Dr. Danijela Barić
Division of Physical Chemistry
Rudjer Boskovic Institute
Bijenicka 54
10000 Zagreb
Croatia
Education
Publications
Journal articles
Scientific and review papers
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Mlakić, M., Đurčević, E., Odak, I., Barić, D., Juričević, I., Šagud, I., Burčul, F., Lasić, Z., Marinić, Ž. & Škorić, I. (2023) Thieno-thiazolostilbenes, thienobenzo-thiazoles and naphtho-oxazoles: Computational study and cholinesterase inhibitory activity. Molecules, 28 (9), 3781, 24 doi:10.3390/molecules28093781.
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Mlakić, M., Selec, I., Ćaleta, I., Odak, I., Barić, D., Ratković, A., Molčanov, K. & Škorić, I. (2023) New thienobenzo/naphtho-triazoles as butyrylcholinesterase inhibitors. Design, synthesis and computational study. International journal of molecular sciences, 24 (6), 5879, 18 doi:10.3390/ijms24065879.
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Mlakić, M., Odak, I., Faraho, I., Bosnar, M., Banjanac, M., Lasić, Z., Marinić, Ž., Barić, D. & Škorić, I. (2023) Synthesis, photochemistry, computational study and potential application of new styryl-thiophene and naphtho-thiophene benzylamines. International journal of molecular sciences, 24 (1), 610, 21 doi:10.3390/ijms24010610.
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Mlakić, M., Fodor, L., Odak, I., Horváth, O., Lovrić, M., Barić, D., Milašinović, V., Molčanov, K., Marinić, Ž., Lasić, Z. & Škorić, I. (2022) Resveratrol-maltol and resveratrol-thiophene hybrids as cholinesterase inhibitors and antioxidants: Synthesis, bio-metal chelating capability and crystal structure. Molecules, 27 (19), 6379, 26 doi:10.3390/molecules27196379.
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Elsinghorst, P., Wille, T., Barić, D., Mertens, M., Baumann, M., Küppers, J. & Gütschow, M. (2022) Aminoalkoxy-substituted coumarins: Synthesis and evaluation for reactivation of inhibited human acetylcholinesterase. Archiv der pharmazie, 355 (11), e2200208, 11 doi:10.1002/ardp.202200208.
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Mlakić, M., Odak, I., Faraho, I., Talić, S., Bosnar, M., Lasić, K., Barić, D. & Škorić, I. (2022) New naphtho/thienobenzo-triazoles with interconnected anti-inflammatory and cholinesterase inhibitory activity. European journal of medicinal chemistry, 241, 114616, 14 doi:10.1016/j.ejmech.2022.114616.
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Modrić, M., Božičević, M., Odak, I., Talić, S., Barić, D., Mlakić, M., Raspudić, A. & Škorić, I. (2022) The structure-activity relationship and computational studies of 1,3-thiazole derivatives as cholinesterase inhibitors with anti-inflammatory activity. Comptes rendus. Chimie, 25, 267-279 doi:10.5802/crchim.201.
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Mlakić, M., Faraho, I., Odak, I., Talić, S., Vukovinski, A., Raspudić, A., Bosnar, M., Zadravec, R., Ratković, A., Lasić, K., Marinić, Ž., Barić, D. & Škorić, I. (2022) Synthesis, photochemistry and computational study of novel 1,2,3-triazole heterostilbenes: expressed biological activity of their electrocyclization photoproducts. Bioorganic chemistry, 121, 105701, 21 doi:10.1016/j.bioorg.2022.105701.
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Mlakić, M., Čadež, T., Barić, D., Puček, I., Ratković, A., Marinić, Ž., Lasić, K., Kovarik, Z. & Škorić, I. (2021) New uncharged 2-thienostilbene oximes as reactivators of organophosphate-inhibited cholinesterases. Pharmaceuticals, 14 (11), 1147, 21 doi:10.3390/ph14111147.
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Ratković, A., Mlakić, M., Dehaen, W., Opsomer, T., Barić, D. & Škorić, I. (2021) Synthesis and photochemistry of novel 1,2,3-triazole di-heterostilbenes. An experimental and computational study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 261, 120056, 14 doi:10.1016/j.saa.2021.120056.
