dr. sc. Borislav Kovačević
Zavod za fizičku kemiju
Institut Ruđer Bošković
POB 180
10002 Zagreb
Croatia
Obrazovanje
Dipl. inž. kemije, Prirodoslovno-matematički fakultet, Sveučilište u Zagrebu 1995.
Magistar kemijskih znanosti, Sveučilište u Zagrebu, 1999.
Doktor kemijskih znanosti, Sveučilište u Zagrebu, 2001.
Nagrade i priznanja
Državna nagrada za znanstvene novake i mlade znanstvenike, 2003.
Nagrada ''Lavoslav Ružička'', Hrvatsko kemijsko društvo, 2004.
Istaknute publikacije
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Publikacije
Radovi u časopisima
Znanstveni i pregledni radovi
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Glasovac, Z. & Kovačević, B. (2022) Modeling pKa of the Brønsted Bases as an Approach to the Gibbs Energy of the Proton in Acetonitrile. International journal of molecular sciences, 23 (18), 10576-10592 doi:10.3390/ijms231810576.
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Vazdar, K., Margetić, D., Kovačević, B., Sundermeyer, J., Leito, I. & Jahn, U. (2021) Design of Novel Uncharged Organic Superbases: Merging Basicity and Functionality. Accounts of Chemical Research, 54 (15), 3108-3123 doi:10.1021/acs.accounts.1c00297.
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Bilić, L., Barić, D., Sandala, G., Smith, D. & Kovačević, B. (2021) Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol Dehydratase. Chemistry : a European journal, 27 (29), 7930-7941 doi:10.1002/chem.202100416.
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Schorr, P., Kovačević, B. & Volmer, D. (2021) Overestimation of 3α- over 3β-25-Hydroxyvitamin D3 Levels in Serum: A Mechanistic Rationale for the Different Mass Spectral Properties of the Vitamin D Epimers. Journal of the American Society for Mass Spectrometry, 32 (4), 1116-1125 doi:10.1021/jasms.1c00054.
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Kögel, J., Ullrich, S., Kovačević, B., Wagner, S. & Sundermeyer, J. (2020) Mono‐Phosphazenyl Phosphines (R 2 N) 3 P=N–P(NR 2 ) 2 – Strong P‐Bases, P‐Donors, and P‐Nucleophiles for the Construction of Chelates. Zeitschrift für anorganische und allgemeine Chemie, 646 (13), 923-932 doi:10.1002/zaac.202000108.
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Ullrich, S., Kovačević, B., Koch, B., Harms, K. & Sundermeyer, J. (2019) Design of non-ionic carbon superbases: second generation carbodiphosphoranes. Chemical Science, 10 (41), 9483-9492 doi:10.1039/c9sc03565f.
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Ullrich, S., Barić, D., Xie, X., Kovačević, B. & Sundermeyer, J. (2019) Basicity Enhancement by Multiple Intramolecular Hydrogen Bonding in Organic Superbase N, N′, N″, N‴-Tetrakis(3- (dimethylamino)propyl)triaminophosphazene. Organic letters, 21 (22), 9142-9146 doi:10.1021/acs.orglett.9b03521.
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Ullrich, S., Kovačević, B., Xie, X. & Sundermeyer, J. (2019) Phosphazenyl Phosphines: The Most Electron-Rich Uncharged Phosphorus Brønsted and Lewis Bases. Angewandte Chemie. International edition, 58 (30), 10335-10339 doi:10.1002/anie.201903342.
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Bilić, L., Barić, D., Banhatti, R., Smith, D. & Kovačević, B. (2019) Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 123 (29), 6178-6187 doi:10.1021/acs.jpcb.9b04071.
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Saadat, K., Shiri, A. & Kovačević, B. (2018) Substituted troponimines: when aromatization of the conjugate acid leads to very strong neutral organic superbases. New journal of chemistry, 42 (17), 14568-14575 doi:10.1039/c8nj02349b.
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Rzagalinski, I., Kovačević, B., Hainz, N., Meier, C., Tschernig, T. & Volmer, D. (2018) Toward Higher Sensitivity in Quantitative MALDI Imaging Mass Spectrometry of CNS Drugs Using a Nonpolar Matrix. Analytical chemistry, 90 (21), 12592-12600 doi:10.1021/acs.analchem.8b02740.
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Kovačević, B., Barić, D., Babić, D., Bilić, L., Hanževački, M., Sandala, G., Radom, L. & Smith, D. (2018) Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12. Journal of the American Chemical Society, 140 (27), 8487-8496 doi:10.1021/jacs.8b03109.
