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Basuri, Pallab; Safferthal, Marc; Kovačević, Borislav; Schorr, Pascal; Riedel, Jerome; Pagel, Kevin; Volmer, Dietrich A. | Characterization of Anticancer Drug Protomers Using Electrospray Ionization and Ion Mobility Spectrometry–Mass Spectrometry // Journal of the American Society for Mass Spectrometry, 35 (2024), 12; 2869-2876. doi: 10.1021/jasms.4c00233
doipubs.acs.orgfulir.irb.hr
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Kovačević, Borislav; Šagud, Ivana; Drmić, Katarina Marija; Mlakić, Milena; Škorić, Irena; Babić, Sandra | Experimental and DFT approach to physico-chemical properties of bioactive resveratrol analogues // Molecules, 29 (2024), 22; 5481, 17. doi: 10.3390/molecules29225481
doidx.doi.orgwww.mdpi.comfulir.irb.hr
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Mlakić, Milena; Odak, Ilijana; Barić, Danijela; Talić, Stanislava; Šagud, Ivana; Štefanić, Zoran; Molčanov, Krešimir; Lasić, Zlata; Kovačević, Borislav; Škorić, Irena | New resveratrol analogs as improved biologically active structures: design, synthesis and computational modeling // Bioorganic chemistry, 143 (2024), 106965, 18. doi: 10.1016/j.bioorg.2023.106965
doiwww.sciencedirect.comdx.doi.org
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Mlakić, Milena; Faraho, Ivan; Odak, Ilijana; Kovačević, Borislav; Raspudić, Anamarija; Šagud, Ivana; Bosnar, Martina; Škorić, Irena; Barić, Danijela | Cholinesterase inhibitory and anti-inflammatory activity of the naphtho- and thienobenzo-triazole photoproducts: experimental and computational study // International journal of molecular sciences, 24 (2023), 19; 14676, 21. doi: 10.3390/ijms241914676
doiwww.mdpi.comdx.doi.org
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Glasovac, Zoran ; Kovačević, Borislav | Modeling pKa of the Brønsted Bases as an Approach to the Gibbs Energy of the Proton in Acetonitrile // International journal of molecular sciences, 23 (2022), 18; 10576-10592. doi: 10.3390/ijms231810576
doiwww.mdpi.comfulir.irb.hr
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Bilić, Luka ; Barić, Danijela ; Sandala, Gregory M ; Smith, David M. ; Kovačević, Borislav | Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol Dehydratase // Chemistry : a European journal, 27 (2021), 29; 7930-7941. doi: 10.1002/chem.202100416
doichemistry-europe.onlinelibrary.wiley.comdoi.org
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Schorr, Pascal ; Kovačević, Borislav ; Volmer, Dietrich A. | 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 (2021), 4; 1116-1125. doi: 10.1021/jasms.1c00054
doipubs.acs.orgdoi.org
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Kögel, Julius F. ; Ullrich, Sebastian ; Kovačević, Borislav ; Wagner, Sebastian ; Sundermeyer, Jörg | 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 (2020), 13; 923-932. doi: 10.1002/zaac.202000108
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Ullrich, Sebastian ; Kovačević, Borislav ; Koch, Björn ; Harms, Klaus ; Sundermeyer, Jörg | Design of non-ionic carbon superbases: second generation carbodiphosphoranes // Chemical science, 10 (2019), 41; 9483-9492. doi: 10.1039/c9sc03565f
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Ullrich, Sebastian ; Barić, Danijela ; Xie, Xiulan ; Kovačević, Borislav ; Sundermeyer, Jörg | Basicity Enhancement by Multiple Intramolecular Hydrogen Bonding in Organic Superbase N, N′, N″, N‴-Tetrakis(3- (dimethylamino)propyl)triaminophosphazene // Organic letters, 21 (2019), 22; 9142-9146. doi: 10.1021/acs.orglett.9b03521
