TY  - DATA
AU  - Cvijetic, Ilija N.
AU  - Verbic, Tatjana Z.
AU  - Drakulić, Branko J.
AU  - Stanković, Dalibor M.
AU  - Juranić, Ivan O.
AU  - Manojlović, Dragan D.
AU  - Zloh, Mire
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8851
AB  - Supplementary material to Cvijetić, I., Verbić, T., Drakulić, B. J., Stanković, D., Juranić, I. O., Manojlović, D. D., & Zloh, M. (2017). Redox properties of alkyl-substituted 4-aryl-2, 4-dioxobutanoic acids. Journal of the Serbian Chemical Society, 82(3), 303-316.
T2  - Journal of the Serbian Chemical Society
T1  - Supplementary material to Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids
VL  - 82
IS  - 3
SP  - S158
EP  - S187
DO  - 10.2298/JSC161118021C
ER  - 

@misc{
author = "Cvijetic, Ilija N. and Verbic, Tatjana Z. and Drakulić, Branko J. and Stanković, Dalibor M. and Juranić, Ivan O. and Manojlović, Dragan D. and Zloh, Mire",
year = "2017",
abstract = "Supplementary material to Cvijetić, I., Verbić, T., Drakulić, B. J., Stanković, D., Juranić, I. O., Manojlović, D. D., & Zloh, M. (2017). Redox properties of alkyl-substituted 4-aryl-2, 4-dioxobutanoic acids. Journal of the Serbian Chemical Society, 82(3), 303-316.",
journal = "Journal of the Serbian Chemical Society",
title = "Supplementary material to Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids",
volume = "82",
number = "3",
pages = "S158-S187",
doi = "10.2298/JSC161118021C"
}

Cvijetic, I. N., Verbic, T. Z., Drakulić, B. J., Stanković, D. M., Juranić, I. O., Manojlović, D. D.,& Zloh, M.. (2017). Supplementary material to Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids. in Journal of the Serbian Chemical Society, 82(3), S158-S187.
https://doi.org/10.2298/JSC161118021C

Cvijetic IN, Verbic TZ, Drakulić BJ, Stanković DM, Juranić IO, Manojlović DD, Zloh M. Supplementary material to Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids. in Journal of the Serbian Chemical Society. 2017;82(3):S158-S187.
doi:10.2298/JSC161118021C .

Cvijetic, Ilija N., Verbic, Tatjana Z., Drakulić, Branko J., Stanković, Dalibor M., Juranić, Ivan O., Manojlović, Dragan D., Zloh, Mire, "Supplementary material to Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids" in Journal of the Serbian Chemical Society, 82, no. 3 (2017):S158-S187,
https://doi.org/10.2298/JSC161118021C . .

TY  - JOUR
AU  - Cvijetic, Ilija N.
AU  - Verbic, Tatjana Z.
AU  - Drakulić, Branko J.
AU  - Stanković, Dalibor M.
AU  - Juranić, Ivan O.
AU  - Manojlović, Dragan D.
AU  - Zloh, Mire
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1570
AB  - Redox properties of a set of aryldiketo acids (ADKs), small organic molecules that comprise 2,4-dioxobutanoic acid moiety, were studied. Along with well-known HIV-1 integrase (IN) inhibition, ADKs exert widespread biological activities. The aim of this work was to evaluate the effects of aryl substitutions on the properties of the dioxobutanoic moiety that is involved in key interactions with metal ions within the active sites of target enzymes. The effect of pH on the electronic properties of nine congeners was examined using cyclic voltammetry and differential pulse polarography. The compounds were chosen as a simple set of congeners bearing Me-groups on the phenyl ring, which should not be involved in electrochemical reactions, leaving the diketo moiety as the sole electrophore. The substitution pattern was systematically varied, yielding a set having different torsion between the phenyl ring and the aryl keto group (Ar-C(O)). The protonation state of the ADKs at different pH values was determined from the experimentally obtained pK(a) values. The results showed that an equal number of protons and electrons were involved in the oxidation and reduction reactions at the surface of the electrode. Quantitative linear correlations were found between the reduction potentials and the energies of the frontier orbitals, calculated for neutral, mono-anionic and the corresponding radical anionic species, and the steric parameter as two independent variables.
T2  - Journal of the Serbian Chemical Society
T1  - Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids
VL  - 82
IS  - 3
SP  - 303
EP  - 316
DO  - 10.2298/JSC161118021C
ER  - 