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Tomin, M., Tomić, A., Kovačević, B. & Tomić, S. (2018) The Mechanism of Peptide Hydrolysis Catalysed by Dipeptidyl Peptidase III from Bacteroides thetaiotaomicron. Croatica chemica acta, 91 (2), 187-193 doi:10.5562/cca3343.
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Kokan, Z., Kovačević, B., Štefanić, Z., Tzvetkova, P. & Kirin, S. (2018) Controlling Orthogonal Self-Assembly through Cis-Trans Isomerization of a Non-Covalent Palladium Complex Dimer. Chemical communications, 54 (17), 2094-2097 doi:10.1039/C7CC09537F.
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Kogel, J., Kovačević, B., Ullrich, S., Xie, X. & Sundermeyer, J. (2017) Chelating P2-Bis-phosphazenes with a (R, R)-1, 2- Diaminocyclohexane Skeleton : Two New Chiral Superbases. Chemistry : a European journal, 23 (11), 2591-2598 doi:10.1002/chem.201604522.
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Barić, D. & Kovačević, B. (2016) Cyclopropenimine as pincer ligand and strong electron donor in proton sponges. Journal of physical organic chemistry, 29 (12), 750-758 doi:10.1002/poc.3579.
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Tomić, A., Kovačević, B. & Tomić, S. (2016) Concerted nitrogen inversion and hydrogen bonding to Glu451 are responsible for protein-controlled suppression of the reverse reaction in the human DPP III. Physical Chemistry Chemical Physics, 18 (39), 27245-27256 doi:10.1039/C6CP04580D.
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Barić, D. & Kovačević, B. (2016) Designing a next generation of proton sponges: cyclopropeniminophosphazenes as the strongest pincer ligands. Tetrahedron letters, 57 (3), 442-445 doi:10.1016/j.tetlet.2015.12.054.
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Dragičević, I., Barić, D., Kovačević, B., Golding, B. & Smith, D. (2015) Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context. Chemistry : a European journal, 21 (16), 6132-6143 doi:10.1002/chem.201405741.
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Kobetić, R., Kazazić, S., Kovačević, B., Glasovac, Z., Krstulović, L., Bajić, M. & Žinić, B. (2015) Mass Spectrometry and Theoretical Studies on N-C Bond Cleavages in the N-sulfonylamidino Thymine Derivatives. Journal of the American Society for Mass Spectrometry, 26 (5), 833-842 doi:10.1007/s13361-014-1068-8.
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Brkić, H., Kovačević, B. & Tomić, S. (2015) Human 3-hydroxyanthranilate 3, 4-dioxygenase (3HAO) dynamics and reaction, a multilevel computational study. Molecular biosystems, 11 (3), 898-907 doi:10.1039/C4MB00668B.
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Barić, D. & Kovačević, B. (2014) Towards the Strongest Neutral Organic Superbases Based on Intramolecular H-bonds. Croatica chemica acta, 87 (4), 459-464 doi:10.5562/cca2490.
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Barić, D., Dragičević, I. & Kovačević, B. (2014) Cyclopropenimine as a hydrogen bond acceptor— towards the strongest non-phosphorus superbases. Tetrahedron, 70 (45), 8571-8576 doi:10.1016/j.tet.2014.09.068.
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Kovačević, B., Schorr, P., Qi, Y. & Volmer, D. (2014) Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion Activation. Journal of the American Society for Mass Spectrometry, 25 (11), 1974-1986 doi:10.1007/s13361-014-0972-2.
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Kögel, J., Abacılar, N., Weber, F., Oelkers, B., Harms, K., Kovačević, B. & Sundermeyer, J. (2014) Constrained-Geometry Bisphosphazides Derived from 1, 8-Diazidonaphthalene: Synthesis, Spectroscopic Characteristics, Structural Features, and Theoretical Investigations. Chemistry : a European journal, 20 (20), 5994-6009 doi:10.1002/chem.201304498.
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Kögel, J., Xie, X., Baal, E., Gesevičius, D., Oelkers, B., Kovačević, B. & Sundermeyer, J. (2014) Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination Chemistry. Chemistry : a European journal, 20 (25), 7670-7685 doi:10.1002/chem.201402226.
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Kögel, J., Oelkers, B., Kovačević, B. & Sundermeyer, J. (2013) A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges : The Run for the Best Chelating Ligand for a Proton. Journal of the American Chemical Society, 35 (47), 17768-17774 doi:10.1021/ja409760z.
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Barić, D., Dragičević, I. & Kovačević, B. (2013) Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen Bonds. Journal of organic chemistry, 78 (8), 4075-4082 doi:10.1021/jo400396d.
