Dr. Robert Vianello
Laboratory for the Computational Design and Synthesis of Functional Materials
Bijenička cesta 54
HR-10000 Zagreb
Croatia
Education
2010-2012 FP7 Marie Curie fellow, National Institute of Chemistry, Ljubljana, Slovenia (host: Dr. Janez Mavri)
2005 Alexander von Humboldt Postdoctoral Fellow, Institute of Organic Chemistry, University of Heidelberg, Germany (host: Prof. Rolf Gleiter)
05.11.2003. PhD in Natural Sciences, University of Zagreb, Croatia. Thesis title: "Interactions of Lewis acids and bases". Supervisor: Prof. Zvonimir Maksić
2001–2003 Postgraduate study of physical chemistry, Faculty of Science, University of Zagreb, Croatia
17.11.2000. Dipl. Ing. in Chemistry, Faculty of Science, University of Zagreb, Croatia. Thesis title: "Proton Affinities of Some Guanidine Derivatives". Supervisor: Prof. Zvonimir Maksić
1996–2000 Chemistry study, Faculty of Science, University of Zagreb, Croatia
1992–1996 The Sušak High School, Rijeka, Croatia
1984–1992 Primary School, Rijeka, Croatia
Projects
2015-2019 "Design and Synthesis of Novel Nitrogen-Containing Heterocyclic Fluorophores and Fluorescent Nanomaterials for pH and Metal-Ion Sensing"; research grant from the Croatian Science Foundation
2013-2017 "Computational Studies of the Biogenic Amines of the Brain for Targeting Neurological Diseases"; individual FP7 Marie Curie Career Integration Grant (FP7-PEOPLE-2012-CIG call)
2011-2014 "Broensted and Lewis acids and bases in chemistry and biochemistry"; fundamental project from the Croatian Ministry of Science, Education and Sports
2010-2012 "Computational Studies of Proton Dynamics in Hydrogen Bonded Systems and Enzymes"; individual Marie Curie Fellowship for Career Development (FP7–PEOPLE–2009–IEF call) for 18 months stay at the National Institute of Chemistry in Ljubljana (Slovenia)
2008-2010 "Computational Prediction of Structure and Catalytic Activity of New Organic Superacids"; Research Grant from the Unity through Knowledge Fund under the Young Researchers and Professionals Program co-financed by the industrial partner APO Environmental Protection Services Ltd. Zagreb, Croatia
2009-2010 "Acid-base and tautomeric properties of biologically relevant molecules in solution"; Croatia-Slovenia bilateral project
2008-2009 "Amide bond and their implications in molecular biology"; Austria-Croatia bilateral project
Awards and Achievements
2018 Branimir Jernej Foundation Annual Award for a publication in the fields of molecular biology, neurosciences and biomedicine published in 2017
2017 Croatian National Science Award in the field of natural sciences awarded by the Croatian Parliament and the Ministry of Science and Education of the Republic of Croatia
2015 Annual Award from the director of the Ruđer Bošković Institute for a paper in a journal with high impact factor
2013 Presentation on the official web-site of the European Commission (http://www.croatia-in-the-eu.eu) celebrating Croatia's accession to the European Union
2012 "Marie Curie Success Story", presentation of the project among 23 individual Marie Curie fellowships in the publication "EU FP7 People Specific Programme Success Stories Booklet"
2012 Annual Award from the director of the Ruđer Bošković Institute for a paper in a journal with high impact factor
2010 "50,000th Marie Curie Fellowship Award", an honour given by the European Commission to 25 Marie Curie Fellows
2010 Annual Award from the director of the Ruđer Bošković Institute for securing a highly funded project
2010 "Promising Scientist Prize" of the Centre for the Applied Quantum Mechanics in Paris, France
2008 Annual Award of the Croatian Academy of Sciences and Arts for the development of the scientific and artistic work
2007 Leopold Ružička Award for young scientists of the Croatian Chemical Society
2006 Croatian National Science Award – Annual award for junior researchers awarded by the Croatian Parliament and the Ministry of Science, Education and Sports of the Republic of Croatia
2004 Annual Award by the Society of University Teachers and other Scientists in Zagreb for the work in chemistry
2004 Alexander von Humboldt Postdoctoral Fellowship for a three months stay at the University of Heidelberg, Germany (host: Prof. Rolf Gleiter)
2004 City of Rijeka's Public Award – Annual award for the creative work and achievements in chemistry in 2002 and 2003
1995 Annual Award for the Achievements in Technical Culture and the Promotion of the City of Rijeka awarded by the Society of Technical Culture and the City of Rijeka
1993–2000 Scholar of the City of Rijeka
Featured Publications
1. A. Beč, R. Vianello*, M. Hranjec*: "Synthesis and spectroscopic characterization of multifunctional D-π-A benzimidazole derivatives as potential pH sensors", Journal of Molecular Liquids 2023, 386, 122493.
2. L. Hok, R. Vianello*: "Selective deuteration improves the affinity of adenosine A2A receptor ligands: A computational case study with istradefylline and caffeine", Journal of Chemical Information and Modeling 2023, 63, 3138–3149.
3. I. Boček, L. Hok, L. Persoons, D. Daelemans, R. Vianello*, M. Hranjec*: "Imidazo[4,5-b]pyridine derived tubulin polymerization inhibitors: Design, synthesis, biological activity in vitro and computational analysis", Bioorganic Chemistry 2022, 127, 106032.
4. M. Radović, L. Hok, M. Panić, M. Cvjetko Bubalo*, R. Vianello*, M. Vinković, I. Radojčić Redovniković: "Deep eutectic solvents as a stabilising medium for NAD coenzyme: Unravelling the mechanism behind coenzyme stabilisation effect", Green Chem. 2022, 24, 7661.
