dr. sc. Robert Vianello
Laboratorij za računalni dizajn i sintezu funkcionalnih materijala
Bijenička cesta 54
HR-10000 Zagreb
Hrvatska
Obrazovanje
2010-2012 FP7 Marie Curie stipendist, Kemijski institut, Ljubljana, Slovenija (domaćin: dr. Janez Mavri)
2005 postdoktorand zaklade Alexander von Humboldt, Institut za organsku kemiju, Sveučilište u Heidelbergu, Njemačka (domaćin: prof. Rolf Gleiter)
05.11.2003. doktorat prirodnih znanosti – polje kemija, doktorska disertacija "Interakcije Lewisovih kiselina i baza". Mentor: Prof. Zvonimir Maksić
2001–2003 poslijediplomski studij fizikalne kemije, PMF, Sveučilište u Zagrebu
17.11.2000. diplomirani inženjer kemije, diplomski rad "Protonski afiniteti nekih derivata gvanidina". Mentor: Prof. Zvonimir Maksić
1996–2000 studij kemije, PMF, Sveučilište u Zagrebu
1992–1996 Prva sušačka hrvatska gimnazija, Rijeka
1984–1992 redovno osnovnoškolsko obrazovanje, O.Š. "Ivan Zajc", Rijeka
Projekti
2015-2019 "Dizajn i sinteza novih dušikovih heterocikličkih fluorofora i fluorescentnih nanomaterijala kao kemijskih senzora za pH i metalne ione"; istraživački projekt Hrvatske zaklade za znanost
2013-2017 "Computational Studies of the Biogenic Amines of the Brain for Targeting Neurological Diseases"; individualni FP7 Marie Curie Career Integration Grant (FP7-PEOPLE-2012-CIG natječaj)
2011-2014 "Broenstedove i Lewisove kiseline i baze u kemiji i biokemiji"; temeljni projekt MZOŠ-a
2010-2012 "Computational Studies of Proton Dynamics in Hydrogen Bonded Systems and Enzymes"; individualna FP7 Marie Curie stipendija (FP7-PEOPLE-2009-IEF natječaj) za 18 mjesečno poslijedoktorsko usavršavanje na Kemijskom institutu u Ljubljani (Slovenija)
2008-2010 "Računsko predviđanje strukture i katalitičke aktivnosti novih organskih superkiselina"; Fond "Jedinstvo uz pomoć znanja", Program za mlade znanstvenike i stručnjake, uz sufinanciranje tvrtke APO d.o.o. Zagreb
2009-2010 "Kiselo bazna i tautomerna svojstva biološki važnih spojeva u otopini"; hrvatsko-slovenski bilateralni projekt
2008-2009 "Amidna veza i njene implikacije u molekularnoj biologiji"; austrijsko-hrvatski bilateralni projekt
Nagrade i priznanja
2018 Godišnja nagrada Zaklade Branimir Jernej za izniman znanstveni rad objavljen u 2017. godini
2017 Državna nagrada za znanost za 2016. godinu u području prirodnih znanosti; Ministarstvo znanosti i obrazovanja i Sabor Republike Hrvatske
2015 Godišnja nagrada ravnatelja Instituta Ruđer Bošković za 2015. godinu za rad u časopisu s visokim faktorom utjecaja
2013 predstavljanje na službenoj stranici Europske komisije (http://www.croatia-in-the-eu.eu) kojom je najavljivan ulazak Republike Hrvatske u punopravno članstvo Europske Unije
2012 "Marie Curie uspješna priča", predstavljanje projekta između 23 odabrane individualne stipendije u publikaciji Europske komisije "EU FP7 People Specific Programme Success Stories Booklet"
2012 Godišnja nagrada ravnatelja Instituta Ruđer Bošković za 2012. godinu za rad u časopisu s visokim faktorom utjecaja
2010 "50.000-ti Marie Curie stipendist", nagrada Europske komisije dvadesetpetorici korisnika Marie Curie stipendije
2010 Godišnja nagrada ravnateljice Instituta Ruđer Bošković za 2010. godinu za projekt s visokim financiranjem
2010 Nagrada "Perspektivni znanstvenik" Centra za primjenjenu kvantnu mehaniku iz Pariza (Francuska)
2008 Godišnja nagrada Zaklade Hrvatske akademije znanosti i umjetnosti za 2008. godinu za razvijanje znanstvenoistraživačkog i umjetničkog rada
2007 Nagrada "Leopold Ružička" Hrvatskog kemijskog društva za 2006. godinu
2006 Državna nagrada za znanost za 2005. godinu znanstvenim novacima u području prirodnih znanosti; Ministarstvo znanosti, obrazovanja i športa i Sabor Republike Hrvatske
2004 Godišnja nagrada Društva sveučilišnih nastavnika i drugih znanstvenika u Zagrebu za znanstveni rad iz kemije na području prirodnih znanosti
2004 Stipendija zaklade Alexander von Humboldt za tromjesečni boravak na University of Heidelberg (Njemačka)
2004 Javno priznanje Grada Rijeke – Godišnja nagrada Grada Rijeke u 2004. godini za stvaralački rad i ostvarenja u području kemije tijekom 2002. i 2003. godine
1995 Nagrada za postignute rezultate u oblasti tehničke kulture i promociju grada Rijeke za 1995. godinu; Zajednica tehničke kulture i Grad Rijeka
1993–2000 Stipendist Grada Rijeke
Istaknute publikacije
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.
