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
Knjige i poglavlja u knjigama
Poglavlja u knjigama
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Horak, E., Vianello, R. & Murković Steinberg, I. (2019) Optical Sensing (Nano)Materials Based on Benzimidazole Derivatives. U: Marinescu, M. (ur.) Chemistry and Applications of Benzimidazole and its Derivatives. London : Delhi, IntechOpen, str. 184-205 doi:10.5772/intechopen.85643.
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Vianello, R. & Mavri, J. (2017) EVB simulation of the catalytic activity of monoamine oxidases: from chemical physics to neurodegeneration. U: Duarte, F. & Kamerlin, S. (ur.) Theory and applications of the empirical valence bond approach: from physical chemistry to chemical biology. Chichester, John Wiley & Sons, str. 199-231 doi:10.1002/9781119245544.ch8.
Radovi u časopisima
Znanstveni i pregledni radovi
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Matić, J., Tandarić, T., Radić Stojković, M., Šupljika, F., Karačić, Z., Tomašić Paić, A., Horvat, L., Vianello, R. & Tumir, L. (2023) Phenanthridine–pyrene conjugates as fluorescent probes for DNA/RNA and an inactive mutant of dipeptidyl peptidase enzyme. Beilstein journal of organic chemistry, 19, 550-565 doi:10.3762/bjoc.19.40.
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Hok, L., Šakić, D., Vrček, V. & Vianello, R. (2023) Farmaceutski značaj procesa stereoizomerizacije. Kemija u industriji : časopis kemičara i tehnologa Hrvatske, (1-2), 55-64 doi:10.15255/kui.2022.027.
doisilverstripe.fkit.hrsilverstripe.fkit.hrhrcak.srce.hrfulir.irb.hr
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Alizadeh, A., Bagherinejad, A., Kayanian, J. & Vianello, R. (2022) An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control. RSC Advances, 12 (54), 34946-34950 doi:10.1039/d2ra05704b.
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Sakač, N., Madunić-Čačić, D., Marković , D., Hok, L., Vianello, R., Vrček, V., Šarkanj, B., Đurin, B., Della Ventura , B., Velotta, R. & Jozanović, M. (2022) Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate. Chemosensors, 10 (12), 523, 14 doi:10.3390/chemosensors10120523.
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Pantalon Juraj, N., Tandarić, T., Tadić, V., Perić, B., Moreth, D., Schatzschneider, U., Brozovic, A., Vianello, R. & Kirin, S. (2022) Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(II) and Cu(II) complexes. Dalton transactions, 51 (44), 17008-17021 doi:10.1039/d2dt02895f.
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Radović, M., Hok, L., Panić, M., Cvjetko Bubalo, M., Vianello, R., Vinković, M. & Radojčić Redovniković, I. (2022) Deep eutectic solvents as a stabilising medium for NAD coenzyme: unravelling the mechanism behind coenzyme stabilisation effect. Green chemistry, 24 (19), 7661-7674 doi:10.1039/d2gc02656b.
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Hok, L., Vianello, R., Matković- Čalogović, D., Karanović, L., Roca, S., Jaźwiński, J., Tašner, M., Vušak, D., Đaković, M. & Popović, Z. (2022) 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 (37), 6564-6578 doi:10.1039/d2ce00847e.
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Mehić, E., Hok, L., Wang, Q., Dokli, I., Svetec Miklenić, M., Findrik Blažević, Z., Tang, L., Vianello, R. & Majerić Elenkov, M. (2022) Expanding the scope of enantioselective halohydrin dehalogenases – group B. Advanced synthesis & catalysis, 364 (15), 2576-2588 doi:10.1002/adsc.202200342.
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Boček, I., Hok, L., Persoons, L., Daelemans, D., Vianello, R. & Hranjec, M. (2022) Imidazo[4,5-b]pyridine derived tubulin polymerization inhibitors: Design, synthesis, biological activity in vitro and computational analysis. Bioorganic chemistry, 127, 106032, 13 doi:10.1016/j.bioorg.2022.106032.
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Poje, G., Pessanha de Carvalho, L., Held, J., Moita, D., Prudêncio, M., Perković, I., Tandarić, T., Vianello, R. & Rajić, Z. (2022) Design and synthesis of harmiquins, harmine and chloroquine hybrids as potent antiplasmodial agents. European journal of medicinal chemistry, 238, 114408, 15 doi:10.1016/j.ejmech.2022.114408.