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Ullrich, Sebastian ; Kovačević, Borislav ; Xie, Xiulan ; Sundermeyer, Jörg | Phosphazenyl Phosphines: The Most Electron-Rich Uncharged Phosphorus Brønsted and Lewis Bases // Angewandte Chemie. International edition, 58 (2019), 30; 10335-10339. doi: 10.1002/anie.201903342
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Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David M. ; Kovačević, Borislav | 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 (2019), 29; 6178-6187. doi: 10.1021/acs.jpcb.9b04071
doidoi.orgpubs.acs.org
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Saadat, Kayvan ; Shiri, Ali ; Kovačević, Borislav | Substituted troponimines: when aromatization of the conjugate acid leads to very strong neutral organic superbases // New journal of chemistry, 42 (2018), 17; 14568-14575. doi: 10.1039/c8nj02349b
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Rzagalinski, Ignacy ; Kovačević, Borislav ; Hainz, Nadine ; Meier, Carola ; Tschernig, Thomas ; Volmer, Dietrich A. | Toward Higher Sensitivity in Quantitative MALDI Imaging Mass Spectrometry of CNS Drugs Using a Nonpolar Matrix // Analytical chemistry, 90 (2018), 21; 12592-12600. doi: 10.1021/acs.analchem.8b02740
doipubs.acs.org
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Kovačević, Borislav ; Barić, Danijela ; Babić, Darko ; Bilić, Luka ; Hanževački, Marko ; Sandala, Gregory M. ; Radom, Leo ; Smith, David M. | Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12 // Journal of the American Chemical Society, 140 (2018), 27; 8487-8496. doi: 10.1021/jacs.8b03109
doipubs.acs.org
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Tomin, Marko ; Tomić, Antonija ; Kovačević, Borislav ; Tomić, Sanja | The Mechanism of Peptide Hydrolysis Catalysed by Dipeptidyl Peptidase III from Bacteroides thetaiotaomicron // Croatica chemica acta, 91 (2018), 2; 187-193. doi: 10.5562/cca3343
doihrcak.srce.hrfulir.irb.hr
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Kokan, Zoran ; Kovačević, Borislav ; Štefanić, Zoran ; Tzvetkova, Pavleta ; Kirin, Srećko I. | Controlling Orthogonal Self-Assembly through Cis-Trans Isomerization of a Non-Covalent Palladium Complex Dimer // Chemical communications, 54 (2018), 17; 2094-2097. doi: 10.1039/C7CC09537F
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Kogel, Julius F. ; Kovačević, Borislav ; Ullrich, Sebastian ; Xie, Xiulan ; Sundermeyer, Jorg | Chelating P2-Bis-phosphazenes with a (R, R)-1, 2- Diaminocyclohexane Skeleton : Two New Chiral Superbases // Chemistry : a European journal, 23 (2017), 11; 2591-2598. doi: 10.1002/chem.201604522
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Barić, Danijela ; Kovačević, Borislav | Cyclopropenimine as pincer ligand and strong electron donor in proton sponges // Journal of physical organic chemistry, 29 (2016), 12; 750-758. doi: 10.1002/poc.3579
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Tomić, Antonija ; Kovačević, Borislav ; Tomić, Sanja | Concerted nitrogen inversion and hydrogen bonding to Glu451 are responsible for protein-controlled suppression of the reverse reaction in the human DPP III // PCCP. Physical chemistry chemical physics, 18 (2016), 39; 27245-27256. doi: 10.1039/C6CP04580D
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Vianello, Robert ; Kovačević, Borislav ; Ambrožić, Gabriela ; Mavri, Janez ; Maksić, Zvonimir | Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds // Chemical physics letters, 400 (2004), 1-3; 117-121. doi: 10.1016/j.cplett.2004.10.089
doiwww.sciencedirect.comdoi.org
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Barić, Danijela ; Kovačević, Borislav | Designing a next generation of proton sponges: cyclopropeniminophosphazenes as the strongest pincer ligands // Tetrahedron letters, 57 (2016), 3; 442-445. doi: 10.1016/j.tetlet.2015.12.054