Publikacije - Uredničke knjige
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
Zbornik sažetaka s konferencije
Simpozij o katalizi u farmaceutskoj industriji : knjiga sažetaka / Majerić Elenkov, Maja ; Vianello, Robert ; Kirin, Srećko (ur.). Zagreb: Institut Ruđer Bošković, 2023
Publikacije - prilozi u knjigama
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
doionlinelibrary.wiley.com
Publikacije - prilozi u časopisima
Izvorni znanstveni rad
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Vrban, Lucija; Vianello, Robert | Prominent Neuroprotective Potential of Indole-2-N-methylpropargylamine: High Affinity and Irreversible Inhibition Efficiency towards Monoamine Oxidase B Revealed by Computational Scaffold Analysis // Pharmaceuticals, 17 (2024), 10; 1292, 20. doi: 10.3390/ph17101292
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Pavić, Kristina; Poje, Goran; Pessanha de Carvalho, Lais; Tandarić, Tana; Marinović, Marina; Fontinha, Diana; Held, Jana; Prudêncio, Miguel; Piantanida, Ivo; Vianello, Robert et al. | Discovery of harmiprims, harmine-primaquine hybrids, as potent and selective anticancer and antimalarial compounds // Bioorganic & medicinal chemistry, 105 (2024), 117734, 16. doi: 10.1016/j.bmc.2024.117734
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Matić, Josipa; Piotrowski, Patryciusz; Vrban, Lucija; Kobetić, Renata; Vianello, Robert; Jurić, Ivona; Fabijanić, Ivana; Pernar Kovač, Margareta; Brozovic, Anamaria; Piantanida, Ivo et al. | Distinctive Nucleic Acid Recognition by Lysine-Embedded Phenanthridine Peptides // International journal of molecular sciences, 25 (2024), 9; 4866, 28. doi: 10.3390/ijms25094866
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Beč, Anja; Persoons, Leentje; Daelemans, Dirk; Starčević, Kristina; Vianello, Robert; Hranjec, Marijana | Biological activity and computational analysis of novel acrylonitrile derived benzazoles as potent antiproliferative agents for pancreatic adenocarcinoma with antioxidative properties // Bioorganic chemistry, 147 (2024), 107326, 16. doi: 10.1016/j.bioorg.2024.107326
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Jakopec, Silvio; Pantalon Juraj, Natalija; Jadreško, Dijana; Vianello, Robert; Brozović, Anamaria; Tadić, Vanja; Milić, Lea; Perić, Berislav; Raić-Malić, Silvana; Kirin, Srećko I. | Late transition metal complexes of ferrocene-containing nitrogen ligands: Coordination chemistry, electron transfer properties, and tumor cell viability // Applied organometallic chemistry, 38 (2024), 5; e7415, 26. doi: 10.1002/aoc.7415
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Boček Pavlinac, Ida; Persoons, Leentje; Daelemans, Dirk; Starčević, Kristina; Vianello, Robert; Hranjec, Marijana | Novel acrylonitrile derived imidazo[4,5-b]pyridines as antioxidants and potent antiproliferative agents for pancreatic adenocarcinoma // International journal of biological macromolecules, 266 (2024), Part 2; 131239, 16. doi: 10.1016/j.ijbiomac.2024.131239
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Tolić Čop, Kristina; Perin, Nataša; Hranjec, Marijana; Runje, Mislav; Vianello, Robert; Gazivoda Kraljević, Tatjana; Mutavdžić Pavlović, Dragana | Insight into the degradation of amino substituted benzimidazo[1,2-a]quinolines via a combined experimental and density functional theory study // Journal of pharmaceutical and biomedical analysis, 237 (2024), 115767, 12. doi: 10.1016/j.jpba.2023.115767
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Novak Jovanović, Ivana; Vianello, Robert; Jadreško, Dijana; Racané, Livio; Hranjec, Marijana | Electrochemical oxidation and superoxide radical scavenging activity of 2-hydroxy/methoxy-phenylbenzothiazole derivatives // Journal of electroanalytical chemistry (1992), 947 (2023), 117787, 11. doi: 10.1016/j.jelechem.2023.117787
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Beč, Anja; Vianello, Robert; Hranjec, Marijana | Synthesis and spectroscopic characterization of multifunctional D-π-A benzimidazole derivatives as potential pH sensors // Journal of molecular liquids, 386 (2023), 122493, 11. doi: 10.1016/j.molliq.2023.122493
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Jasprica, Ivona ; Horvat, Petar ; Zrnc, Katarina ; Bonney, Karl J. ; Bjornstad, Vidar ; Hok, Lucija ; Vianello, Robert ; Bregović, Nikola ; Požar, Josip ; Leko, Katarina et al. | Utilization of a kinetic isotope effect to decrease decomposition of ceftriaxone in a mixture of D2O/H2O // European journal of pharmaceutical sciences, 187 (2023), 106461, 18. doi: 10.1016/j.ejps.2023.106461