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Alizadeh, A., Bagherinejad, A., Kayanian, J. & Vianello, R. (2022) An experimental and computational study of new spiro-barbituric acid pyrazoline scaffolds: restricted rotation vs. annular tautomerism. New journal of chemistry, 46 (15), 7242-7252 doi:10.1039/d1nj06208e.
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Boček, I., Hranjec, M. & Vianello, R. (2022) 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, 118982, 12 doi:10.1016/j.molliq.2022.118982.
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Hok, L., Rimac, H., Mavri, J. & Vianello, R. (2022) 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, 1254-1263 doi:10.1016/j.csbj.2022.02.020.
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Maršavelski, A., Mavri, J., Vianello, R. & Stare, J. (2022) 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 (3), 1910, 15 doi:10.3390/ijms23031910.
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Camacho-Mojica, D., Ha, J., Min, S., Vianello, R. & Ruoff, R. (2022) Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116. PCCP. Physical chemistry chemical physics, 24, 3470-3477 doi:10.1039/d1cp04177k.
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Perin, N., Babić, D., Kassal, P., Čikoš, A., Hranjec, M. & Vianello, R. (2022) 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 (1), 21, 15 doi:10.3390/chemosensors10010021.
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Štefan, L., Čikoš, A., Vianello, R., Đilović, I., Matković-Čalogović, D. & Dumić, M. (2021) Chemistry of Spontaneous Alkylation of Methimazole with 1,2-Dichloroethane. Molecules, 26 (22), 7032, 21 doi:10.3390/molecules26227032.
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Beč, A., Hok, L., Persoons, L., Vanstreels, E., Daelemans, D., Vianello, R. & Hranjec, M. (2021) Synthesis, computational analysis, and antiproliferative activity of novel benzimidazole acrylonitriles as tubulin polymerization inhibitors: Part 2. Pharmaceuticals, 14 (10), 1052, 26 doi:10.3390/ph14101052.
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Boček, I., Starčević, K., Novak Jovanović, I., Vianello, R. & Hranjec, M. (2021) Novel imidazo[4,5-b]pyridine derived acrylonitriles: A combined experimental and computational study of their antioxidative potential. Journal of molecular liquids, 342, 117527, 14 doi:10.1016/j.molliq.2021.117527.
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Marinović, M., Poje, G., Perković, I., Fontinha, D., Prudêncio, M., Held, J., Pessanha de Carvalho, L., Tandarić, T., Vianello, R. & Rajić, Z. (2021) 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, 113687, 20 doi:10.1016/j.ejmech.2021.113687.
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Sakač, N., Madunić-Čačić, D., Marković, D., Hok, L., Vianello, R., Šarkanj, B., Đurin, B., Hajdek, K., Smoljan, B., Milardović, S., Matasović, B. & Jozanović, M. (2021) 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 (12), 3627, 14 doi:10.3390/molecules26123627.
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Bistrović Popov, A., Vianello, R., Grbčić, P., Sedić, M., Kraljević Pavelić, S., Pavelić, K. & Raić-Malić, S. (2021) Novel bis- and mono-pyrrolo[2,3-d]pyrimidine and purine derivatives: Synthesis, computational analysis and antiproliferative evaluation. Molecules, 26 (11), 3334, 26 doi:10.3390/molecules26113334.
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Matić, J., Jukić, M., Ismaili, H., Saftić, D., Ban, Ž., Tandarić, T., Vianello, R., Opačak-Bernardi, T., Glavaš-Obrovac, L. & Žinić, B. (2021) 6-Morpholino- and 6-amino-9-sulfonylpurine derivatives. Synthesis, computational analysis, and biological activity. Nucleosides, nucleotides & nucleic acids, 40 (4), 470-503 doi:10.1080/15257770.2021.1896001.
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Hok, L., Lluch Sanchez, E., Vianello, R., Kukovec, B. & Popović, Z. (2021) 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 (15), 1470-1480 doi:10.1002/ejic.202100055.
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Ptiček, L., Hok, L., Grbčić, P., Topić, F., Cetina, M., Rissanen, K., Kraljević Pavelić, S., Vianello, R. & Racané, L. (2021) Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles. Organic & biomolecular chemistry, 19, 2784-2793 doi:10.1039/d1ob00235j.