doidx.doi.orgwww.sciencedirect.com
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Dragičević, Ivan ; Barić, Danijela ; Kovačević, Borislav ; Golding, Bernard T. ; Smith, David Matthew | Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context // Chemistry : a European journal, 21 (2015), 16; 6132-6143. doi: 10.1002/chem.201405741
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Barić, Danijela ; Kovačević, Borislav | Towards the Strongest Neutral Organic Superbases Based on Intramolecular H-bonds // Croatica chemica acta, 87 (2014), 4; 459-464. doi: 10.5562/cca2490
doihrcak.srce.hr
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Kobetić, Renata ; Kazazić, Snježana ; Kovačević, Borislav ; Glasovac, Zoran ; Krstulović, Luka ; Bajić, Miroslav ; Žinić, Biserka | 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 (2015), 5; 833-842. doi: 10.1007/s13361-014-1068-8
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Barić, Danijela ; Dragičević, Ivan ; Kovačević, Borislav | Cyclopropenimine as a hydrogen bond acceptor— towards the strongest non-phosphorus superbases // Tetrahedron, 70 (2014), 45; 8571-8576. doi: 10.1016/j.tet.2014.09.068
doiwww.sciencedirect.com
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Kovačević, Borislav ; Schorr, Pascal ; Qi, Yulin ; Volmer, Dietrich A. | Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion Activation // Journal of the American Society for Mass Spectrometry, 25 (2014), 11; 1974-1986. doi: 10.1007/s13361-014-0972-2
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Kögel, Julius F ; Abacılar, Nuri C ; Weber, Felicia ; Oelkers, Benjamin ; Harms, Klaus ; Kovačević, Borislav ; Sundermeyer, Jörg | Constrained-Geometry Bisphosphazides Derived from 1, 8-Diazidonaphthalene: Synthesis, Spectroscopic Characteristics, Structural Features, and Theoretical Investigations // Chemistry : a European journal, 20 (2014), 20; 5994-6009. doi: 10.1002/chem.201304498
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Kögel, Julius F. ; Xie, Xiulan ; Baal, Eduard ; Gesevičius, Donatas ; Oelkers, Benjamin ; Kovačević, Borislav ; Sundermeyer, Jörg | Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination Chemistry // Chemistry : a European journal, 20 (2014), 25; 7670-7685. doi: 10.1002/chem.201402226
doionlinelibrary.wiley.comonlinelibrary.wiley.com
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Brkić, Hrvoje ; Kovačević, Borislav ; Tomić, Sanja | Human 3-hydroxyanthranilate 3, 4-dioxygenase (3HAO) dynamics and reaction, a multilevel computational study // Molecular biosystems, 11 (2015), 3; 898-907. doi: 10.1039/C4MB00668B
doipubs.rsc.orgpubs.rsc.org
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Kögel, Julius F ; Oelkers, Benjamin ; Kovačević, Borislav ; Sundermeyer, Jörg | 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 (2013), 47; 17768-17774. doi: 10.1021/ja409760z
doipubs.acs.org
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Barić, Danijela ; Dragičević, Ivan ; Kovačević, Borislav | Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen Bonds // Journal of organic chemistry, 78 (2013), 8; 4075-4082. doi: 10.1021/jo400396d
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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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Dörr, Felipe A. ; Kovačević, Borislav ; Maksić, Zvonimir B. ; Pinto, Ernani ; Volmer, Dietrich A. | Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin Epimers // Journal of the American Society for Mass Spectrometry, 22 (2011), 11; 2011-2020. doi: 10.1007/s13361-011-0223-8
doiwww.springerlink.com