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Hok, Lucija ; Vianello, Robert | Selective Deuteration Improves the Affinity of Adenosine A2A Receptor Ligands: A Computational Case Study with Istradefylline and Caffeine // Journal of chemical information and modeling, 63 (2023), 10; 3138-3149. doi: 10.1021/acs.jcim.3c00424
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Beč, Anja; Racané, Livio; Žonja, Lucija; Persoons, Leentje; Daelemans, Dirk; Starčević, Kristina; Vianello, Robert; Hranjec, Marijana | Biological evaluation of novel amidino substituted coumarin-benzazole hybrids as promising therapeutic agents // RSC medicinal chemistry, 14 (2023), 5; 957-968. doi: 10.1039/D3MD00055A
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Matić, Josipa ; Tandarić, Tana ; Radić Stojković, Marijana ; Šupljika, Filip ; Karačić, Zrinka ; Tomašić Paić, Ana ; Horvat, Lucija ; Vianello, Robert ; Tumir, Lidija-Marija | Phenanthridine–pyrene conjugates as fluorescent probes for DNA/RNA and an inactive mutant of dipeptidyl peptidase enzyme // Beilstein journal of organic chemistry, 19 (2023), 550-565. doi: 10.3762/bjoc.19.40
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Alizadeh, Abdolali ; Bagherinejad, Akram ; Kayanian, Jasmine ; Vianello, Robert | An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control // RSC Advances, 12 (2022), 54; 34946-34950. doi: 10.1039/d2ra05704b
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Sakač, Nikola ; Madunić-Čačić, Dubravka ; Marković , Dean ; Hok, Lucija ; Vianello, Robert ; Vrček, Valerije ; Šarkanj, Bojan ; Đurin, Bojan ; Della Ventura , Bartolomeo ; Velotta, Raffaele et al. | Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate // Chemosensors, 10 (2022), 12; 523, 14. doi: 10.3390/chemosensors10120523
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Pantalon Juraj, Natalija ; Tandarić, Tana ; Tadić, Vanja ; Perić, Berislav ; Moreth, Dominik ; Schatzschneider, Ulrich ; Brozovic, Anamaria ; Vianello, Robert ; Kirin, Srećko I. | Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(II) and Cu(II) complexes // Dalton transactions, 51 (2022), 44; 17008-17021. doi: 10.1039/d2dt02895f
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Radović, Mia ; Hok, Lucija ; Panić, Manuela ; Cvjetko Bubalo, Marina ; Vianello, Robert ; Vinković, Marijana ; Radojčić Redovniković, Ivana | Deep eutectic solvents as a stabilising medium for NAD coenzyme: unravelling the mechanism behind coenzyme stabilisation effect // Green chemistry, 24 (2022), 19; 7661-7674. doi: 10.1039/d2gc02656b
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Hok, Lucija ; Vianello, Robert ; Matković- Čalogović, Dubravka ; Karanović, Ljiljana ; Roca, Sunčica ; Jaźwiński, Jarosław ; Tašner, Marina ; Vušak, Darko ; Đaković, Marijana ; Popović, Zora | A series of nickel(II) thiocyanate complexes comprising various molar contents of isonicotinamide and water as ligands or co- crystallized moieties – an experimental and computational study // Crystengcomm, 24 (2022), 37; 6564-6578. doi: 10.1039/d2ce00847e
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Mehić, Emina ; Hok, Lucija ; Wang, Qian ; Dokli, Irena ; Svetec Miklenić, Marina ; Findrik Blažević, Zvjezdana ; Tang, Lixia ; Vianello, Robert ; Majerić Elenkov, Maja | Expanding the scope of enantioselective halohydrin dehalogenases – group B // Advanced synthesis & catalysis, 364 (2022), 15; 2576-2588. doi: 10.1002/adsc.202200342
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Boček, Ida ; Hok, Lucija ; Persoons, Leentje ; Daelemans, Dirk ; Vianello, Robert ; Hranjec, Marijana | Imidazo[4,5-b]pyridine derived tubulin polymerization inhibitors: Design, synthesis, biological activity in vitro and computational analysis // Bioorganic chemistry, 127 (2022), 106032, 13. doi: 10.1016/j.bioorg.2022.106032
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Poje, Goran ; Pessanha de Carvalho, Lais ; Held, Jana ; Moita, Diana ; Prudêncio, Miguel ; Perković, Ivana ; Tandarić, Tana ; Vianello, Robert ; Rajić, Zrinka | Design and synthesis of harmiquins, harmine and chloroquine hybrids as potent antiplasmodial agents // European journal of medicinal chemistry, 238 (2022), 114408, 15. doi: 10.1016/j.ejmech.2022.114408