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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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Dörr, F., Kovačević, B., Maksić, Z., Pinto, E. & Volmer, D. (2011) Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin Epimers. Journal of the American Society for Mass Spectrometry, 22 (11), 2011-2020 doi:10.1007/s13361-011-0223-8.
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Sandala, G., Kovačević, B., Barić, D., Smith, D. & Radom, L. (2009) On the Reaction of Glycerol Dehydratase with But-3-ene-1, 2-diol. Chemistry : a European journal, 15 (19), 4865-4873 doi:10.1002/chem.200802640.
doi Despotović, I., Kovačević, B. & Maksić, Z. (2007) Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridines. Organic Letters, 9 (23), 4709-4712.
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Despotović, I., Kovačević, B. & Maksić, Z. (2007) Pyridine and s -triazine as building blocks of nonionic organic superbases - a density functional theory B3LYP study. New Journal of Chemistry, 31 (3), 447-457 doi:10.1039/B617914B.
doi Despotović, I., Kovačević, B. & Maksić, Z. (2007) Derivatives of Azacalix[3](2, 6)pyridine are Strong Neutral Organic Superbases: A DFT Study. Organic Letters, 9 (6), 1101-1104.
Kovačević, B., Despotović, I. & Maksić, Z. (2007) In Quest of Strong Neutral Organic Bases and Superbases - Supramolecular Systems Containing Four Pyridine Subunits. Tetrahedron Letters, 48 (2), 261-264.
Kovačević, B. & Maksić, Z. (2006) High basicity of tris-(tetramethylguanidinyl)phosphine imide in the gas phase and acetonitrile - a DFT study. Tetrahedron Letters, 47, 2553-2555.
Kovačević, B. & Maksić, Z. (2006) High Basicity of Phosphorus Proton Affinity of Tris-(tetramethylguanidinyl)phosphine and Tris-(hexamethyltriaminophosphazenyl)phosphine by the DFT Calculations. Chemical Communications, 14, 1524-1526.
Glasovac, Z., Kovačević, B., Meštrović, E. & Eckert-Maksić, M. (2005) Synthesis and Properties of Novel Guanidine Bases. N, N', N'' tris(3 dimethylaminopropyl)-guanidine. Tetrahedron letters, 46 (50), 8733-8736.
Barić, D., Kovačević, B., Maksić, Z. & Mueller, T. (2005) A Novel Approach in Analyzing Aromaticity by Homo- and Isostructural Reactions: An Ab Initio Study of Fluorobenzenes. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (46), 10594-10606.
Raab, V., Gauchenova, E., Merkoulov, A., Harms, K., Sundermeyer, J., Kovačević, B. & Maksić, Z. (2005) 1, 8-Bis(hexamethyl-triamino-phosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene "Proton Sponge". Journal of the American Chemical Society, 127 (45), 15738-15743.
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Kovačević, B., Rožman, M., Klasinc, L., Srzić, D., Maksić, Z. & Yánez, M. (2005) Gas phase structure of protonated histidine and histidine methyl ester - a combined experimental mass spectrometry and theoretical ab initio study. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (37), 8329-8335 doi:10.1021/jp053288t.
doi Gattin, Z., Kovačević, B. & Maksić, Z. (2005) Cooperative intramolecular hydrogen bonding effect and basicity - An ab initio and DFT study of the superbasic properties of N-dimethylaminoalkyl-2, 3-diamino-cyclopropeneimines. European journal of organic chemistry, -, 3206-3213.
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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.
doi Kovačević, B., Barić, D., Maksić, Z. & Mueller, T. (2004) Dominant Role of the Pi Framework in Cyclobutadiene. Journal of Physical Chemistry A, 108, 9126-9133.
Kovačević, B., Barić, D., Maksić, Z. & Müller, T. (2004) The Origin of Aromaticity - The Important Role of the Sigma Electrons in Benzene. ChemPhysChem, 5, 1352-1364.
Sleno, L., Kovačević, B., Maksić, Z. & Volmer, D. (2004) Gas-phase Dissociation Reactions of Protonated Saxitoxin and Neosaxitoxin. Journal of the American Society for Mass Spectrometry, 15, 462-477.
Kovačević, B., Barić, D. & Maksić, Z. (2004) Basicity of Exceedingly Strong Non-ionic Organic Bases in Acetonitrile - Verkade's Superbase and Some Related Phosphazenes. New journal of chemistry, 28, 284-288.
Raab, V., Harms, K., Sundermeyer, J., Kovačević, B. & Maksić, Z. (2003) 1, 8-Bis(dimethylethyleneguanidino)naphthalene, DMEGN: Tailoring the Basicity of Bisguanidine "Proton Sponges" by Experiment and Theory. Journal of organic chemistry, 68 (23), 8790-8797.