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Hok, L. & Vianello, R. (2021) Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction Mechanism. International journal of molecular sciences, 22 (6), 3193, 16 doi:10.3390/ijms22063193.
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Perin, N., Hok, L., Beč, A., Persoons, L., Vanstreels, E., Daelemans, D., Vianello, R. & Hranjec, M. (2021) N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: Synthesis, biological activity and computational analysis. European journal of medicinal chemistry, 211, 113003, 14 doi:10.1016/j.ejmech.2020.113003.
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Prah, A., Purg, M., Stare, J., Vianello, R. & Mavri, J. (2020) 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 (38), 8259-8265 doi:10.1021/acs.jpcb.0c06502.
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Hok, L., Mavri, J. & Vianello, R. (2020) The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions. Molecules, 25 (24), 6017, 17 doi:10.3390/molecules25246017.
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Rowlands, G., Severinsen, R., Buchanan, J., Shaffer, K., Jameson, H., Thennakoon, N., Leito, I., Lõkov, M., Kütt, A., Vianello, R., Despotović, I., Radić, N. & Plieger, P. (2020) Synthesis and Basicity Studies of Quinolino[7,8‑h]quinoline Derivatives. Journal of organic chemistry, 85, 11297-11308 doi:10.1021/acs.joc.0c01428.
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Roca, S., Hok, L., Vianello, R., Borovina, M., Đaković, M., Karanović, L., Vikić-Topić, D. & Popović, Z. (2020) The role of non-covalent intermolecularinteractions on the diversity of crystal packing insupramolecular dihalopyridine–silver(I) nitratecomplexes. Crystengcomm, 22, 7962-7974 doi:10.1039/d0ce01257b.
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Marinović, M., Perković, I., Fontinha, D., Prudêncio, M., Held, J., Pessanha de Carvalho, L., Tandarić, T., Vianello, R., Zorc, B. & Rajić, Z. (2020) Novel Harmicines with Improved Potency against Plasmodium. Molecules, 25 (19), 4376, 19 doi:10.3390/molecules25194376.
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Tandarić, T., Prah, A., Stare, J., Mavri, J. & Vianello, R. (2020) 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 (17), 6151, 13 doi:10.3390/ijms21176151.
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Rimac, H., Tandarić, T., Vianello, R. & Bojić, M. (2020) Indomethacin increases quercetin affinity for human serum albumin: a combined experimental and computational study and its broader implications. International journal of molecular sciences, 21 (16), 5740, 14 doi:10.3390/ijms21165740.
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Pantalon Juraj, N., Krklec, M., Novosel, T., Perić, B., Vianello, R., Raić-Malić, S. & Kirin, S. (2020) Copper(II) and zinc(II) complexes of mono- and bis-1,2,3-triazole substituted heterocyclic ligands. Dalton transactions, 49 (26), 9002-9015 doi:10.1039/d0dt01244k.
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Foretić, B., Damjanović, V., Vianello, R. & Picek, I. (2020) Novel insights into the thioesterolytic activity of N-substituted pyridinium-4-oximes. Molecules, 25 (10), 2385, 16 doi:10.3390/molecules25102385.
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Valadbeigi, Y. & Vianello, R. (2020) Is It Possible to Achieve Organic Superbases beyond the Basicity Limit Using Tetrahedrane Scaffolds?. ChemistrySelect, 5 (19), 5794-5798 doi:10.1002/slct.202001407.
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Pregeljc, D., Teodorescu-Perijoc, D., Vianello, R., Umek, N. & Mavri, J. (2020) How Important Is the Use of Cocaine and Amphetamines in the Development of Parkinson Disease? A Computational Study. Neurotoxicity research, 37, 724-731 doi:10.1007/s12640-019-00149-0.
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Pantalon Juraj, N., Muratović, S., Perić, B., Šijaković Vujičić, N., Vianello, R., Žilić, D., Jagličić, Z. & Kirin, S. (2020) Structural variety of isopropyl-bis(2-picolyl)amine complexes with zinc(II) and copper(II). Crystal growth & design, 20 (4), 2440-2453 doi:10.1021/acs.cgd.9b01625.
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Kržan, M., Keuschler, J., Mavri, J. & Vianello, R. (2020) Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration. Biomolecules, 10 (2), 196, 10 doi:10.3390/biom10020196.