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Alizadeh, Abdolali ; Bagherinejad, Akram ; Kayanian, Jasmine ; Vianello, Robert | An experimental and computational study of new spiro-barbituric acid pyrazoline scaffolds: restricted rotation vs. annular tautomerism // New journal of chemistry, 46 (2022), 15; 7242-7252. doi: 10.1039/d1nj06208e
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Boček, Ida ; Hranjec, Marijana ; Vianello, Robert | Imidazo[4,5-b]pyridine derived iminocoumarins as potential pH probes: Synthesis, spectroscopic and computational studies of their protonation equilibria // Journal of molecular liquids, 355 (2022), 118982, 12. doi: 10.1016/j.molliq.2022.118982
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Hok, Lucija ; Rimac, Hrvoje ; Mavri, Janez ; Vianello, Robert | COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes // Computational and structural biotechnology journal, 20 (2022), 1254-1263. doi: 10.1016/j.csbj.2022.02.020
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Maršavelski, Aleksandra ; Mavri, Janez ; Vianello, Robert ; Stare, Jernej | Why monoamine oxidase B preferably metabolizes N-methylhistamine over histamine: evidence from the multiscale simulation of the rate-limiting step // International journal of molecular sciences, 23 (2022), 3; 1910, 15. doi: 10.3390/ijms23031910
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Camacho-Mojica, Dulce C. ; Ha, Jong-Kwon ; Min, Seung Kyu ; Vianello, Robert ; Ruoff, Rodney S. | Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116 // PCCP. Physical chemistry chemical physics, 24 (2022), 3470-3477. doi: 10.1039/d1cp04177k
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Perin, Nataša ; Babić, Darko ; Kassal, Petar ; Čikoš, Ana ; Hranjec, Marijana ; Vianello, Robert | Spectroscopic and computational study of the protonation equilibria of amino-substituted benzo[b]thieno[2,3-b]pyrido[1,2-a]benzimidazoles as novel pH-sensing materials // Chemosensors, 10 (2022), 1; 21, 15. doi: 10.3390/chemosensors10010021
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Štefan, Leo ; Čikoš, Ana ; Vianello, Robert ; Đilović, Ivica ; Matković-Čalogović, Dubravka ; Dumić, Miljenko | Chemistry of Spontaneous Alkylation of Methimazole with 1,2-Dichloroethane // Molecules, 26 (2021), 22; 7032, 21. doi: 10.3390/molecules26227032
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Hranjec, Marijana ; Horak, Ema ; Babić, Darko ; Plavljanin, Sanela ; Srdović, Zrinka ; Murković Steinberg, Ivana ; Vianello, Robert ; Perin, Nataša | Fluorescent benzimidazo[1,2-a]quinolines: synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivity // New journal of chemistry, 41 (2017), 1; 358-371. doi: 10.1039/c6nj02268e
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Beč, Anja ; Hok, Lucija ; Persoons, Leentje ; Vanstreels, Els ; Daelemans, Dirk ; Vianello, Robert ; Hranjec, Marijana | Synthesis, computational analysis, and antiproliferative activity of novel benzimidazole acrylonitriles as tubulin polymerization inhibitors: Part 2 // Pharmaceuticals, 14 (2021), 10; 1052, 26. doi: 10.3390/ph14101052
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Boček, Ida ; Starčević, Kristina ; Novak Jovanović, Ivana ; Vianello, Robert ; Hranjec, Marijana | Novel imidazo[4,5-b]pyridine derived acrylonitriles: A combined experimental and computational study of their antioxidative potential // Journal of molecular liquids, 342 (2021), 117527, 14. doi: 10.1016/j.molliq.2021.117527
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Marinović, Marina ; Poje, Goran ; Perković, Ivana ; Fontinha, Diana ; Prudêncio, Miguel ; Held, Jana ; Pessanha de Carvalho, Lais ; Tandarić, Tana ; Vianello, Robert ; Rajić, Zrinka | Further investigation of harmicines as novel antiplasmodial agents: synthesis, structure-activity relationship and insight into the mechanism of action // European journal of medicinal chemistry, 224 (2021), 113687, 20. doi: 10.1016/j.ejmech.2021.113687
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Sakač, Nikola ; Madunić-Čačić, Dubravka ; Marković, Dean ; Hok, Lucija ; Vianello, Robert ; Šarkanj, Bojan ; Đurin, Bojan ; Hajdek, Krunoslav ; Smoljan, Božo ; Milardović, Stjepan et al. | Potentiometric surfactant sensor based on 1,3-dihexadecyl-1H-benzo[d]imidazol-3-ium for anionic surfactants in detergents and household care products // Molecules, 26 (2021), 12; 3627, 14. doi: 10.3390/molecules26123627
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Bistrović Popov, Andrea ; Vianello, Robert ; Grbčić, Petra ; Sedić, Mirela ; Kraljević Pavelić, Sandra ; Pavelić, Krešimir ; Raić-Malić, Silvana | Novel bis- and mono-pyrrolo[2,3-d]pyrimidine and purine derivatives: Synthesis, computational analysis and antiproliferative evaluation // Molecules, 26 (2021), 11; 3334, 26. doi: 10.3390/molecules26113334
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Matić, Josipa ; Jukić, Marijana ; Ismaili, Hamit ; Saftić, Dijana ; Ban, Željka ; Tandarić, Tana ; Vianello, Robert ; Opačak-Bernardi, Teuta ; Glavaš-Obrovac, Ljubica ; Žinić, Biserka | 6-Morpholino- and 6-amino-9-sulfonylpurine derivatives. Synthesis, computational analysis, and biological activity // Nucleosides, nucleotides & nucleic acids, 40 (2021), 4; 470-503. doi: 10.1080/15257770.2021.1896001
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Hok, Lucija ; Lluch Sanchez, Eloi ; Vianello, Robert ; Kukovec, Boris-Marko ; Popović, Zora | Self‐assembly of cobalt(II) coordination polymers with differently halosubstituted nicotinate ligands and 4,4’‐bipyridine – the effect of the halosubstituent positions on polymer types // European journal of inorganic chemistry, 2021 (2021), 15; 1470-1480. doi: 10.1002/ejic.202100055
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Ptiček, Lucija ; Hok, Lucija ; Grbčić, Petra ; Topić, Filip ; Cetina, Mario ; Rissanen, Kari ; Kraljević Pavelić, Sandra ; Vianello, Robert ; Racané, Livio | Amidino substituted 2-aminophenols: biologically important building blocks for the amidino- functionalization of 2-substituted benzoxazoles // Organic & biomolecular chemistry, 19 (2021), 2784-2793. doi: 10.1039/d1ob00235j
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Hok, Lucija ; Vianello, Robert | Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction Mechanism // International journal of molecular sciences, 22 (2021), 6; 3193, 16. doi: 10.3390/ijms22063193
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Prah, Alja ; Purg, Miha ; Stare, Jernej ; Vianello, Robert ; Mavri, Janez | How monoamine oxidase a decomposes serotonin: an empirical valence bond simulation of the reactive step // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 124 (2020), 38; 8259-8265. doi: 10.1021/acs.jpcb.0c06502
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Perin, Nataša ; Hok, Lucija ; Beč, Anja ; Persoons, Leentje ; Vanstreels, Els ; Daelemans, Dirk ; Vianello, Robert ; Hranjec, Marijana | N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: Synthesis, biological activity and computational analysis // European journal of medicinal chemistry, 211 (2021), 113003, 14. doi: 10.1016/j.ejmech.2020.113003
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Hok, Lucija ; Mavri, Janez ; Vianello, Robert | The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions // Molecules, 25 (2020), 24; 6017, 17. doi: 10.3390/molecules25246017
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Rowlands, Gareth J. ; Severinsen, Rebecca J. ; Buchanan, Jenna K. ; Shaffer, Karl J. ; Jameson, Heather T. ; Thennakoon, Nishani ; Leito, Ivo ; Lõkov, Märt ; Kütt, Agnes ; Vianello, Robert et al. | Synthesis and Basicity Studies of Quinolino[7,8‑h]quinoline Derivatives // Journal of organic chemistry, 85 (2020), 11297-11308. doi: 10.1021/acs.joc.0c01428
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Roca, Sunčica ; Hok, Lucija ; Vianello, Robert ; Borovina, Mladen ; Đaković, Marijana ; Karanović, Ljiljana ; Vikić-Topić, Dražen ; Popović, Zora | The role of non-covalent intermolecular interactions on the diversity of crystal packing in supramolecular dihalopyridine–silver(I) nitrate complexes // Crystengcomm, 22 (2020), 7962-7974. doi: 10.1039/d0ce01257b
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Marinović, Marina ; Perković, Ivana ; Fontinha, Diana ; Prudêncio, Miguel ; Held, Jana ; Pessanha de Carvalho, Lais ; Tandarić, Tana ; Vianello, Robert ; Zorc, Branka ; Rajić, Zrinka | Novel Harmicines with Improved Potency against Plasmodium // Molecules, 25 (2020), 19; 4376, 19. doi: 10.3390/molecules25194376
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Tandarić, Tana ; Prah, Alja ; Stare, Jernej ; Mavri, Janez ; Vianello, Robert | Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study // International journal of molecular sciences, 21 (2020), 17; 6151, 13. doi: 10.3390/ijms21176151