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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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Čadež, T., Grgičević, A., Ahmetović, R., Barić, D., Maček Hrvat, N., Kovarik, Z. & Škorić, I. (2020) Benzobicyclo[3.2.1]octene derivatives as a new class of cholinesterase inhibitors. Molecules, 25 (21), 4872, 24 doi:10.3390/molecules25214872.
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Grgičević, A., Fodor, L., Barić, D., Poje, M., Marinić, Ž., Horváth, O. & Škorić, I. (2020) Synthesis, photochemistry and photophysics of new butadiene derivatives: Influence of the fluoro, dimethylamino and nitro substituents on the molecular structure and photoinduced behavior. Journal of photochemistry and photobiology. A, Chemistry, 400, 112690-112690 doi:10.1016/j.jphotochem.2020.112690.
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Ratković, A., Pavlović, K., Barić, D., Marinić, Ž., Grgičević, I. & Škorić, I. (2020) Modeling and synthesis of novel oxime derivatives as potential cholinesterase inhibitors. Journal of molecular structure, 1200, 127149-127149 doi:10.1016/j.molstruc.2019.127149.
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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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Barić, D. (2019) Utilizing the Azaazulene Scaffolds in the Design of New Organic Superbases. ACS Omega, 4 (12), 15197-15207 doi:10.1021/acsomega.9b02087.
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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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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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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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Suć, J., Barić, D. & Jerić, I. (2016) Multicomponent synthesis of hydrazino depsipeptides. RSC Advances, 6 (102), 99664-99675 doi:10.1039/c6ra23317a.
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Stolić, I., Barić, D., Kazazić, S., Bratoš, I. & Bajić, M. (2016) Mechanistic investigation of charge-remote and charge-driven fragmentation processes in 2,5-diphenyl-3,4-ethylenedioxythiophene diamidines. RCM. Rapid communications in mass spectrometry, 30 (7), 933-943 doi:10.1002/rcm.7523.
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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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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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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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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.
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Barić, D. & Maksić, Z. (2008) The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433]. Tetrahedron letters, 49 (8), 1428-1431 doi:10.1016/j.tetlet.2007.12.036.
doi Maksić, Z., Barić, D. & Muller, T. (2006) Clar's Sextet Rule Is a Consequence of the Sigma-Electron Framework. The Journal of Physical Chemistry A, 110 (33), 10135-10147.
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.
Barić, D. & Maksić, Z. (2005) On the origin of Baeyer strain in molecules - an ab initio and DFT analysis. Theoretical chemistry accounts, 114 (1-3), 222-228.
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.
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.
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.
Barić, D. & Maksić, Z. (2003) Atomic Additivity of the Correlation Energy in Molecules by the DFT-B3LYP Scheme. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 107 (51), 11577-11586.
Barić, D. & Maksić, Z. (2003) Nonadditivity of the Static Correlation Energy of pi-Electrons in Planar Molecules as a Manifestation of Anti/aromaticity. Journal of Physical Organic Chemistry, 16 (10), 753-763.
Barić, D., Maksić, Z. & Yanez, M. (2003) Atomic Additivity of the Correlation Energy in Molecules - An Ab Initio MP4 and G3 Study. Molecular Physics, 101, 1377-1387.
Barić, D. & Maksić, Z. (2002) The Additivity of the Correlation Energy in Organic 3D Molecules. Journal of Physical Chemistry A, 106 (8), 1612-1618.
Smith, D., Barić, D. & Maksić, Z. (2001) On The Corellation Energy Features in Planar Heteroatomic Molecular Systems. Journal of Chemical Physics, 115 (8), 3474-3483.
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Maksić, Z., Smith, D. & Barić, D. (2001) The Additivity of the pi-Electron Correlation Energy in Planar Heteroatomic Molecules. Chemical physics, 269 (1/3), 11-28 doi:10.1016/S0301-0104(01)00367-6.
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Maksić, Z., Barić, D. & Petanjek, I. (2000) On the Correlation Energy of pi-Electrons in Planar Hydrocarbons. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 104 (46), 10873-10881 doi:10.1021/jp0015473.
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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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Theses
Doctoral dissertation
Barić, D. (2003) 'Additivity of Correlation Energy of Electrons in Organic Molecules', doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb.
Master thesis
Barić, D. (2002) 'Correlation Energy of pi Electrons in Planar Molecules', magistarski rad, Prirodoslovno-matematički fakultet, Zagreb.
Membership in professional associations / societies
Croatian Chemical Society
American Chemical Society