, MAKUC, Damjan, KRIŽMAN, Mitja, VOVK, Irena, PLAVEC, Janez, ŠVAJGER, Urban. Synergistic complex from plants Solanaceae exhibits cytotoxicity for the human hepatocellular carcinoma cell line HepG2. BMC Complementary and Alternative Medicine, 206, vol. 6, str. -2. [COBISS.SI-ID ] 7 FARRUGIA, Kristina N., MAKUC, Damjan, PODBORSKA, Agnieszka, SZACIŁOWSKI, Konrad, PLAVEC, Janez, MAGRI, David C. Colorimetric naphthalene-based thiosemicarbazide anion chemosensors with an internal charge transfer mechanism. European Journal of Organic Chemistry, 206, vol. 206, iss. 25, str [COBISS.SI-ID 60078] 8 BRČIČ, Jasna, PLAVEC, Janez. G-quadruplex formation of oligonucleotides containing ALS and FTD related GGGGCC repeat. Frontiers of Chemical Science and Engineering, 206, vol. 0, iss. 2, str [COBISS.SI-ID ] 9 SLAPŠAK, Urška, SALZANO, Giulia, AMIN, Ladan, ABSKHARON, Romany N. N., ILC, Gregor, ZUPANČIČ, Blaž, BILJAN, Ivana, PLAVEC, Janez, GIACHIN, Gabriele, LEG- NAME, Giuseppe. The N terminus of the prion protein mediates functional interactions with the neuronal cell adhesion molecule (NCAM) fibronectin domain. The Journal of Biological Chemistry, 206, vol. 29, no. 42, str [COBISS.SI-ID ] 0 KRANJC, Eva, ALBREHT, Alen, VOVK, Irena, MAKUC, Damjan, PLAVEC, Janez. Nontargeted chromatographic analyses of cuticular wax flavonoids from Physalis alkekengi L. Journal of Chromatography A, 206, vol. 437, str [COBISS.SI-ID ] SERŠEN, Sara, ŠKET, Primož, PLAVEC, Janez, TUREL, Iztok. Interactions of two cytotoxic organoruthenium(ii) complexes with G-quadruplex. Journal of Inorganic Biochemistry, 206, vol. 60, str [COBISS.SI-ID ] 2 MILANOS, Lampros, BROX, Regine, FRANK, Theresa, POKLUKAR, Gašper, PALMISANO, Ralf, WAIBEL, Reiner, EINSIE- DEL, Jürgen, DÜRR, Maximilian, IVANOVIĆ- BURMAZOVIĆ, Ivana, LARSEN, Olav, HJORTØ, Gertrud Malene, ROSENKLIDE, Mette Marie, TSCHAMMER, Nuška. Discovery and characterization of biased allosteric agonists of the chemokine receptor CXCR3. Journal of Medicinal Chemistry, 206, vol. 59, iss. 5, str [COBISS.SI-ID ] 3 ŠENICA, Luka, STOPAR, Karmen, FRIEDRICH, Miha, GROŠELJ, Uroš, PLAVEC, Janez, POČKAJ, Marta, PODLIPNIK, Črtomir, ŠTEFANE, Bogdan, SVETE, Jurij. Synthesis and rotational isomerism of -substituted methyl (S)-[5-(2- nitrophenyl)-h-pyrazole-4-carbonyl]alaninates. Journal of Organic Chemistry, 206, vol. 8, iss., str [COBISS.SI-ID ] 4 ADEYANJU, O., OLADEMEHIN, O. P., HUSSAINI, Y., NWANTA, U. C., ADEJOH, A. I., PLAVEC, Janez. Synthesis and characterization of carboxymethyl Plectranthus esculentus starch. A potential disintegrant. Journal of Pharmaceutical and Applied Chemistry, 206, vol. 2, no. 3, str [COBISS.SI-ID ] 5 PODBEVŠEK, Peter, PLAVEC, Janez. KRAS promoter oligonucleotide with decoy activity dimerizes into a unique topology consisting of two G-quadruplex units. Nucleic Acids Research, 206, vol. 44, no. 2, str [COBISS.SI-ID ] 6 KOTAR, Anita, TOMAŠIČ, Tihomir, LENARČIČ ŽIVKOVIĆ, Martina, JUG, Gregor, PLAVEC, Janez, ANDERLUH, Marko. STD NMR and molecular modelling insights into interaction of novel mannose-based ligands with DC- SIGN. Organic and Biomolecular Chemistry, 206, vol. 4, iss. 3, str [COBISS.SI-ID ] 7 RAST, Slavko, MODEC, Barbara, STEPHAN, Michel, MOHAR, Barbara. γ-sultamcored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones. Organic and Biomolecular Chemistry, 206, vol. 4, iss. 6, str [COBISS.SI-ID ] 8 ROCA, Sunčica, VIKIĆ-TOPIĆ, Dražen, PLAVEC, Janez, ŠKET, Primož, MIHALIC, Zlatko, MATKOVIĆ-ČALOGOVIĆ, Dubravka, POPOVIĆ, Zora. Structural diversity of the Ag coordination sphere in complexes of silver(i) nitrate with 3-halopyridine. Characterization of the complexes in solution and in the solid state. Polyhedron, 206, vol. 09, str [COBISS.SI-ID ] 9 JOVIĆ, Danica S., SEKE, Mariana N., DJORDJEVIĆ, Aleksandar N., MRĐANOVIĆ, Jasminka Ž., ALEKSIĆ, Lidija D., BOGDANOVIĆ, Gordana M., PAVIĆ, Aleksandar B., PLAVEC, Janez. Fullerenol nanoparticles as a new delivery system for doxorubicin. RSC Advances, 206, vol. 6, iss. 45, str [COBISS. SI-ID 59066] 20 DRMOTA PREBIL, Sara, SLAPŠAK, Urška, PAVŠIČ, Miha, ILC, Gregor, PUŽ, Vid, ALMEIDA RIBEIRO, Euripedes de, ANRATHER, Dorothea, HARTL, Markus, BACKMAN, Lars, PLAVEC, Janez, LENARČIČ, Brigita, DJINOVIĆ CARUGO, Kristina. Structure and calcium-binding studies of calmodulin-like domain of human nonmuscle α-actinin-. Scientific Reports, 206, vol. 6, str. -3. [COBISS.SI-ID ] 2 JORDAN, Vanja, JAVORNIK, Uroš, 22 Letno poročilo 206 _ Annual Report 23

108 PLAVEC, Janez, PODGORNIK, Aleš, REČNIK, Aleksander. Self-assembly of multilevel branched rutile-type TiO 2 structures via oriented lateral and twin attachment. Scientific Reports, 206, vol. 6, str [COBISS.SI-ID ] 22 JAPELJ, Boštjan, ILC, Gregor, MARUŠIČ, Jaka, SENČAR, Jure, KUZMAN, Drago, PLAVEC, Janez. Biosimilar structural comparability assessment by NMR: from small proteins to monoclonal antibodies. Scientific Reports, 206, vol. 6, str [COBISS.SI-ID ] V celoti objavljeni članki (strokovni) / Full Text Articles 23 JERAN, Marko, MOHAR, Barbara. O vodikovem peroksidu - kvantitativna določitev z uporabo titrimetrije. Kemija v šoli in družbi, 206, št., str. -6, [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 24 PLAVEC, Janez. Structural studies of G4C2-rich repeats in C9orf72 gene by NMR. V: Conference abstract book, BIT s 7 th Annual World DNA and Genome Day-206, BIT s 6 th Annual World Congress of Molecular & Cell Biology-206, BIT s st Annual Inaternational Congress of Genetisc-206, April 25-28, 206, Dalian, China. Dalian, 206, str [COBISS. SI-ID 59686] Doktorati, magisteriji, diplome / Ph.D., M.Sc. and B.Sc. Theses 25 JAVORNIK, Uroš. Analiza supramolekularnih struktur dveh diastereoizomerov modificiranega gvaninskega dinukleotida z NMRspektroskopijo v raztopini, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] Patenti in patentne prijave / Patents and Patent Applications 26 