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Perković, I., Raić-Malić, S., Fontinha, D., Prudêncio, M., Pessanha de Carvalho, L., Held, J., Tandarić, T., Vianello, R., Zorc, B. & Rajić, Z. (2020) Harmicines − harmine and cinnamic acid hybrids as novel antiplasmodial hits. European journal of medicinal chemistry, 187, 111927, 16 doi:10.1016/j.ejmech.2019.111927.
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Horak, E., Babić, D., Vianello, R., Perin, N., Hranjec, M. & Murković Steinberg, I. (2020) 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, 117588, 15 doi:10.1016/j.saa.2019.117588.
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Pantalon Juraj, N., Miletić, G., Perić, B., Popović, Z., Smrečki, N., Vianello, R. & Kirin, S. (2019) Stereochemistry of Hexacoordinated Zn(II), Cu(II), Ni(II), and Co(II) Complexes with Iminodiacetamide Ligands. Inorganic chemistry, 58 (24), 16445-16457 doi:10.1021/acs.inorgchem.9b02200.
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Tandarić, T., Hok, L. & Vianello, R. (2019) From Hydrogen Peroxide-Responsive Boronated Nucleosides Towards Antisense Therapeutics – A Computational Mechanistic Study. Croatica chemica acta, 92 (2), 287-295 doi:10.5562/cca3592.
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Valadbeigi, Y. & Vianello, R. (2019) 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 (10), e3995, 10 doi:10.1002/poc.3995.
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Tshepelevitsh, S., Kütt, A., Lõkov, M., Kaljurand, I., Saame, J., Heering, A., Plieger, P., Vianello, R. & Leito, I. (2019) On the Basicity of Organic Bases in Different Media. European journal of organic chemistry, 2019 (40), 6735-6748 doi:10.1002/ejoc.201900956.
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Cindrić, M., Sović, I., Mioč, M., Hok, L., Boček, I., Roškarić, P., Butković, K., Martin-Kleiner, I., Starčević, K., Vianello, R., Kralj, M. & Hranjec, M. (2019) Experimental and computational study of the antioxidative potential of novel nitro and amino substituted benzimidazole/benzothiazole-2-carboxamides with antiproliferative activity. Antioxidants, 8 (10), 477, 22 doi:10.3390/antiox8100477.
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Toma, M., Božičević, L., Lapić, J., Djaković, S., Šakić, D., Tandarić, T., Vianello, R. & Vrček, V. (2019) Transacylation in Ferrocenoyl-Purines. NMR and Computational Study of the Isomerization Mechanism. Journal of organic chemistry, 84 (19), 12471-12480 doi:10.1021/acs.joc.9b01944.
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Tandarić, T. & Vianello, R. (2019) 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 (8), 3532-3542 doi:10.1021/acschemneuro.9b00147.
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Matić, J., Šupljika, F., Tandarić, T., Dukši, M., Piotrowski, P., Vianello, R., Brozović, A., Piantanida, I., Schmuck, C. & Radić Stojković, M. (2019) DNA/RNA recognition controlled by the glycine linker and the guanidine moiety of phenanthridine peptides. International journal of biological macromolecules, 134, 422-434 doi:10.1016/j.ijbiomac.2019.05.063.
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Horak, E., Robić, M., Šimanović, A., Mandić, V., Vianello, R., Hranjec, M. & Murković Steinberg, I. (2019) Tuneable solid-state emitters based on benzimidazole derivatives: aggregation induced red emission and mechanochromism of D-π-A fluorophores. Dyes and pigments, 162, 688-696 doi:10.1016/j.dyepig.2018.10.069.
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Valadbeigi, Y. & Vianello, R. (2018) 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 (21), e25754, 10 doi:10.1002/qua.25754.
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Foretić, B., Vianello, R., Matković-Čalogović, D., Jadreško, D. & Picek, I. (2018) Supramolecular inter-ionic charge-transfer complexes between derivatives of pyridinium-4-oxime cations and hexacyanoferrate(II) anions. New journal of chemistry, 42, 16115-16126 doi:10.1039/c8nj03066a.
