Dr. Danijela Barić
Division of Physical Chemistry
Rudjer Boskovic Institute
Bijenicka 54
10000 Zagreb
Croatia
Education
Publications
Journal articles
Scientific and review papers
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, 1, 1-20.
-
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.
doidx.doi.orgwww.mdpi.com -
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.
doidx.doi.orgwww.mdpi.com -
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, e2200208, 11 doi:10.1002/ardp.202200208.
doionlinelibrary.wiley.com -
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.
doi -
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.
doicomptes-rendus.academie-sciences.frfulir.irb.hr -
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.
doi -
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.
doiwww.mdpi.comdx.doi.orgfulir.irb.hr -
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.
doi -
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.
doi -
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.
doiwww.mdpi.comdx.doi.org -
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.
doi -
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.
doi -
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.
doi -
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.
doidoi.orgpubs.acs.orgfulir.irb.hr -
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.
doi -
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.
doi -
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.
doi -
Suć, J., Barić, D. & Jerić, I. (2016) Multicomponent synthesis of hydrazino depsipeptides. RSC Advances, 6 (102), 99664-99675 doi:10.1039/c6ra23317a.
doipubs.rsc.orgdoi.orgfulir.irb.hr -
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.
doi -
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.
doi -
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.
doi -
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.
doihrcak.srce.hr -
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.
doi -
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.
doi -
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 -
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.
-
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.
doi -
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.
doi -
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.
doi
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