5. E. Mehić, L. Hok, Q. Wang, I. Dokli, M. Svetec Miklenić, Z. Findrik Blažević, L. Tang, R. Vianello*, M. Majerić Elenkov*: "Expanding the scope of enantioselective halohydrin dehalogenases – Group B", Advanced Synthesis & Catalysis 2022, 364, 2576–2588, cover page article.
6. I. Boček, M. Hranjec*, R. Vianello*: "Imidazo[4,5-b]pyridine derived iminocoumarins as potential pH probes: Synthesis, spectroscopic and computational studies of their protonation equilibria", J. Mol. Liq. 2022, 355, 118982.
7. L. Hok, H. Rimac, J. Mavri, R. Vianello*: "COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes", Comput. Struct. Biotechnol. J. 2022, 20, 1254.
8. N. Perin, L. Hok, A. Beč, L. Persoons, E. Vanstreels, D. Daelemans, R. Vianello*, M. Hranjec*: "N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: synthesis, biological activity and computational analysis", Eur. J. Med. Chem. 2021, 211, 113003.
9. T. Tandarić, R. Vianello*: "Computational insight into the mechanism of the irreversible inhibition of monoamine oxidase enzymes by the anti-parkinsonian propargylamine inhibitors rasagiline and selegiline", ACS Chem. Neurosci. 2019, 10, 3532.
10. A. Maršavelski, R. Vianello*: "What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine", Chem.–Eur. J. 2017, 23, 2915.
11. T. Gregorić, M. Sedić*, P. Grbčić, A. Tomljenović Paravić, S. Kraljević Pavelić, M. Cetina, R. Vianello*, S. Raić-Malić*: "Novel pyrimidine-2,4-dione-1,2,3-triazole and furo[2,3-d]pyrimidine-2-one-1,2,3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluation", Eur. J. Med. Chem. 2017, 125, 1247.
12. M. Pavlin, M. Repič, R. Vianello*, J. Mavri*: "The chemistry of neurodegeneration: kinetic data and their implications”, Molecular Neurobiology 2016, 53, 3400–3415.
13. I. Despotović, R. Vianello*: “Engineering exceptionally strong oxygen superbases with 1,8-diazanaphthalene di-N-oxides”, Chem. Commun. 2014, 50, 10941.
14. R. Vianello*, M. Repič, J. Mavri: "How are biogenic amines metabolized by monoamine oxidases?”, European Journal of Organic Chemistry 2012, 7057–7065, cover page article.
15. Z. B. Maksić, B. Kovačević*, R. Vianello*: "Advances in determining the absolute proton affinities of neutral organic molecules in the gas phase and their interpretation: a theoretical account”, Chem. Rev. 2012, 112, 5240.
Publications - editorial books
Zbornik radova s konferencije
The 5th Central European Conference - Chemistry towards Biology / Abramić, Marija ; Maksić, Zvonimir ; Salopek-Sondi, Branka et al. (ur.). Zagreb: Institut Ruđer Bošković, 2010
Publications - book chapters
Izvorni znanstveni rad
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Horak, Ema ; Vianello, Robert ; Murković Steinberg, Ivana | Optical Sensing (Nano)Materials Based on Benzimidazole Derivatives // Chemistry and Applications of Benzimidazole and its Derivatives. | London : Delhi: IntechOpen, 2019. str. 184-205 . doi: 10.5772/intechopen.85643
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Vianello, Robert ; Mavri, Janez | EVB simulation of the catalytic activity of monoamine oxidases: from chemical physics to neurodegeneration // Theory and applications of the empirical valence bond approach: from physical chemistry to chemical biology. | Chichester: John Wiley & Sons, 2017. str. 199-231 . doi: 10.1002/9781119245544.ch8
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Publications - journal articles
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Pantalon Juraj, Natalija ; Muratović, Senada ; Perić, Berislav ; Šijaković Vujičić, Nataša ; Vianello, Robert ; Žilić, Dijana ; Jagličić, Zvonko ; Kirin, Srećko I. | Structural variety of isopropyl-bis(2- picolyl)amine complexes with zinc(II) and copper(II) // Crystal growth & design, 20 (2020), 4; 2440-2453. doi: 10.1021/acs.cgd.9b01625
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Horak, Ema ; Babić, Darko ; Vianello, Robert ; Perin, Nataša ; Hranjec, Marijana ; Murković Steinberg, Ivana | Photophysical properties and immobilisation of fluorescent pH responsive aminated benzimidazo[1,2-a]quinoline-6-carbonitriles // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 227 (2020), 117588, 15. doi: 10.1016/j.saa.2019.117588
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Kržan, Mojca ; Keuschler, Jan ; Mavri, Janez ; Vianello, Robert | Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration // Biomolecules, 10 (2020), 2; 196, 10. doi: 10.3390/biom10020196
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Perković, Ivana ; Raić-Malić, Silvana ; Fontinha, Diana ; Prudêncio, Miguel ; Pessanha de Carvalho, Lais ; Held, Jana ; Tandarić, Tana ; Vianello, Robert ; Zorc, Branka ; Rajić, Zrinka | Harmicines − harmine and cinnamic acid hybrids as novel antiplasmodial hits // European journal of medicinal chemistry, 187 (2020), 111927, 16. doi: 10.1016/j.ejmech.2019.111927
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Horak, Ema ; Robić, Marko ; Šimanović, Aleksandra ; Mandić, Vilko ; Vianello, Robert ; Hranjec, Marijana ; Murković Steinberg, Ivana | Tuneable solid-state emitters based on benzimidazole derivatives: aggregation induced red emission and mechanochromism of D-π-A fluorophores // Dyes and pigments, 162 (2019), 688-696. doi: 10.1016/j.dyepig.2018.10.069
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Tandarić, Tana ; Vianello, Robert | Computational Insight into the Mechanism of the Irreversible Inhibition of Monoamine Oxidase Enzymes by the Antiparkinsonian Propargylamine Inhibitors Rasagiline and Selegiline // ACS Chemical Neuroscience, 10 (2019), 8; 3532-3542. doi: 10.1021/acschemneuro.9b00147