ŠKET, Primož, GALER, Petra. Katakterizacija predzvitih struktur z gvaninskimi ostanki bogatih zaporedij, patentna prijava P , Ljubljana, Urad RS za intelektualno lastnino, 206. [COBISS.SI-ID ] Uredništva / Editorships 27 PODBEVŠEK, Peter (urednik), PLAVEC, Janez (urednik). Advances in noncanonical nucleic acids, ANNA 206, Ljubljana, Slovenia, May 8-20, 206. Ljubljana, Slovenian NMR Centre, National Institute of Chemistry, 206. [COBISS.SI-ID ] 28 ŠKET, Primož (urednik), PLAVEC, Janez (urednik). Frontiers on wonderful world of nucleic acids, Programme and book ob abstracts, Zgornji Brnik, Slovenia, December 6, 206. Ljubljana, Slovenian NMR Centre, National Institute of Chemistry Slovenia, 206. [COBISS. SI-ID ] Mentorstva / Mentorship 29 MARSETIČ, Živa, PLAVEC, Janez (mentor), ČASAR, Zdenko (somentor). Prednosti in slabosti ločbe zdravilne učinkovine ter njenih nečistot z metodo HPLC v primerjavi z navidezno ločbo z metodo NMR (DOSY), magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 30 ZALAR, Matja, PLAVEC, Janez (mentor). Vpliv kationov na zvijanje oligonukleotida d(g 4 C 2 ), njihova lokalizacija in dinamika, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 3 PEČNIK, Klemen, ZIHERL, Primož (mentor), PLAVEC, Janez (somentor), SERŠA, Gregor (somentor). Uporaba NMR spektroskopije in metod strojnega učenja za natančnejše iskanje biomarkerjev tumorskih celic, magistrsko delo. Ljubljana, 206. [COBISS.SI-ID ] 32 JAVORNIK, Uroš, PLAVEC, Janez (mentor). Analiza supramolekularnih struktur dveh diastereoizomerov modificiranega gvaninskega dinukleotida z NMR-spektroskopijo v raztopini, diplomsko delo. Ljubljana, 206. [COBISS. SI-ID ] 33 OBERČ, Maja, PLAVEC, Janez (mentor). Spremljanje interakcij pri kemijski stabilizaciji zdravilne učinkovine v formulaciji, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 34 MARINČ, Samo, PLAVEC, Janez (mentor). Tvorba G-kvadrupleksov iz zaporedja promotorja gena KRAS, diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] 35 KORBAR, Tjaša, PLAVEC, Janez (mentor). Vpliv inverzije polarnosti verige v DNA zaporedju na vezavo in premikanje kationov, diplomsko delo. Ljubljana, 206. [COBISS.SI- ID ] 36 KOVAČIČ, Matic, PLAVEC, Janez (mentor). Stabilizacija G-kvadrupleksa trombinvezavnega aptamera s pirenskimi skupinami, diplomsko delo. Ljubljana, 206. [COBISS.SI- ID ] D6 Center za validacijske tehnologije in analitiko / Center for Validation Technologies and Analytics V celoti objavljeni članki (znanstveni) / Full Text Articles GRIČAR, Maja, ANDRENŠEK, Samo. Determination of azide impurity in sartans using reversed-phase HPLC with UV detection. Journal of Pharmaceutical and Biomedical Analysis, 206, vol. 25, str [COBISS.SI-ID ] Uredništva / Editorships 2 ZUPAN, Jure (urednik), ANDERLUH, Gregor (urednik), ANDRENŠEK, Samo (uredniški odbor), DROLC, Andreja (uredniški odbor), GOLIČ GRDADOLNIK Simona (uredniški odbor), GRAH, Lilijana (uredniški odbor), KAUČIČ, Slavko, (uredniški