Kovačević, B., Maksić, Z. & Primorac, M. (2003) Acidity of Substituted Benzenes - An Ab Initio Study of the Influence of Methoxy, Trifluoromethyl and Trifluoromethoxy Groups by Novel Trichotomy Formula. European journal of organic chemistry, 19 (18), 3777-3783.
Kovačević, B., Liebman, J. & Maksić, Z. (2002) Nibbering's C7H7N: an ab initio study of the structure and electronic properties of benzaldimine and its protonated ion. Journal of Chemical Society Perkin Trans 2, 9 (-), 1544-1548.
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.
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.
Kovačević, B. & Maksić, Z. (2002) The Proton Affinity of the Superbase 1, 8-Bis(tetramethylguanidino)naphthalene and Some Related Compounds - A Theoretical Study. Chemistry - A European Journal, 8 (7), 1694-1702.
Kovačević, B., Glasovac, Z. & Maksić, Z. (2002) The Intramolecular Hydrogen Bond and Intrinsic Proton Affinity of Neutral Organic Molecule: N, N', N''-tris(3-aminopropyl)guanidine and Some Related Systems. Journal of Physical Organic Chemistry, 15 (11), 765-774.
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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.
doi Kovačević, B. & Maksić, Z. (2001) Basicity of some Strong Nitrogen Bases in Acetonitrile. Organic letters, 3 (10), 1523-1526.
Kovačević, B. & Maksić, Z. (2000) Absolute Proton Affinity of Some Polyguanidines. Journal of organic chemistry, 65, 3303-3309.
Maksić, Z., Kovačević, B. & Lesar, A. (2000) Protonation of Archetypal Aromatic and Antiaromatic Systems - G2 Studies of Benzene and Cyclobutadiene. Chemical Physics, 253, 59-71.
Maksić, Z. & Kovačević, B. (1999) Neutral vs. Zwitterionic Form of Arginine-An Ab Initio Study. Journal of the Chemical Society. Perkin transactions II,, 2623-2629.
Maksić, Z. & Kovačević, B. (1999) Towards the Absolute Proton Affinities of 20 alpha-Amino Acids. Chemical physics letters, 307, 497-504.
Maksić, Z. & Kovačević, B. (1999) The spatial and electronic structure of highly basic organic molecules: cyclopropeneimines and some related systems. Journal of physical chemistry A, 103 (33), 6678-6684.
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Maksić, Z., Barić, D. & Kovačević, B. (1999) Absolute proton affinities of biphenyl and its derivatives. Journal of the Chemical Society. Perkin transactions. II, 5, 1011-1017 doi:10.1039/A808501C.
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Maksić, Z. & Kovačević, B. (1998) Toward organic superbases: the electronic structure and the absolute proton affinity of quinodiimines and some related compounds. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102 (37), 7324-7328 doi:10.1021/jp981821h.
doi Kovačević, B., Maksić, Z. & Rademacher, P. (1998) High basicity of alkylated 2-tetrazenes: an ab initio study. Chemical physics letters, 293 (3-4), 245-250.
Kovačević, B. & Maksić, Z. (1998) Toward engineering of very strong organic bases: pronounced proton affinity of molecules possessing imino structural and electronic motif. Chemical physics letters, 288 (2-4), 289-292.
Maksić, Z., Kovačević, B. & Kovaček, D. (1997) Simple Ab Initio Model for Calculating the Absolute Proton Affinity of Aromatics. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101 (40), 7446-7453.
Maksić, Z., Kovaček, D. & Kovačević, B. (1996) Further Evidence for Existence of the Mills-Nixon Effect - Ab initio study of the Electrophilic Reactivity in Heteroanalogs of Benzocyclopropene. Electronic journal of theoretical chemistry, 1 (1), 65-78.
Radovi u zbornicima skupova
Znanstveni radovi u zbornicima skupova
Kovačević, B. & Maksić, Z. (2004) Computational Design of Highly Potent Organic Superbases. U: Wolf, D., Muenster, G. & Kremer, M. (ur.)NIC Symposium 2004.
Ocjenski radovi
Doktorske disertacije
Kovačević, B. (2001) 'Struktura i protonski afiniteti alfa-amino kiselina', doktorska disertacija, Prirodoslovno matematički fakultet, Zagreb.
Magistarski radovi
Kovačević, B. (1999) 'Dizajniranje organskih superbaza primjenom kvantno-kemijskih modela', magistarski rad, Prirodoslovno-matematički fakultet, Zagreb.
Članstva u profesionalnim udrugama / društvima
Hrvatsko kemijsko društvo (Predsjednik Sekcije za teorijsku i računalnu kemiju)