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Toma, Mateja ; Božičević, Lucija ; Lapić, Jasmina ; Djaković, Senka ; Šakić, Davor ; Tandarić, Tana ; Vianello, Robert ; Vrček, Valerije | Transacylation in Ferrocenoyl-Purines. NMR and Computational Study of the Isomerization Mechanism // Journal of organic chemistry, 84 (2019), 19; 12471-12480. doi: 10.1021/acs.joc.9b01944
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Matić, Josipa ; Šupljika, Filip ; Tandarić, Tana ; Dukši, Marko ; Piotrowski, Patryciusz ; Vianello, Robert ; Brozović, Anamaria ; Piantanida, Ivo ; Schmuck, Carsten ; Radić Stojković, Marijana | DNA/RNA recognition controlled by the glycine linker and the guanidine moiety of phenanthridine peptides // International journal of biological macromolecules, 134 (2019), 422-434. doi: 10.1016/j.ijbiomac.2019.05.063
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Cindrić, Maja ; Sović, Irena ; Mioč, Marija ; Hok, Lucija ; Boček, Ida ; Roškarić, Petra ; Butković, Kristina ; Martin-Kleiner, Irena ; Starčević, Kristina ; Vianello, Robert et al. | Experimental and computational study of the antioxidative potential of novel nitro and amino substituted benzimidazole/benzothiazole-2-carboxamides with antiproliferative activity // Antioxidants, 8 (2019), 10; 477, 22. doi: 10.3390/antiox8100477
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Valadbeigi, Younes ; Vianello, Robert | A density functional theory study on the superacidity of sulfuric, fluorosulfuric, and triflic acid derivatives with two cyclopentadiene rings: ion pairs formation in the gas phase // Journal of physical organic chemistry, 32 (2019), 10; e3995, 10. doi: 10.1002/poc.3995
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Tandarić, Tana ; Hok, Lucija ; Vianello, Robert | From Hydrogen Peroxide-Responsive Boronated Nucleosides Towards Antisense Therapeutics – A Computational Mechanistic Study // Croatica chemica acta, 92 (2019), 2; 287-295. doi: 10.5562/cca3592
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Pantalon Juraj, Natalija ; Miletić, Goran I. ; Perić, Berislav ; Popović, Zora ; Smrečki, Neven ; Vianello, Robert ; Kirin, Srećko I. | Stereochemistry of Hexacoordinated Zn(II), Cu(II), Ni(II), and Co(II) Complexes with Iminodiacetamide Ligands // Inorganic chemistry, 58 (2019), 24; 16445-16457. doi: 10.1021/acs.inorgchem.9b02200
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Horak, Ema ; Vianello, Robert ; Hranjec, Marijana ; Murković Steinberg, Ivana | Colorimetric and fluorimetric metal ion chemosensor based on a benzimidazole functionalised Schiff base // Supramolecular chemistry, 30 (2018), 10; 891-900. doi: 10.1080/10610278.2018.1436708
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Valadbeigi, Younes ; Vianello, Robert | Superacidity of -P(OH)3 and -SO(OH)2 derivatives of cyclopentadiene and vinylcyclopentadiene in the gas phase: A computational DFT analysis // International journal of quantum chemistry, 118 (2018), 21; e25754, 10. doi: 10.1002/qua.25754
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Foretić, Blaženka ; Vianello, Robert ; Matković-Čalogović, Dubravka ; Jadreško, Dijana ; Picek, Igor | Supramolecular inter-ionic charge-transfer complexes between derivatives of pyridinium-4- oxime cations and hexacyanoferrate(II) anions // New journal of chemistry, 42 (2018), 16115-16126. doi: 10.1039/c8nj03066a
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Perin, Nataša ; Roškarić, Petra ; Sović, Irena ; Boček, Ida ; Starčević, Kristina ; Hranjec, Marijana ; Vianello, Robert | Amino-substituted benzamide derivatives as promising antioxidant agents: a combined experimental and computational study // Chemical research in toxicology, 31 (2018), 9; 974-984. doi: 10.1021/acs.chemrestox.8b00175
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Maršavelski, Aleksandra ; Petrović, Dušan ; Bauer, Paul ; Vianello, Robert ; Kamerlin, Shina Caroline Lynn | Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase // ACS Omega, 3 (2018), 4; 3665-3674. doi: 10.1021/acsomega.8b00346
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Tandarić, Tana ; Vianello, Robert | Design of Exceptionally Strong Organic Superbases Based on Aromatic Pnictogen Oxides: Computational DFT Analysis of the Oxygen Basicity in the Gas Phase and Acetonitrile Solution // The journal of physical chemistry. A, 122 (2018), 5; 1464-1471. doi: 10.1021/acs.jpca.7b11945
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Dabić, Dario ; Brkljačić, Lidija ; Tandarić, Tana ; Žinić, Mladen ; Vianello, Robert ; Frkanec, Leo ; Kobetić, Renata | The Metal effect on self-assembling of oxalamide gelators explored by mass spectrometry and DFT calculations // Journal of the American Society for Mass Spectrometry, 28 (2018), 1; 103-113. doi: 10.1007/s13361-017-1834-5
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Gregorić, Tomislav ; Sedić, Mirela ; Grbčić, Petra ; Tomljenović Paravić, Andrea ; Kraljević Pavelić, Sandra ; Cetina, Mario ; Vianello, Robert ; Raić-Malić, Silvana | Novel pyrimidine-2,4-dione–1,2,3-triazole and furo[2,3-d]pyrimidine-2-one–1,2,3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluation // European journal of medicinal chemistry, 125 (2017), 1247-1267. doi: 10.1016/j.ejmech.2016.11.028
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Horak, Ema ; Vianello, Robert ; Hranjec, Marijana ; Krištafor, Svjetlana ; Karminski Zamola, Grace ; Murković Steinberg, Ivana | Benzimidazole acrylonitriles as multifunctional push-pull chromophores: spectral characterisation, protonation equilibria and nanoaggregation in aqueous solutions // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 178 (2017), 225-233. doi: 10.1016/j.saa.2017.02.011