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Perin, N., Roškarić, P., Sović, I., Boček, I., Starčević, K., Hranjec, M. & Vianello, R. (2018) Amino-substituted benzamide derivatives as promising antioxidant agents: a combined experimental and computational study. Chemical research in toxicology, 31 (9), 974-984 doi:10.1021/acs.chemrestox.8b00175.
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Maršavelski, A., Petrović, D., Bauer, P., Vianello, R. & Kamerlin, S. (2018) Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase. ACS Omega, 3 (4), 3665-3674 doi:10.1021/acsomega.8b00346.
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Tandarić, T. & Vianello, R. (2018) 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, Molecules, spectroscopy, kinetics, environment, & general theory, 122 (5), 1464-1471 doi:10.1021/acs.jpca.7b11945.
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Dabić, D., Brkljačić, L., Tandarić, T., Žinić, M., Vianello, R., Frkanec, L. & Kobetić, R. (2018) 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 (1), 103-113 doi:10.1007/s13361-017-1834-5.
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Horak, E., Vianello, R., Hranjec, M. & Murković Steinberg, I. (2018) Colourimetric and fluorimetric metal ion chemosensor based on a benzimidazole functionalised Schiff base. Supramolecular chemistry, 30 (10), 891-900 doi:10.1080/10610278.2018.1436708.
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Hranjec, M., Horak, E., Babić, D., Plavljanin, S., Srdović, Z., Murković Steinberg, I., Vianello, R. & Perin, N. (2017) Fluorescent benzimidazo[1,2-a]quinolines: synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivity. New journal of chemistry, 41 (1), 358-371 doi:10.1039/c6nj02268e.
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Oanca, G., Stare, J., Vianello, R. & Mavri, J. (2017) Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogs. European journal of pharmacology, 817, 46-50 doi:10.1016/j.ejphar.2017.05.061.
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Ban, Ž., Žinić, B., Vianello, R., Schmuck, C. & Piantanida, I. (2017) Nucleobase–Guanidiniocarbonyl-Pyrrole Conjugates as Novel Fluorimetric Sensors for Single Stranded RNA. Molecules, 22 (12), 2213, 22 doi:10.3390/molecules22122213.
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Jug, U., Pregeljc, D., Mavri, J., Vianello, R. & Stare, J. (2017) 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, 96-101 doi:10.1016/j.comptc.2017.02.003.
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Lõkov, M., Tshepelevitsh, S., Heering, A., Plieger, P., Vianello, R. & Leito, I. (2017) On the Basicity of Conjugated Nitrogen Heterocycles in Different Media. European journal of organic chemistry, 2017 (30), 4475-4489 doi:10.1002/ejoc.201700749.
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Leščić Ašler, I., Štefanić, Z., Maršavelski, A., Vianello, R. & Kojić-Prodić, B. (2017) 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 (7), 1928-1936 doi:10.1021/acschembio.6b01140.
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Maršavelski, A. & Vianello, R. (2017) What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine. Chemistry : a European journal, 23 (12), 2915-2925 doi:10.1002/chem.201605430.
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Horak, E., Hranjec, M., Vianello, R. & Murković Steinberg, I. (2017) Reversible pH switchable aggregation-induced emission of self-assembled benzimidazole-based acrylonitrile dye in aqueous solution. Dyes and pigments, 142, 108-115 doi:10.1016/j.dyepig.2017.03.021.
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Horak, E., Vianello, R., Hranjec, M., Krištafor, S., Karminski Zamola, G. & Murković Steinberg, I. (2017) 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, 225-233 doi:10.1016/j.saa.2017.02.011.
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Gregorić, T., Sedić, M., Grbčić, P., Tomljenović Paravić, A., Kraljević Pavelić, S., Cetina, M., Vianello, R. & Raić-Malić, S. (2017) 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, 1247-1267 doi:10.1016/j.ejmech.2016.11.028.
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Poberžnik, M., Purg, M., Repič, M., Mavri, J. & Vianello, R. (2016) 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 (44), 11419-11427 doi:10.1021/acs.jpcb.6b09011.
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Vianello, R., Domene, C. & Mavri, J. (2016) 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, 327, 24 doi:10.3389/fnins.2016.00327.
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Pavlin, M., Repič, M., Vianello, R. & Mavri, J. (2016) The Chemistry of Neurodegeneration: Kinetic Data and Their Implications. Molecular neurobiology, 53, 3400-3415 doi:10.1007/s12035-015-9284-1.