odbor), OGOREVC, Božidar (uredniški odbor), PIRC, Brigita (uredniški odbor), STARE, Jernej (uredniški odbor). Širimo meje znanosti. Ljubljana, Kemijski inštitut, 206, ISBN [COBISS.SI-ID ] Mentorstva / Mentorship 3 CAR, Vjekoslava, ANDRENŠEK, Samo (mentor). Rapid UPLC-ESI-MS/MS based assay for discovery of UDP-N-acetylmuramoyl-L-alanine:D-glutamate (MurD) ligase inhibitors, master s thesis. Nova Gorica, 206. [COBISS.SI-ID ] D7 Odsek za molekularno modeliranje / Department of Molecular Modeling V celoti objavljeni članki (znanstveni) / Full Text Articles SOSIČ, Izidor, GOBEC, Martina, BRUS, Boris, KNEZ, Damijan, ŽIVEC, Matej, KONC, Janez, LEŠNIK, Samo, OGRIZEK, Mitja, OBRE- ZA, Aleš, ŽIGON, Dušan, JANEŽIČ, Dušanka, MLINARIČ-RAŠČAN, Irena, GOBEC, Stanislav. Nonpeptidic selective inhibitors of the chymotrypsin-like (ß5i) subunit of the immunoproteasome, Angewandte Chemie, International Edition, 206, vol. 55, iss. 9, str , [COBISS.SI-ID ] 24 Letno poročilo 206 _ Annual Report 25

109 2 OGRIZEK, Mitja, KONC, Janez, BREN, Urban, HODOŠČEK, Milan, JANEŽIČ, Dušanka. Role of magnesium ions in the reaction mechanism at the interface between Tm63 protein and its DNA ligand. Chemistry Central Journal, 206, vol. 0, art. no. 4, str. -9. [CO- BISS.SI-ID ] 3 LEŠNIK, Samo, KONC, Janez, JANEŽIČ, Dušanka. Scaffold hopping and bioisosteric replacements based on binding site alignments. Croatica Chemica Acta, 206, vol. 89, no. 4, str [COBISS.SI-ID ] 4 HAUPT, V. Joachim, AGUILAR UVALLE, Jesús E., SALENTIN, Sebastian, DAMINEL- LI, Simone, LEONHARDT, Franziska, KONC, Janez, SCHROEDER, Michael. Computational drug repositioning by target hopping: a use case in chagas disease. Current Pharmaceutical Design, 206, vol. 22, iss. 2, str [COBISS.SI-ID ] 5 ZIDAR, Nace, TOMAŠIČ, Tihomir, MACUT, Helena, SIRC, Anja, BRVAR, Matjaž, MON- TALVÃO, Sofia, TAMMELA, Päivi, ILAŠ, Janez, KIKELJ, Danijel. New N-phenyl-4,5-dibromopyrrolamides and N-phenylindolamides as ATPase inhibitors of DNA gyrase. European Journal of Medicinal Chemistry, 206, vol. 7, str [COBISS.SI-ID ] 6 ZAVADLAV, Julija, PODGORNIK, Rudolf, NUNO MELO, Manuel, MARRINK, Siewert J., PRAPROTNIK, Matej. Adaptive resolution simulation of an atomistic DNA molecule in MARTINI salt solution. The European Physical Journal, Special Topics, 206, vol. 225, iss. 8, str [COBISS.SI-ID ] 7 ZAVADLAV, Julija, MARRINK, Siewert J., PRAPROTNIK, Matej. Adaptive resolution simulation of supramolecular water: the concurrent making, breaking, and remaking of water bundles. Journal of Chemical Theory and Computation, 206, vol. 2, iss. 8, str [COBISS.SI-ID ] 8 DILIP, Athira, LEŠNIK, Samo, ŠTULAR, Tanja, JANEŽIČ, Dušanka, KONC, Janez. Ligandbased virtual screening interface between Py- MOL and LiSiCA. Journal of Cheminformatics, 206, vol. 8, str. -5. [COBISS.SI-ID ŠTULAR, Tanja, LEŠNIK, Samo, ROŽMAN, Kaja, SCHINK, Julia, ZDOUC, Mitja, GHYSELS, An, LIU, Feng, ALDRICH, Courtney