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Rimac, Hrvoje ; Tandarić, Tana ; Vianello, Robert ; Bojić, Mirza | Indomethacin increases quercetin affinity for human serum albumin: a combined experimental and computational study and its broader implications // International journal of molecular sciences, 21 (2020), 16; 5740, 14. doi: 10.3390/ijms21165740
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Pantalon Juraj, Natalija ; Krklec, Marko ; Novosel, Tiana ; Perić, Berislav ; Vianello, Robert ; Raić-Malić, Silvana ; Kirin, Srećko | Copper(II) and zinc(II) complexes of mono- and bis-1,2,3-triazole substituted heterocyclic ligands // Dalton transactions, 49 (2020), 26; 9002-9015. doi: 10.1039/d0dt01244k
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Foretić, Blaženka ; Damjanović, Vladimir ; Vianello, Robert ; Picek, Igor | Novel insights into the thioesterolytic activity of N-substituted pyridinium-4-oximes // Molecules, 25 (2020), 10; 2385, 16. doi: 10.3390/molecules25102385
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Valadbeigi, Younes ; Vianello, Robert | Is It Possible to Achieve Organic Superbases beyond the Basicity Limit Using Tetrahedrane Scaffolds? // ChemistrySelect, 5 (2020), 19; 5794-5798. doi: 10.1002/slct.202001407
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Pregeljc, Domen ; Teodorescu-Perijoc, Diana ; Vianello, Robert ; Umek, Nejc ; Mavri, Janez | How Important Is the Use of Cocaine and Amphetamines in the Development of Parkinson Disease? A Computational Study // Neurotoxicity research, 37 (2020), 724-731. doi: 10.1007/s12640-019-00149-0
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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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 ; 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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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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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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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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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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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
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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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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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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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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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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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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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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 ; 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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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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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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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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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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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
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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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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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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
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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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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
doipubs.acs.orgpubs.acs.org -
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 | 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 -
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 -
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 Vianello, Robert ; Maksić, Zvonimir | Aromaticity of Rees-type Hydrocarbons - a DFT Computational Study // Structural chemistry, 18 (2007), 6; 821-826-x