@article{
author = "Cvijetic, Ilija N. and Verbic, Tatjana Z. and Drakulić, Branko J. and Stanković, Dalibor M. and Juranić, Ivan O. and Manojlović, Dragan D. and Zloh, Mire",
year = "2017",
abstract = "Redox properties of a set of aryldiketo acids (ADKs), small organic molecules that comprise 2,4-dioxobutanoic acid moiety, were studied. Along with well-known HIV-1 integrase (IN) inhibition, ADKs exert widespread biological activities. The aim of this work was to evaluate the effects of aryl substitutions on the properties of the dioxobutanoic moiety that is involved in key interactions with metal ions within the active sites of target enzymes. The effect of pH on the electronic properties of nine congeners was examined using cyclic voltammetry and differential pulse polarography. The compounds were chosen as a simple set of congeners bearing Me-groups on the phenyl ring, which should not be involved in electrochemical reactions, leaving the diketo moiety as the sole electrophore. The substitution pattern was systematically varied, yielding a set having different torsion between the phenyl ring and the aryl keto group (Ar-C(O)). The protonation state of the ADKs at different pH values was determined from the experimentally obtained pK(a) values. The results showed that an equal number of protons and electrons were involved in the oxidation and reduction reactions at the surface of the electrode. Quantitative linear correlations were found between the reduction potentials and the energies of the frontier orbitals, calculated for neutral, mono-anionic and the corresponding radical anionic species, and the steric parameter as two independent variables.",
journal = "Journal of the Serbian Chemical Society",
title = "Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids",
volume = "82",
number = "3",
pages = "303-316",
doi = "10.2298/JSC161118021C"
}

Cvijetic, I. N., Verbic, T. Z., Drakulić, B. J., Stanković, D. M., Juranić, I. O., Manojlović, D. D.,& Zloh, M.. (2017). Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids. in Journal of the Serbian Chemical Society, 82(3), 303-316.
https://doi.org/10.2298/JSC161118021C

Cvijetic IN, Verbic TZ, Drakulić BJ, Stanković DM, Juranić IO, Manojlović DD, Zloh M. Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids. in Journal of the Serbian Chemical Society. 2017;82(3):303-316.
doi:10.2298/JSC161118021C .

Cvijetic, Ilija N., Verbic, Tatjana Z., Drakulić, Branko J., Stanković, Dalibor M., Juranić, Ivan O., Manojlović, Dragan D., Zloh, Mire, "Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids" in Journal of the Serbian Chemical Society, 82, no. 3 (2017):303-316,
https://doi.org/10.2298/JSC161118021C . .

TY  - JOUR
AU  - Novaković, Slađana B.
AU  - Vitorović-Todorović, Maja D.
AU  - Bogdanović, Goran A.
AU  - Drakulić, Branko J.
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3510
AB  - The title compound, C(14)H(14)ClN, is a chloro analogue of tacrine, an acetylcholinesterase inhibitor. The compound comprises a seven-membered alicyclic ring whose CH donor groups are engaged in extensive intermolecular interactions. The important feature of this crystal structure is that, regardless of the presence of two typical hydrogen-bonding acceptors, viz. chlorine and nitrogen, the corresponding C-H H center dot center dot center dot Cl and C-H center dot center dot center dot N interactions take no significant role in crystal stabilization. The molecules form dimers through pi-pi interactions with an interplanar distance between interacting pyridine rings of 3.576 (1) angstrom. Within the dimers, the molecules are additionally interconnected by four C-H center dot center dot center dot pi interactions. The dimers arrange into regular columns via further intermolecular C-H center dot center dot center dot pi interactions.
T2  - Acta Crystallographica. Section C: Crystal Structure Communications
T1  - Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[b] quinoline
VL  - 64
SP  - O502
EP  - O504
DO  - 10.1107/S0108270108022221
ER  - 