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Sandala, Gregory M. ; Kovačević, Borislav ; Barić, Danijela ; Smith, David M. ; Radom, Leo | On the Reaction of Glycerol Dehydratase with But-3-ene-1, 2-diol // Chemistry : a European journal, 15 (2009), 19; 4865-4873. doi: 10.1002/chem.200802640
doionlinelibrary.wiley.comdoi.org
Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridines // Organic letters, 9 (2007), 23; 4709-4712-x
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Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Pyridine and s -triazine as building blocks of nonionic organic superbases - a density functional theory B3LYP study // New journal of chemistry, 31 (2007), 3; 447-457. doi: 10.1039/B617914B
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Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Derivatives of Azacalix[3](2, 6)pyridine are Strong Neutral Organic Superbases: A DFT Study // Organic letters, 9 (2007), 6; 1101-1104-x
Kovačević, Borislav ; Despotović, Ines ; Maksić, Zvonimir | In Quest of Strong Neutral Organic Bases and Superbases - Supramolecular Systems Containing Four Pyridine Subunits // Tetrahedron letters, 48 (2007), 2; 261-264-x
Kovačević, Borislav ; Maksić, Zvonimir | High basicity of tris-(tetramethylguanidinyl)phosphine imide in the gas phase and acetonitrile - a DFT study // Tetrahedron letters, 47 (2006), 2553-2555-x
Kovačević, Borislav ; Maksić, Zvonimir | High Basicity of Phosphorus Proton Affinity of Tris-(tetramethylguanidinyl)phosphine and Tris-(hexamethyltriaminophosphazenyl)phosphine by the DFT Calculations // Chemical communications, 14 (2006), 1524-1526-x
Glasovac, Zoran ; Kovačević, Borislav ; Meštrović, Ernest ; Eckert-Maksić, Mirjana | Synthesis and Properties of Novel Guanidine Bases. N, N', N'' tris(3 dimethylaminopropyl)-guanidine // Tetrahedron letters, 46 (2005), 50; 8733-8736-x
Barić, Danijela ; Kovačević, Borislav ; Maksić, Zvonimir ; Mueller, Thomas | A Novel Approach in Analyzing Aromaticity by Homo- and Isostructural Reactions: An Ab Initio Study of Fluorobenzenes // The journal of physical chemistry. A, 109 (2005), 46; 10594-10606-x
Raab, Volker ; Gauchenova, Ekaterina ; Merkoulov, Alexei ; Harms, Klaus ; Sundermeyer, Jorg ; Kovačević, Borislav ; Maksić, Zvonimir | 1, 8-Bis(hexamethyl-triamino-phosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene "Proton Sponge" // Journal of the American Chemical Society, 127 (2005), 45; 15738-15743-x
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Kovačević, Borislav ; Rožman, Marko ; Klasinc, Leo ; Srzić, Dunja ; Maksić, Zvonimir ; Yánez, Manuel | 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, 109 (2005), 37; 8329-8335. doi: 10.1021/jp053288t
doipubs.acs.orgdoi.org
Gattin, Zrinka ; Kovačević, Borislav ; Maksić, Zvonimir B. | 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, - (2005), 3206-3213-x
Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir ; Mueller, Thomas | Dominant Role of the Pi Framework in Cyclobutadiene // The journal of physical chemistry. A, 108 (2004), 9126-9133-x
Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir ; Müller, Thomas | The Origin of Aromaticity - The Important Role of the Sigma Electrons in Benzene // ChemPhysChem, 5 (2004), 1352-1364-x
Sleno, Lekha ; Kovačević, Borislav ; Maksić, Zvonimir B. ; Volmer, Dietrich A. | Gas-phase Dissociation Reactions of Protonated Saxitoxin and Neosaxitoxin // Journal of the American Society for Mass Spectrometry, 15 (2004), 462-477-x
Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir B | Basicity of Exceedingly Strong Non-ionic Organic Bases in Acetonitrile - Verkade's Superbase and Some Related Phosphazenes // New journal of chemistry, 28 (2004), 284-288-x