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Schwamm, R., Vianello, R., Maršavelski, A., García, M., Claramunt, R., Alkorta, I., Saame, J., Leito, I., Fitchett, C., Edwards, A. & Coles, M. (2016) 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 (17), 7612-7625 doi:10.1021/acs.joc.6b01330.
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Kržan, M., Vianello, R., Maršavelski, A., Repič, M., Zakšek, M., Kotnik, K., Fijan, E. & Mavri, J. (2016) The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands. PLoS One, 11, e0154002-e0154002 doi:10.1371/journal.pone.0154002.
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Mavri, J., Matute, R., Chu, Z. & Vianello, R. (2016) 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 (14), 3488-3492 doi:10.1021/acs.jpcb.6b00894.
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Škalamera, Đ., Sanders, E., Vianello, R., Maršavelski, A., Pevec, A., Turel, I. & Kirin, S. (2016) Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands. Dalton transactions, 45 (7), 2845-2858 doi:10.1039/C5DT03387J.
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Maršavelski, A., Smrečki, V., Vianello, R., Žinić, M., Moguš-Milanković, A. & Šantić, A. (2015) Supramolecular Ionic-Liquid Gels with High Ionic Conductivity. Chemistry : a European journal, 21 (34), 12121-12128 doi:10.1002/chem.201500887.
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Saftić, D., Vianello, R. & Žinić, B. (2015) 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, 7695-7704 doi:10.1002/ejoc.201501088.
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Maršavelski, A., Močibob, M., Gruić- Sovulj, I. & Vianello, R. (2015) The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligase. Physical Chemistry Chemical Physics, 17 (29), 19030-19038 doi:10.1039/C5CP03066H.
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Picek, I., Vianello, R., Šket, P., Plavec, J. & Foretić, B. (2015) 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 (4), 2165-2173 doi:10.1021/jo5026755.
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Pirc, G., Stare, J., Mavri, J. & Vianello, R. (2014) Hydrogen bond dynamics of histamine monocation in aqueous solution: how geometric arameters influence the hydrogen bond strength. Croatica chemica acta, 87 (4), 397-405 doi:10.5562/cca2512.
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Repič, M., Vianello, R., Purg, M., Duarte, F., Bauer, P., Kamerlin, S. & Mavri, J. (2014) Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine. Proteins, 82 (12), 3347-3355 doi:10.1002/prot.24690.
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Despotović, I. & Vianello, R. (2014) Engineering exceptionally strong oxygen superbases with 1, 8-diazanaphthalene di-N-oxides. Chemical communications, 50 (75), 10941-10944 doi:10.1039/C4CC05125D.
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Curpan, R., Avram, S., Vianello, R. & Bologa, C. (2014) Exploring the biological promiscuity of high- throughput screening hits through DFT calculations. Bioorganic & medicinal chemistry, 22 (8), 2461-2461 doi:10.1016/j.bmc.2014.02.055.
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Repič, M., Purg, M., Vianello, R. & Mavri, J. (2014) 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 (16), 4326-4332 doi:10.1021/jp500795p.
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Pavlin, M., Mavri, J., Repič, M. & Vianello, R. (2013) Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor. Journal of neural transmission, 120 (6), 875-882 doi:10.1007/s00702-013-1016-y.
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Glušič, M., Stare, J., Grdadolnik, J. & Vianello, R. (2013) Binding of cadmium dication to glutathione facilitates cysteine -SH deprotonation: A computational DFT study. Journal of inorganic biochemistry, 119, 90-94 doi:10.1016/j.jinorgbio.2012.11.004.
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Radić, N., Despotović, I. & Vianello, R. (2012) Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles - An Interpretation by Triadic Analysis. Croatica chemica acta, 85 (4), 495-504 doi:10.5562/cca2121.
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Vianello, R., Repič, M. & Mavri, J. (2012) How are Biogenic Amines Metabolized by Monoamine Oxidases?. European journal of organic chemistry, 2012 (36), 7057-7065 doi:10.1002/ejoc.201201122.
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Maksić, Z., Kovačević, B. & Vianello, R. (2012) Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation : A Theoretical Account. Chemical reviews, 112 (10), 5240-5270 doi:10.1021/cr100458v.