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Horak, Ema ; Hranjec, Marijana ; Vianello, Robert ; Murković Steinberg, Ivana | Reversible pH switchable aggregation-induced emission of self-assembled benzimidazole-based acrylonitrile dye in aqueous solution // Dyes and pigments, 142 (2017), 108-115. doi: 10.1016/j.dyepig.2017.03.021
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Maršavelski, Aleksandra ; Vianello, Robert | What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine // Chemistry : a European journal, 23 (2017), 12; 2915-2925. doi: 10.1002/chem.201605430
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Jug, Urška ; Pregeljc, Domen ; Mavri, Janez ; Vianello, Robert ; Stare, Jernej | Elementary SN2 reaction revisited. Effects of solvent and alkyl chain length on kinetics of halogen exchange in haloalkanes elucidated by Empirical Valence Bond simulation // Computational and theoretical chemistry, 1116 (2017), 96-101. doi: 10.1016/j.comptc.2017.02.003
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Leščić Ašler, Ivana ; Štefanić, Zoran ; Maršavelski, Aleksandra ; Vianello, Robert ; Kojić-Prodić, Biserka | Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning the Catalytic Process of Extracellular Lipase from Streptomyces rimosus // Acs chemical biology, 12 (2017), 7; 1928-1936. doi: 10.1021/acschembio.6b01140
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Lõkov, Märt ; Tshepelevitsh, Sofja ; Heering, Agnes ; Plieger, Paul G. ; Vianello, Robert ; Leito, Ivo | On the Basicity of Conjugated Nitrogen Heterocycles in Different Media // European journal of organic chemistry, 2017 (2017), 30; 4475-4489. doi: 10.1002/ejoc.201700749
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Ban, Željka ; Žinić, Biserka ; Vianello, Robert ; Schmuck, Carsten ; Piantanida, Ivo | Nucleobase–Guanidiniocarbonyl-Pyrrole Conjugates as Novel Fluorimetric Sensors for Single Stranded RNA // Molecules, 22 (2017), 12; 2213, 22. doi: 10.3390/molecules22122213
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Oanca, Gabriel ; Stare, Jernej ; Vianello, Robert ; Mavri, Janez | Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogs // European journal of pharmacology, 817 (2017), 46-50. doi: 10.1016/j.ejphar.2017.05.061
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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, 11 (2016), e0154002-e0154002. doi: 10.1371/journal.pone.0154002
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Škalamera, Đani ; Sanders, Ernest ; Vianello, Robert ; Maršavelski, Aleksandra ; Pevec, Andrej ; Turel, Iztok ; Kirin, Srećko I. | Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands // Dalton transactions, 45 (2016), 7; 2845-2858. doi: 10.1039/C5DT03387J
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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, 120 (2016), 44; 11419-11427. doi: 10.1021/acs.jpcb.6b09011
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Mavri, Janez ; Matute, Ricardo ; Chu, Zhen ; 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, 120 (2016), 14; 3488-3492. doi: 10.1021/acs.jpcb.6b00894
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Schwamm, Ryan J. ; Vianello, Robert ; Maršavelski, Aleksandra ; García, M. Ángeles ; Claramunt, Rosa M. ; Alkorta, Ibon ; Saame, Jaan ; Leito, Ivo ; Fitchett, Christopher M. ; Edwards, Alison J. et al. | 15N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases // Journal of organic chemistry, 81 (2016), 17; 7612-7625. doi: 10.1021/acs.joc.6b01330
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Pavlin, Matic ; Repič, Matej ; Vianello, Robert ; Mavri, Janez | The Chemistry of Neurodegeneration: Kinetic Data and Their Implications // Molecular neurobiology, 53 (2016), 3400-3415. doi: 10.1007/s12035-015-9284-1
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Maršavelski, Aleksandra ; Smrečki, Vilko ; Vianello, Robert ; Žinić, Mladen ; Moguš-Milanković, Andrea ; Šantić, Ana | Supramolecular Ionic-Liquid Gels with High Ionic Conductivity // Chemistry : a European journal, 21 (2015), 34; 12121-12128. doi: 10.1002/chem.201500887
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Saftić, Dijana ; Vianello, Robert ; Žinić, Biserka | 5-Triazolyluracils and Their N1-Sulfonyl Derivatives: Intriguing Reactivity Differences in the Sulfonation of Triazole N1'-Substituted and N1'-Unsubstituted Uracil Molecules // European journal of organic chemistry, 35 (2015), 7695-7704. doi: 10.1002/ejoc.201501088
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Maršavelski, Aleksandra ; Močibob, Marko ; Gruić- Sovulj, Ita ; Vianello, Robert | The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligase // PCCP. Physical chemistry chemical physics, 17 (2015), 29; 19030-19038. doi: 10.1039/C5CP03066H
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Picek, Igor ; Vianello, Robert ; Šket, Primož ; Plavec, Janez ; Foretić, Blaženka | Tandem β-Elimination/hetero-Michael Addition Rearrangement of the N-Alkylated Pyridinium Oxime to O-Alkylated Pyridine Oxime Ether : An Experimental and Computational Study // Journal of organic chemistry, 80 (2015), 4; 2165-2173. doi: 10.1021/jo5026755
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Repič, Matej ; Purg, Miha ; Vianello, Robert ; Mavri, Janez | Examining electrostatic preorganization in monoamine oxidases A and B by structural comparison and pKa calculations // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 118 (2014), 16; 4326-4332. doi: 10.1021/jp500795p