C., HAUPT, V. Joachim, SALENTIN, Sebastian, DAMINEL- LI, Simone, SCHROEDER, Michael, LANGER, Thierry, GOBEC, Stanislav, JANEŽIČ, Dušanka, KONC, Janez. Discovery of Mycobacterium tuberculosis InhA inhibitors by binding sites comparison and ligands prediction. Journal of Medicinal Chemistry, 206, vol. 59, iss. 24, str [COBISS.SI-ID ] 0 KLVAŇA, Martin, BREN, Urban, FLORIÁN, Jan. Uniform free-energy profiles of the P-O bond formation and cleavage reactions catalyzed by DNA polymerases β and λ. The Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 206, vol. 20, iss. 5, str [CO- BISS.SI-ID ] SCHWARZL, Maria, GODEC, Aljaž, OS- HANIN, Gleb, METZLER, Ralf. A single predator charging a herd of prey: effects of self volume and predator-prey decision-making. Journal of Physics. A, Mathematical and Theoretical, 206, vol. 49, no. 22, str. -9. [COBISS.SI-ID ] 2 GODEC, Aljaž, METZLER, Ralf. Active transport improves the precision of linear long distance molecular signalling. Journal of Physics. A, Mathematical and Theoretical, 206, vol. 49, no. 36, str. -. [COBISS.SI-ID ] 3 BRGLEZ MOJZER, Eva, KNEZ HRNČIČ, Maša, ŠKERGET, Mojca, KNEZ, Željko, BREN, Urban. Polyphenols: extraction methods, antioxidative action, bioavailability and anticarcinogenic effects. Molecules, 206, vol. 2, no. 7, str [COBISS.SI-ID ] 4 GODEC, Aljaž, METZLER, Ralf. Universal proximity effect in target search kinetics in the few-encounter limit. Physical Review. X, 206, vol. 6, iss. 4, str [CO- BISS.SI-ID ] 5 GODEC, Aljaž, METZLER, Ralf. First passage time distribution in heterogeneity controlled kinetics: going beyond the mean first passage time. Scientific Reports, 206, vol. 6, str [COBISS.SI-ID ] 6 SABLIĆ, Jurij, PRAPROTNIK, Matej, DEL- GADO-BUSCALIONI, Rafael. Open boundary molecular dynamics of sheared star-polymer melts. Soft Matter, 206, vol. 2, iss. 8, str [COBISS.SI-ID ] V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions 7 DEPOLLI, Matjaž, KONC, Janez, SZ- ABÓ, Sándor, ZAVALNIJ, Bogdan. Usage of hereditary colorings of product graphs in clique search programs. V: BRODNIK, Andrej (ur.). Middle-European Conference on Applied Theoretical Computer Science (MATCOS 206), zbornik 9. mednarodne multikonference Informacijska družba - IS 206, oktober 206, Ljubljana, Slovenija (Proceedings of the 9 th International Multiconference Information Society - IS 206, 2.-3 October 206, Ljubljana, Slovenia), zvezek H. Ljubljana, Institut Jožef Stefan, 206, str [COBISS.SI-ID ] Monografije, sestavki in druga zaključena dela / Monographs, Contributions and Other Finished Works 8 KONC, Janez. Alzheimer, Parkinson, Huntington - obeti: učno gradivo za študente univerzitetnega študijskega programa 2. stopnje Biopsihologija pri predmetu Molekularne osnove nevrodegeneracije. Koper, Fakulteta za matematiko, naravoslovje in informacijske tehnologije, 206. [COBISS.SI-ID ] 9 KONC, Janez. Staranje: učno gradivo za študente univerzitetnega študijskega programa 2. stopnje Biopsihologija