Raab, Volker ; Harms, Klaus ; Sundermeyer, Jorg ; Kovačević, Borislav ; Maksić, Zvonimir B | 1, 8-Bis(dimethylethyleneguanidino)naphthalene, DMEGN: Tailoring the Basicity of Bisguanidine "Proton Sponges" by Experiment and Theory // Journal of organic chemistry, 68 (2003), 23; 8790-8797-x
Kovačević, Borislav ; Maksić, Zvonimir B. ; Primorac, Miljenko | 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 (2003), 18; 3777-3783-x
Kovačević, Borislav ; Liebman, Joel F. ; Maksić, Zvonimir B. | Nibbering's C7H7N: an ab initio study of the structure and electronic properties of benzaldimine and its protonated ion // Journal of the Chemical Society. Perkin Transactions 2 (2001), 9 (2002), -; 1544-1548-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
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
Kovačević, Borislav ; Maksić, Zvonimir B. | The Proton Affinity of the Superbase 1, 8-Bis(tetramethylguanidino)naphthalene and Some Related Compounds - A Theoretical Study // Chemistry : a European journal, 8 (2002), 7; 1694-1702-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
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Kovačević, Borislav ; Glasovac, Zoran ; Maksić, Zvonimir B. | 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 (2002), 11; 765-774-x
Kovačević, Borislav ; Maksić, Zvonimir B. | Basicity of some Strong Nitrogen Bases in Acetonitrile // Organic letters, 3 (2001), 10; 1523-1526-x
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Kovačević, Borislav ; Maksić, Zvonimir B. | Absolute Proton Affinity of Some Polyguanidines // Journal of organic chemistry, 65 (2000), 11; 3303-3309. doi: 10.1021/jo991592a
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Maksić, Zvonimir B. ; Kovačević, Borislav ; Lesar, Antonija | Antiaromatic Systems - G2 Studies of Benzene and Cyclobutadiene // Chemical Physics, 253 (2000), 59-71
Maksić, Zvonimir B. ; Kovačević, Borislav | Neutral vs. Zwitterionic Form of Arginine-An Ab Initio Study // Journal of the Chemical Society. Perkin transactions II, (1999), 2623-2629-x
Maksić, Zvonimir B. ; Kovaček, Damir ; Kovačević, Borislav | 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 (1996), 1; 65-78-x
Maksić, Zvonimir B. ; Kovačević, Borislav | Towards the Absolute Proton Affinities of 20 alpha-Amino Acids // Chemical physics letters, 307 (1999), 497-504-x
Maksić, Zvonimir B. ; Kovačević, Borislav | The spatial and electronic structure of highly basic organic molecules: cyclopropeneimines and some related systems // The journal of physical chemistry. A, 103 (1999), 33; 6678-6684-x
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Maksić, Zvonimir B. ; Barić, Danijela ; Kovačević, Borislav | Absolute proton affinities of biphenyl and its derivatives // Journal of the Chemical Society. Perkin transactions II, 5 (1999), 1011-1017. doi: 10.1039/A808501C
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Maksić, Zvonimir ; Kovačević, Borislav | Toward organic superbases: the electronic structure and the absolute proton affinity of quinodiimines and some related compounds // The journal of physical chemistry. A, 102 (1998), 37; 7324-7328. doi: 10.1021/jp981821h
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Kovačević, Borislav ; Maksić, Zvonimir ; Rademacher, Paul | High basicity of alkylated 2-tetrazenes: an ab initio study // Chemical physics letters, 293 (1998), 3-4; 245-250-x
Kovačević, Borislav ; Maksić, Zvonimir | Toward engineering of very strong organic bases: pronounced proton affinity of molecules possessing imino structural and electronic motif // Chemical physics letters, 288 (1998), 2-4; 289-292-x
Maksić, Zvonimir B. ; Kovačević, Borislav ; Kovaček, Damir | Simple Ab Initio Model for Calculating the Absolute Proton Affinity of Aromatics // The journal of physical chemistry. A, 101 (1997), 40; 7446-7453-x