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Pirc, Gordana ; Stare, Jernej ; Mavri, Janez ; Vianello, Robert | Hydrogen bond dynamics of histamine monocation in aqueous solution: how geometric arameters influence the hydrogen bond strength // Croatica chemica acta, 87 (2014), 4; 397-405. doi: 10.5562/cca2512
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Repič, Matej ; Vianello, Robert ; Purg, Miha ; Duarte, Fernanda ; Bauer, Paul ; Kamerlin, Shina C. L. ; Mavri, Janez | Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine // Proteins, 82 (2014), 12; 3347-3355. doi: 10.1002/prot.24690
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Despotović, Ines ; Vianello, Robert | Engineering exceptionally strong oxygen superbases with 1, 8-diazanaphthalene di-N-oxides // Chemical communications, 50 (2014), 75; 10941-10944. doi: 10.1039/C4CC05125D
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Curpan, Ramona ; Avram, Sorin ; Vianello, Robert ; Bologa, Cristian | Exploring the biological promiscuity of high- throughput screening hits through DFT calculations // Bioorganic & medicinal chemistry, 22 (2014), 8; 2461-2461. doi: 10.1016/j.bmc.2014.02.055
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Pavlin, Matic ; Mavri, Janez ; Repič, Matej ; Vianello, Robert | Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor // Journal of neural transmission, 120 (2013), 6; 875-882. doi: 10.1007/s00702-013-1016-y
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Glušič, Martina ; Stare, Jernej ; Grdadolnik, Jože ; Vianello, Robert | Binding of cadmium dication to glutathione facilitates cysteine -SH deprotonation: A computational DFT study // Journal of inorganic biochemistry, 119 (2013), 90-94. doi: 10.1016/j.jinorgbio.2012.11.004
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Radić, Nena ; Despotović, Ines ; Vianello, Robert | Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles - An Interpretation by Triadic Analysis // Croatica chemica acta, 85 (2012), 4; 495-504. doi: 10.5562/cca2121
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Vianello, Robert ; Repič, Matej ; Mavri, Janez | How are Biogenic Amines Metabolized by Monoamine Oxidases? // European journal of organic chemistry, 2012 (2012), 36; 7057-7065. doi: 10.1002/ejoc.201201122
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Maksić, Zvonimir ; Kovačević, Borislav ; Vianello, Robert | Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation : A Theoretical Account // Chemical reviews, 112 (2012), 10; 5240-5270. doi: 10.1021/cr100458v
doipubs.acs.org -
Borštnar, Rok ; Repič, Matej ; Kamerlin, Shina Caroline Lynn ; Vianello, Robert ; Mavri, Janez | Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B // Journal of chemical theory and computation, 8 (2012), 10; 3864-3870. doi: 10.1021/ct300119u
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Vianello, Robert ; Mavri, Janez | Microsolvation of the histamine monocation in aqueous solution : the effect on structure, hydrogen bonding ability and vibrational spectrum // New journal of chemistry, 36 (2012), 954-962. doi: 10.1039/C2NJ20877F
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Vianello, Robert | Protonation of Azines and Purines as a Model for the Electrophilic Aromatic Substitution – Rationalization by Triadic Formula // Acta chimica slovenica, 58 (2011), 3; 509-520
acta.chem-soc.si -
Borštnar, Rok ; Repič, Matej ; Kržan, Mojca ; Mavri, Janez ; Vianello, Robert | Irreversible Inhibition of Monoamine Oxidase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational Study // European journal of organic chemistry, 2011 (2011), 32; 6419-6433. doi: 10.1002/ejoc.201100873
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Stare, Jernej ; Mavri, Janez ; Grdadolnik, Joze ; Zidar, Jernej ; Maksić, Zvonimir ; Vianello, Robert | Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: Car-Parrinello Molecular Dynamics and Vibrational Spectroscopy Study // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 115 (2011), 19; 5999-6010. doi: 10.1021/jp111175e
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Vianello, Robert ; Maksić, Zvonimir | Polycyano Derivatives of some Organic Tri- and Hexacyclic Molecules are Powerful Super- and Hyperacids in the Gas-Phase and DMSO - Computational Study by DFT Approach // Journal of organic chemistry, 75 (2010), 22; 7670-7681. doi: 10.1021/jo101581a
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Vianello, Robert ; Maksić, Zvonimir | The engineering of powerful non-ionic superacids in silico - a DFT-B3LYP study of open chain polycyanopolyenes // New journal of chemistry, 33 (2009), 4; 739-748. doi: 10.1039/b816922e
doiwww.rsc.org -
Coles, Martyn P. ; Aragon-Saez, Pedro J. ; Oakley, Sarah H. ; Hitchcock, Peter B. ; Davidson, Matthew G. ; Maksić, Zvonimir ; Vianello, Robert ; Leito, Ivo ; Kaljurand, Ivari ; Apperley, David C. | Superbasicity of a Bis-guanidino Compound with a Flexible Linker : A Theoretical and Experimental Study // Journal of the American Chemical Society, 131 (2009), 46; 16858-16868. doi: 10.1021/ja906618g
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Vianello, Robert | Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic Values // Croatica chemica acta, 82 (2009), 1; 27-39
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Vianello, Robert ; Maksić, Zvonimir | Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO - a density functional B3LYP study // New journal of chemistry, 32 (2008), 3; 413-427. doi: 10.1039/B713173A
doiwww.rsc.orgdoi.org Despotović, Ines ; Maksić, Zvonimir ; Vianello, Robert | Design of Bronsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]Carbonylradialenes // European journal of organic chemistry, 2007 (2007), 20; 3402-3413-x