pri predmetu Molekularne osnove nevrodegeneracije. Koper, Fakulteta za matematiko, naravoslovje in informacijske tehnologije, 206. [COBISS.SI-ID ] 20 KONC, Janez. Virtualno rešetanje za razvoj zdravilnih učinkovin: učno gradivo za študente univerzitetnega študijskega programa. stopnje Biopsihologija pri predmetu Psihofarmakologija. Koper, Fakulteta za matematiko, naravoslovje in informacijske tehnologije, 206. [COBISS.SI-ID ] Uredništva / Editorships 2 Journal of Chemistry (Hindawi). Bren, Urban (član uredniškega odbora 202-). Cairo, Hindawi Publishing Corporation, ISSN [COBISS.SI-ID ] Mentorstva / Mentorship 22 OGRIZEK, Mitja, KONC, Janez (mentor), STOJAN, Jure (somentor). In silico napovedovanje katalitičnega delovanja proteina DUF72 s primerjavo encimskih reakcijskih mehanizmov (In silico prediction of catalytic action of protein DUF72 by comparison of enzyme reaction mechanisms), doktorska disertacija. Ljubljana, 206. [COBISS.SI-ID ] 23 PETOVAR, Barbara, FINŠGAR, Matjaž (mentor), BREN, Urban (somentor). Elektrokemijska in površinska analiza azolov na jeklu, magistrsko delo. Maribor, 206. [COBISS.SI-ID ] 24 OSREDKAR, Kaja, BRVAR, Matjaž (men- 26 Letno poročilo 206 _ Annual Report 27

110 tor), CERJAK, Anja (mentor). Kozmetično aktivne sestavine v izdelkih za aknasto kožo, diplomska naloga. Novo mesto, 206. [COBISS. SI-ID 56342] 25 BOHINC, Dušanka, BREN, Urban (mentor), TUŠAR, Marjan (somentor). Ovrednotenje energije raztegovanja PmB bitumna na različnih dolžinah raztega, diplomsko delo. Maribor, 206. [COBISS.SI-ID ] 26 ROMANIĆ, Luka, FUCHS GODEC, Regina (mentorica), BREN, Urban (somentor). Ekstrakt rožmarina, kot inhibitor korozijskih procesov, diplomsko delo. Maribor, 206. [CO- BISS.SI-ID ] 27 MAZEJ, Maja, FUCHS GODEC, Regina (mentorica), BREN, Urban (somentor). Inhibicijske lastnosti mešanice Polioksietilen (40) izobutilfenil etra z dodatkom halogenidnih ionov v klorovodikovi kislini, diplomsko delo. Maribor, 206. [COBISS.SI-ID ] 28 IVANČIČ, Teo, FUCHS GODEC, Regina (mentorica), BREN, Urban (somentor). Korozijska obstojnost nanosa aerosolnega razpršilnika Plasti Dip v agresivnem mediju, diplomsko delo. Maribor, 206. [COBISS.SI-ID ] 29 ŠKRLJ, Blaž, KUNEJ, Tanja (mentorica), KONC, Janez (somentor). Razvoj bioinformacijskih pristopov za napovedovanje polimorfizmov v mestih proteinskih interakcij (Development of bioinformatics methods for identification of mutations in protein interaction sites), diplomsko delo. Ljubljana, 206. [COBISS.SI-ID ] Poročilo o delu 206 / Annual report 206 Založil / Published by: Kemijski inštitut Ljubljana, Hajdrihova 9, SI-00 Ljubljana Uredili / Edited by: Brigita Pirc in dr. Andreja Drolc (bibliograija/bibliography) Fotograije / Photo: Arhiv Kemijskega inštituta / Archive of the National Institute of Chemistry Oblikovanje / Design: Katja Zelinka Škerlavaj in / and Peter Škerlavaj Tisk / Print: Grafika Brecelj d.o.o. Ljubljana, Letno poročilo 206 _ Annual Report 29