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
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
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 Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic Formula // European journal of organic chemistry, 4 (2007), 526-539-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 | Towards highly powerful neutral organic superacids - a DFT study of some polycyano derivatives of planar hydrocarbons // Tetrahedron, 61 (2005), 39; 9381-9390-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 | 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 B. | High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations // Tetrahedron letters, 46 (2005), 3711-3713-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 | Gas-phase acidity of para-substituted benzoic acids - a triadic analysis of substituent effects // Journal of physical organic chemistry, 18 (2005), 699-705-x
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 ; 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 ; 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
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
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
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
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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 ; 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 | Znanstvena izvrsnost i kompetitivnost // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 57 (2008), 3; 123-126
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
doionlinelibrary.wiley.comdoi.org -
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
Prikaz, osvrt, kritika
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Vianello, Robert ; Kirin, Srećko I. | Inovativna rješenja u katalitičkim proizvodnim procesima za potrebe farmaceutske industrije (CAT PHARMA) // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 70 (2021), 11-12; 756-757
silverstripe.fkit.hrhrcak.srce.hrfulir.irb.hr
Pregledni rad (stručni)
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Hok, Lucija ; Šakić, Davor ; Vrček, Valerije ; Vianello, Robert | Farmaceutski značaj procesa stereoizomerizacije // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, (2023), 1-2; 55-64. doi: 10.15255/kui.2022.027
doisilverstripe.fkit.hrsilverstripe.fkit.hrhrcak.srce.hrfulir.irb.hr
Publikacije - prilozi sa skupa (neobjavljeni)
Neobjavljeni prilog sa skupa
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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
www.cinam.univ-mrs.fr -
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 // 4th Meeting of scientists, professionals and students on the topic of environmental protection in the Republic of Croatia (4th ZORH) | 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
winterschool.cc -
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
brainhackzg.github.io -
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 (SISK5) | 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
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
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
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
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
Publikacije - ocjenski radovi
Diplomski rad
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
Doktorska disertacija
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
Članstva u profesionalnim udrugama / društvima
nacionalni predstavnik u International Society of Theoretical Chemistry and Physics (od 2013.)
član Hrvatskog kemijskog društva (od 2001.)
član Hrvatskog društva kemijskih inženjera i tehnologa (od 2006.)
član Hrvatskog društva za teorijsku i matematičku biologiju (od 2003.)
mentor 5 doktorskih dizertacija i neposredni voditelj 6 diplomskih radova
član Uredništva časopisa Croatica Chemica Acta (2010– ), Frontiers in Chemical Biology (2013- ) i Advances in Chemistry (2013- )
član Selekcijskog odbora NEWFELPRO projekta stipendiranja i mobilnosti za iskusne istraživače u Hrvatskoj (2013- )
član međunarodnog Upravnog odbora "Central European Conference - Chemistry towards Biology" dvogodišnje serije konferencija (2012- )
član organizacijskog odbora međunarodne konferencije "5th Central European Conference – Chemistry towards Biology" (Primošten, Hrvatska; 08–11.09.2010.)