Maksić, Zvonimir ; Vianello, Robert | The Physical Origin of Chemical Phenomena - Interpretation of Acidity, Basicity and Hydride Affinity by Trichotomy Paradigm // Pure and applied chemistry, 79 (2007), 6; 1003-1021-x
Vianello, Robert ; Peran, Nena ; Maksić, Zvonimir | Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic Formula // European journal of organic chemistry, 4 (2007), 526-539-x
Despotović, Ines ; Maksić, Zvonimir ; Vianello, Robert | Computational design of Bronsted neutral organic superbases - [3]iminoradialenes and quinonimines are important synthetic targets // New journal of chemistry, 31 (2007), 52-62-x
Vianello, Robert ; Maksić, Zvonimir | Aromaticity of Rees-type Hydrocarbons - a DFT Computational Study // Structural chemistry, 18 (2007), 6; 821-826-x
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Vianello, Robert ; Maksić, Zvonimir | Interpretation of Broensted Acidity by Triadic Paradigm: A G3 Study of Mineral Acids // The journal of physical chemistry. A, 111 (2007), 45; 11718-11724-x
pubs.acs.org Despotović, Ines ; Maksić, Zvonimir ; Vianello, Robert | Engineering Neutral Organic Bases and Superbases by Computational DFT Methods - Carbonyl Polyenes // European journal of organic chemistry, 24 (2006), 5505-5514-x
Vianello, Robert ; Peran, Nena ; Maksić, Zvonimir | Hydride Affinities of some Substituted Alkynes - Prediction by DFT Calculations and Rationalization by Triadic Formula // The journal of physical chemistry. A, 110 (2006), 47; 12870-12881-x
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Vianello, Robert ; Maskill, Howard ; Maksić, Zvonimir | Basicity of amines in the gas phase - Analysis of the base-strengthening effect of an N-trityl group by use of a triadic formula // European journal of organic chemistry, 11 (2006), 2581-2589-x
dx.doi.org Vianello, Robert ; Maksić, Zvonimir | Triadic analysis of substituent effects - gas-phase acidity of para-substituted phenols // Tetrahedron, 62 (2006), 3402-3411-x
Vianello, Robert ; Maksić, Zvonimir | Acidities of Azoles in the Gas Phase and in DMSO - An Ab Initio and DFT Study // Molecular physics, 103 (2005), 209-219-x
Vianello, Robert ; Maksić, Zvonimir | Gas-phase acidity of para-substituted benzoic acids - a triadic analysis of substituent effects // Journal of physical organic chemistry, 18 (2005), 699-705-x
Vianello, Robert ; Maksić, Zvonimir | Hydride Affinities of Borane Derivatives: Novel Approach in Determining the Origin of Lewis Acidity Based on Triadic Formula // Inorganic chemistry, 44 (2005), 1095-1102-x
Vianello, Robert ; Maksić, Zvonimir B. | High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations // Tetrahedron letters, 46 (2005), 3711-3713-x
Vianello, Robert ; Maksić, Zvonimir | Strong acidity of some polycyclic aromatics annelated to the cyclopentadiene moiety and their cyano derivatives - A density functional B3LYP study // European journal of organic chemistry, 16 (2005), 3571-3580-x
Vianello, Robert ; Maksić, Zvonimir | Extremal Acidity of Rees Polycyanated Hydrocarbons in the Gas Phase and DMSO - a Density Functional Study // Chemical communications, 27 (2005), 3412-3414-x
Vianello, Robert ; Maksić, Zvonimir | Towards highly powerful neutral organic superacids - a DFT study of some polycyano derivatives of planar hydrocarbons // Tetrahedron, 61 (2005), 39; 9381-9390-x
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Vianello, Robert ; Kovačević, Borislav ; Ambrožić, Gabriela ; Mavri, Janez ; Maksić, Zvonimir | Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds // Chemical physics letters, 400 (2004), 1-3; 117-121. doi: 10.1016/j.cplett.2004.10.089
doiwww.sciencedirect.comdoi.org Maksić, Zvonimir ; Vianello, Robert | Extending Acidity Ladder of Neutral Organic Superacids - A DFT-B3LYP Study of Deprotonation of Nonacyanofluorene // Tetrahedron letters, 45 (2004), 8663-8666-x
Vianello, Robert ; Maksić, Zvonimir | Acidity of Bronsted CH Acids in DMSO - The Extreme Acidity of Nonacyanocyclononatetraene // European journal of organic chemistry, 24 (2004), 5003-5010-x
Vianello, Robert ; Liebman, Joel F. ; Maksić, Zvonimir | In Search of Ultrastrong Bronsted Neutral Organic Superacids - A DFT Study of some Cyclopentadiene Derivatives // Chemistry : a European journal, 10 (2004), 5751-5761-x
Maksić, Zvonimir ; Vianello, Robert | Design of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Isobenzofulvene Derivatives // European journal of organic chemistry, 9 (2004), 1940-1945-x
Maksić, Zvonimir B. ; Vianello, Robert | Tailoring of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Fulvene Derivatives // New journal of chemistry, 28 (2004), 843-846-x
Barić, Danijela ; Maksić, Zvonimir B. ; Vianello, Robert | On the Atomic Additivity of the Zero Point Vibrational Energy in Molecules // Journal of molecular structure. Theochem, 1-3 (2004), 672; 201-207-x
Vianello, Robert ; Maksić, Zvonimir B. | A Combined Ab Initio and Density Functional Study of the Electronic Structure of Thymine and 2-Thiothymine Radicals // Collection of Czechoslovak chemical communications, 68 (2003), 12; 2322-2334-x
Vianello, Robert ; Kovačević, Borislav ; Maksić, Zvonimir B. | In Search for Neutral Organic Superbases - Iminopolyenes and Their Amino Derivatives // New journal of chemistry, 26 (2002), 1324-1328-x
Maksić, Zvonimir B. ; Vianello, Robert | Anionic vs. Neutral Protonation - An Ab Initio Analysis with a Triadic Formula // ChemPhysChem, 3 (2002), 8; 696-700-x
Maksić, Zvonimir B. ; Vianello, Robert | Quest for the Origin of Basicity: Initial vs. Final State Effect in Neutral Nitrogen Bases // The journal of physical chemistry. A, 106 (2002), 419-430-x