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Borštnar, R., Repič, M., Kamerlin, S., Vianello, R. & Mavri, J. (2012) 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 (10), 3864-3870 doi:10.1021/ct300119u.
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Vianello, R. & Mavri, J. (2012) Microsolvation of the histamine monocation in aqueous solution : the effect on structure, hydrogen bonding ability and vibrational spectrum. New journal of chemistry, 36, 954-962 doi:10.1039/C2NJ20877F.
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Borštnar, R., Repič, M., Kržan, M., Mavri, J. & Vianello, R. (2011) Irreversible Inhibition of Monoamine Oxidase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational Study. European journal of organic chemistry, 2011 (32), 6419-6433 doi:10.1002/ejoc.201100873.
- Vianello, R. (2011) Protonation of Azines and Purines as a Model for the Electrophilic Aromatic Substitution – Rationalization by Triadic Formula. Acta chimica Slovenica, 58 (3), 509-520.
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Stare, J., Mavri, J., Grdadolnik, J., Zidar, J., Maksić, Z. & Vianello, R. (2011) 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 (19), 5999-6010 doi:10.1021/jp111175e.
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Vianello, R. & Maksić, Z. (2010) 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 (22), 7670-7681 doi:10.1021/jo101581a.
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Coles, M., Aragon-Saez, P., Oakley, S., Hitchcock, P., Davidson, M., Maksić, Z., Vianello, R., Leito, I., Kaljurand, I. & Apperley, D. (2009) Superbasicity of a Bis-guanidino Compound with a Flexible Linker : A Theoretical and Experimental Study. Journal of the American Chemical Society, 131 (46), 16858-16868 doi:10.1021/ja906618g.
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Vianello, R. (2009) Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic Values. Croatica Chemica Acta, 82 (1), 27-39.
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Vianello, R. & Maksić, Z. (2009) The engineering of powerful non-ionic superacids in silico - a DFT-B3LYP study of open chain polycyanopolyenes. New Journal of Chemistry, 33 (4), 739-748 doi:10.1039/b816922e.
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Vianello, R. & Maksić, Z. (2008) 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 (3), 413-427 doi:10.1039/B713173A.
- Vianello, R. & Maksić, Z. (2007) Interpretation of Broensted Acidity by Triadic Paradigm: A G3 Study of Mineral Acids. Journal of Physical Chemistry A, 111 (45), 11718-11724.
- Vianello, R. & Maksić, Z. (2007) Aromaticity of Rees-type Hydrocarbons - a DFT Computational Study. Structural Chemistry, 18 (6), 821-826.
- Despotović, I., Maksić, Z. & Vianello, R. (2007) 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 (20), 3402-3413.
- Maksić, Z. & Vianello, R. (2007) The Physical Origin of Chemical Phenomena - Interpretation of Acidity, Basicity and Hydride Affinity by Trichotomy Paradigm. Pure and Applied Chemistry, 79 (6), 1003-1021.
- Despotović, I., Maksić, Z. & Vianello, R. (2007) Computational design of Bronsted neutral organic superbases - [3]iminoradialenes and quinonimines are important synthetic targets. New Journal of Chemistry, 31, 52-62.
- Vianello, R., Peran, N. & Maksić, Z. (2007) Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic Formula. European Journal of Organic Chemistry, 4, 526-539.
- Despotović, I., Maksić, Z. & Vianello, R. (2006) Engineering Neutral Organic Bases and Superbases by Computational DFT Methods - Carbonyl Polyenes. European Journal of Organic Chemistry, 24, 5505-5514.
- Vianello, R., Peran, N. & Maksić, Z. (2006) Hydride Affinities of some Substituted Alkynes - Prediction by DFT Calculations and Rationalization by Triadic Formula. The Journal of Physical Chemistry A, 110 (47), 12870-12881.
- Vianello, R., Maskill, H. & Maksić, Z. (2006) 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, 2581-2589.
- Vianello, R. & Maksić, Z. (2006) Triadic analysis of substituent effects - gas-phase acidity of para-substituted phenols. Tetrahedron, 62, 3402-3411.
- Vianello, R. & Maksić, Z. (2005) Towards highly powerful neutral organic superacids - a DFT study of some polycyano derivatives of planar hydrocarbons. Tetrahedron, 61 (39), 9381-9390.