Maksić, Zvonimir B. ; Vianello, Robert | How Good is Koopmans' Approximation? - G2(MP2) Study of the Vertical and Adiabatic Ionization Potentials of Some Small Molecules // The journal of physical chemistry. A, 106 (2002), 6515-6520-x
Kovačević, Borislav ; Maksić, Zvonimir B. ; Vianello, Robert ; Primorac, Miljenko | Computer Aided Design of Organic Superbases - The Role of Intramolecular Hydrogen Bonding // New journal of chemistry, 26 (2002), 1329-1334-x
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Kovačević, Borislav ; Maksić, Zvonimir B. ; Vianello, Robert | The Proton Affinity of Some Extended pi-Systems Involving Guanidine and Cyclopropenimine Subunits // Journal of the Chemical Society. Perkin Transactions 2 (2001), - (2001), -; 886-891. doi: 10.1039/B101213O
doipubs.rsc.orgdoi.org
Ostalo
Margetić, Davor ; Vianello, Robert | Scientific Journey of Zvonimir Maksić // Croatica chemica acta, 82 (2009), CXIX-CXXXI
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Maksić, Zvonimir ; Vianello, Robert | Znanstvena izvrsnost i kompetitivnost // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 57 (2008), 3; 123-126
hrcak.srce.hr -
Maksić, Zvonimir ; Vianello, Robert ; Kovačević, Borislav | O znanstvenoj produktivnosti i kriterijima izvrsnosti // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 56 (2007), 4; 227-228
hrcak.srce.hr Maksić, Zvonimir ; Vianello, Robert | Comment on the paper "On the Limits of Highest-Occupied Molecular Orbital Driven Reactions: The Frontier Effective-for-Reaction Molecular Orbital Concept" // The journal of physical chemistry. A, 110 (2006), 10651-10652-x
Uvodnik
Margetić, Davor ; Vianello, Robert | Editorial // Croatica chemica acta, 82 (2009), CXVII-CXVII
Pregledni rad (znanstveni)
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Tshepelevitsh, Sofja ; Kütt, Agnes ; Lõkov, Märt ; Kaljurand, Ivari ; Saame, Jaan ; Heering, Agnes ; Plieger, Paul G. ; Vianello, Robert ; Leito, Ivo | On the Basicity of Organic Bases in Different Media // European journal of organic chemistry, 2019 (2019), 40; 6735-6748. doi: 10.1002/ejoc.201900956
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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, 10 (2016), 327, 24. doi: 10.3389/fnins.2016.00327
doifulir.irb.hrjournal.frontiersin.org
Publications - Conference journals
Sažetak izlaganja sa skupa
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Radić, Kristina; Miljak, Karolina; Jug, Mario; Vitali Čepo, Dubravka; Vianello, Robert; Vrban, Lucija | Improved Bioavailability of Alpha-Lipoic Acid Through Cyclodextrin Complexation: A Potential for Enhanced Obesity Treatment // Obesity Facts, 18, Suppl. 1, 2025. str. 168-168
karger.com
Publications - Conference unpublished
Neobjavljeni prilog sa skupa
Beč, Anja; Vianello, Robert; Cerić, Helena; Racané, Livio | Synthesis and substituent-dependent tautomerism of benzothiazolyl azo dyes derived from 2-naphthol // 12th ICNTC CONFERENCE: International Conference on New Trends in Chemistry 2026 Barcelona, Spain | Barcelona, Španjolska, 10.04.2026-12.04.2026
Racané, Livio; Beč, Anja; Ptiček, Lucija; Vianello, Robert | Ring opening of 5-benzothiazole in the Pinner reaction: An experimental and computational study // European Symposium on Organic Chemistry | Kopenhagen, Danska, 29.06.2025-03.07.2025
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Hranjec, Marijana ; Boček Pavlinac, Ida; Čikoš, Ana; Vianello, Robert | pH-Sensing Properties of Hydroxy-Substituted Imidazo[4,5-b]pyridine Acrylonitriles in Water: Experimental and Computational Study // INTERNATIONAL CONFERENCE ON SUSTAINABLE CHEMISTRY FOR NET ZERO | St Andrews, Ujedinjeno Kraljevstvo, 10.06.2025-13.06.2025
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Bakija, Marija; Perić, Berislav; Rinkovec, Tamara; Sanders, Ernest; Štefanić, Zoran; Vianello, Robert; Kirin, Srećko | Helical chirality in tetrahedral transition metal complexes of 2-aryl-(4S)-phenyl oxazolines // 2nd LUCES GLobal Action Meeting | Zadar, Hrvatska, 28.04.2025-29.04.2025
lucescostaction.com Bakija, Marija; Perić, Berislav; Vianello, Robert; Kirin, Srećko | Synthesis and characterization of transition metal complexes with chiral monodenate oxazoline ligands // 14th Inorganic & Bioinorganic Chemistry Conference | Lisabon, Portugal, 16.05.2024-18.05.2024
Bakija, Marija; Perić, Berislav; Vianello, Robert; Kirin, Srećko | Group 11 transition metal complexes of chiral monodentate oxazoline ligands // 8th EuCheMS Conference on Nitrogen Ligands | Cassis, Francuska, 03.06.2024-07.06.2024
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Vianello, Robert | With a little help from computer-aided drug design – new antitumor agents as tubulin polymerization inhibitors // IAPC-10 Meeting: Joint World Conferences on Physico Chemical Methods in Drug Discovery and Development and on ADMET and DMPK | Beograd, Srbija, 04.09.2023-06.09.2023
www.iapchem.org Vianello, Robert | Green, greener, in silico! The role of computational methods in chemistry // 4. Međunarodna ZORH konferencija znanstvenika, stručnih djelatnika i studenata na temu zaštite okoliša u Republici Hrvatskoj | Split, Hrvatska, 20.04.2023-21.04.2023
Sakač, Nikola ; Madunić-Čačić, Dubravka ; Marković, Dean ; Hok, Lucija ; Vianello, Robert ; Vrček, Valerije ; Pukleš, Iva ; Jozanović, Marija | Potentiometric Surfactant Sensor Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate // 5. Simpozij supramolekulske kemije | Zagreb, Hrvatska, 08.12.2022-08.12.2022
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Hok, Lucija ; Mavri, Janez ; Vianello, Robert | A computational insight into the effect of deuteration on the H2 receptor histamine binding profile // Virtual Winter School on Computational Chemistry 2022 | online, 21.02.2022-25.02.2022
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Hok, Lucija ; Mavri, Janez ; Vianello, Robert | The effect of deuteration on the histamine binding profile towards H2 receptor: A computational insight into the modified hydrogen bonding interactions // Brainhack Zagreb 2020 | online, 12.11.2020-12.11.2020
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Hok, Lucija ; Perin, Nataša ; Beč, Anja ; Persoons, Leentje ; Vanstreels, Els ; Daelemans, Dirk ; Vianello, Robert ; Hranjec, Marijana | N-substituted benzimidazoles as tubulin polymerization inhibitors // Virtual NGSymposium | online, 24.09.2020-25.09.2020
ngschool.eu Vianello, Robert | Računalom protiv neurodegenerativnih bolesti // 5. Simpozij studenata kemičara | Zagreb, Hrvatska, 27.10.2018-27.10.2018
Vianello, Robert | Mechanistic Studies of Monoamine Oxidases // International Summer School "Multiscale Molecular Simulation for Neurological Targets" | Ljubljana, Slovenija, 20.06.2018-20.06.2018
Horak, Ema ; Hranjec, Marijana ; Vianello, Robert ; Perin, Nataša ; Murković Steinberg, Ivana | Benzimidazole as a structural unit in optical chemical sensors: the hidden properties of a biologically privileged heterocyclic scaffold // 12th International Symposium on Macrocyclic and Supramolecular Chemistry in conjunction with ISACS | Cambridge, Ujedinjeno Kraljevstvo, 02.07.2017-06.07.2017
Vianello, Robert | The selectivity and catalytic mechanism of monoamine oxidase enzymes from multiscale computational simulations // Advancing the Frontiers of (Bio)Chemistry with Valence Bond Approaches | Uppsala, Švedska, 23.06.2016-25.06.2016
Maršavelski, Aleksandra; Stare, Jernej; Vianello, Robert | Computational study of the substrate specificity of monoamine oxidase B // Advancing the Frontiers of (Bio)Chemistry with Valence Bond Approaches | Uppsala, Švedska, 23.06.2016-25.06.2016
Vianello, Robert | Computational analysis of the enzyme catalysis – insight into the activity of monoamine oxidases // Computational Chemistry for Neurological Targets | Beograd, Srbija, 06.05.2015-08.05.2015
Maršavelski, Aleksandra ; Močibob, Marko ; Gruić-Sovulj, Ita ; Vianello, Robert | Computational investigations of the B. japonicum Gly:CP ligase 1 specificity towards amino acid substrate and aminoacyl carrier protein // AMBER Molecular dynamics workshop | Haifa, Izrael, 26.04.2015-30.04.2015
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Picek, Igor; Vianello, Robert; Zekan, Paulo; Foretić, Blaženka | Esterolytic activity of N-substituted pyridinium-4-oximes. // 24th Croatian Meeting of Chemists and Chemical Engineers (24HSKIKI) and 2nd Symposium Vladimir Prelog | Zagreb, Hrvatska, 21.04.2015-24.04.2015
www.hdki.hr Vianello, Robert | Computational Insight into the Catalytic Activity of Monoamine Oxidase for Targeting Neurological Diseases // 6th EuCheMS Organic Division Young Investigators Workshop | Larnaca, Cipar, 28.08.2014-30.08.2014
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Vianello, Robert | Računalom do novih superkiselina // Festival znanosti 2009 | Zagreb, Hrvatska, 20.04.2009-25.04.2009
www.festivalznanosti.hr
Publications - Graded papers
Diplomski rad (sveučilišni)
Perić, Lovorka | Computational Design of some Powerful Hydride Sponges / Maksić, Zvonimir (mentor); Vianello, Robert (neposredni voditelj) . | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2004
Vianello, Robert | Protonski afiniteti nekih derivata gvanidina / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2000
Doktorski rad
Hok, Lucija | Računalno određivanje utjecaja deuteriranja na vezanje liganada na adenozinski A2A receptor / Vianello, Robert (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2023
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Tandarić, Tana | Računalno istraživanje mehanizma ireverzibilne inhibicije enzima monoamin-oksidaze B / Vianello, Robert (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2021
repozitorij.pmf.unizg.hr -
Maršavelski, Aleksandra | Računalno ispitivanje katalitičke aktivnosti i selektivnosti aminskih oksidaza prema histaminu i N-metilhistaminu / Vianello, Robert (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2017
repozitorij.unizg.hr Peran, Nena | Računalno istraživanje kiselinsko-baznih svojstava alfa-aminokiselina u vodenim otopinama / Maksić, Zvonimir ; Vianello, Robert (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2010
Vianello, Robert | Interakcije Lewisovih kiselina i baza / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2003
Membership in professional associations / societies
national representative in the International Society of Theoretical Chemistry and Physics (from 2013)
member of the Croatian Chemical Society (from 2001)
member of the Croatian Society of Chemical Engineers (from 2006)
member of the Croatian Society of Theoretical and Mathematical Biology (from 2003)
Mentor of 5 PhD thesis and 6 Graduation thesis
member of the Editorial Board of Croatica Chemica Acta (from 2010), Frontiers in Chemical Biology (from 2013), and Advances in Chemistry (from 2013)
member of the Selection Committee of the NEWFELPRO programme for the mobility of experienced researchers in Croatia (2013–present)
member of the International Steering Committee of the "Central European Conference - Chemistry towards Biology" series of conferences (2012-present)
member of the Organizing Committee of the 5th Central European Conference – Chemistry towards Biology (Primošten, Croatia, 08–11 September 2010)