- Vianello, R. & Maksić, Z. (2005) Extremal Acidity of Rees Polycyanated Hydrocarbons in the Gas Phase and DMSO - a Density Functional Study. Chemical communications, 27, 3412-3414.
- Vianello, R. & Maksić, Z. (2005) 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, 3571-3580.
- Vianello, R. & Maksić, Z. (2005) High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations. Tetrahedron letters, 46, 3711-3713.
- Vianello, R. & Maksić, Z. (2005) Hydride Affinities of Borane Derivatives: Novel Approach in Determining the Origin of Lewis Acidity Based on Triadic Formula. Inorganic Chemistry, 44, 1095-1102.
- Vianello, R. & Maksić, Z. (2005) Gas-phase acidity of para-substituted benzoic acids - a triadic analysis of substituent effects. Journal of physical organic chemistry, 18, 699-705.
- Vianello, R. & Maksić, Z. (2005) Acidities of Azoles in the Gas Phase and in DMSO - An Ab Initio and DFT Study. Molecular physics, 103, 209-219.
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Vianello, R., Kovačević, B., Ambrožić, G., Mavri, J. & Maksić, Z. (2004) Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds. Chemical physics letters, 400 (1-3), 117-121 doi:10.1016/j.cplett.2004.10.089.
- Maksić, Z. & Vianello, R. (2004) Extending Acidity Ladder of Neutral Organic Superacids - A DFT-B3LYP Study of Deprotonation of Nonacyanofluorene. Tetrahedron letters, 45, 8663-8666.
- Vianello, R. & Maksić, Z. (2004) Acidity of Bronsted CH Acids in DMSO - The Extreme Acidity of Nonacyanocyclononatetraene. European journal of organic chemistry, 24, 5003-5010.
- Vianello, R., Liebman, J. & Maksić, Z. (2004) In Search of Ultrastrong Bronsted Neutral Organic Superacids - A DFT Study of some Cyclopentadiene Derivatives. Chemistry-A European Journal, 10, 5751-5761.
- Maksić, Z. & Vianello, R. (2004) Design of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Isobenzofulvene Derivatives. European Journal of Organic Chemistry, 9, 1940-1945.
- Maksić, Z. & Vianello, R. (2004) Tailoring of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Fulvene Derivatives. New journal of chemistry, 28, 843-846.
- Barić, D., Maksić, Z. & Vianello, R. (2004) On the Atomic Additivity of the Zero Point Vibrational Energy in Molecules. Journal of molecular structure. Theochem, 1-3 (672), 201-207.
- Vianello, R. & Maksić, Z. (2003) A Combined Ab Initio and Density Functional Study of the Electronic Structure of Thymine and 2-Thiothymine Radicals. Collection of Czechoslovak chemical communications, 68 (12), 2322-2334.
- Kovačević, B., Maksić, Z., Vianello, R. & Primorac, M. (2002) Computer Aided Design of Organic Superbases - The Role of Intramolecular Hydrogen Bonding. New Journal of Chemistry, 26, 1329-1334.
- Maksić, Z. & Vianello, R. (2002) How Good is Koopmans' Approximation? - G2(MP2) Study of the Vertical and Adiabatic Ionization Potentials of Some Small Molecules. Journal of Physical Chemistry A, 106, 6515-6520.
- Vianello, R., Kovačević, B. & Maksić, Z. (2002) In Search for Neutral Organic Superbases - Iminopolyenes and Their Amino Derivatives. New Journal of Chemistry, 26, 1324-1328.
- Maksić, Z. & Vianello, R. (2002) Anionic vs. Neutral Protonation - An Ab Initio Analysis with a Triadic Formula. ChemPhysChem, 3 (8), 696-700.
- Maksić, Z. & Vianello, R. (2002) Quest for the Origin of Basicity: Initial vs. Final State Effect in Neutral Nitrogen Bases. Journal of Physical Chemistry A, 106, 419-430.
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Kovačević, B., Maksić, Z. & Vianello, R. (2001) The Proton Affinity of Some Extended pi-Systems Involving Guanidine and Cyclopropenimine Subunits. Journal of the Chemical Society. Perkin Transactions 2, - (-), 886-891 doi:10.1039/B101213O.
Ocjenski radovi
Doktorske disertacije
- Vianello, R. (2003) 'Interakcije Lewisovih kiselina i baza', doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb.
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.)