@article{
author = "Novaković, Slađana B. and Vitorović-Todorović, Maja D. and Bogdanović, Goran A. and Drakulić, Branko J.",
year = "2008",
abstract = "The title compound, C(14)H(14)ClN, is a chloro analogue of tacrine, an acetylcholinesterase inhibitor. The compound comprises a seven-membered alicyclic ring whose CH donor groups are engaged in extensive intermolecular interactions. The important feature of this crystal structure is that, regardless of the presence of two typical hydrogen-bonding acceptors, viz. chlorine and nitrogen, the corresponding C-H H center dot center dot center dot Cl and C-H center dot center dot center dot N interactions take no significant role in crystal stabilization. The molecules form dimers through pi-pi interactions with an interplanar distance between interacting pyridine rings of 3.576 (1) angstrom. Within the dimers, the molecules are additionally interconnected by four C-H center dot center dot center dot pi interactions. The dimers arrange into regular columns via further intermolecular C-H center dot center dot center dot pi interactions.",
journal = "Acta Crystallographica. Section C: Crystal Structure Communications",
title = "Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[b] quinoline",
volume = "64",
pages = "O502-O504",
doi = "10.1107/S0108270108022221"
}

Novaković, S. B., Vitorović-Todorović, M. D., Bogdanović, G. A.,& Drakulić, B. J.. (2008). Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[b] quinoline. in Acta Crystallographica. Section C: Crystal Structure Communications, 64, O502-O504.
https://doi.org/10.1107/S0108270108022221

Novaković SB, Vitorović-Todorović MD, Bogdanović GA, Drakulić BJ. Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[b] quinoline. in Acta Crystallographica. Section C: Crystal Structure Communications. 2008;64:O502-O504.
doi:10.1107/S0108270108022221 .

Novaković, Slađana B., Vitorović-Todorović, Maja D., Bogdanović, Goran A., Drakulić, Branko J., "Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[b] quinoline" in Acta Crystallographica. Section C: Crystal Structure Communications, 64 (2008):O502-O504,
https://doi.org/10.1107/S0108270108022221 . .

TY  - JOUR
AU  - Miodragovic, Zoran M.
AU  - Bogdanović, Goran A.
AU  - Krajcinovic, Bojana B.
AU  - Drakulić, Branko J.
AU  - Kusigerski, Vladan
AU  - Miodragović Đenana U.
AU  - Spasojević, Vojislav
AU  - Hodzic, Ismet M.
AU  - Juranić, Ivan O.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3127
AB  - A new binuclear Cu(II) complex with an (E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoato ligand (L) was successfully synthesized and characterized by elemental analysis and IR-spectroscopy. The structures of (E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoic acid (HL), and the corresponding (tetrakis)-mu-[(E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoato]-bis(ethanol)-copper(II) complex, [Cu2L4(C2H5OH)(2)], were determined by single crystal X-ray analyses and are preliminarily discussed. This is the first complex of a transition metal with ligand L. as well as the first determined crystal structure of a metal complex with this type of ligand. Analysis of the magnetic susceptibility measurements of the isolated [Cu2L4(C2H5OH)(2)]center dot H2O complex shows the existence of a strong anti-ferromagnetic intra-dimer coupling, with an exchange integral value 2J of -260 cm(-1). (C) 2006 Elsevier B.V. All rights reserved.
T2  - Inorganic Chemistry Communications
T1  - Synthesis, structure and magnetic properties of the first copper(II) complex with an (E)-4-aryl-4-oxo-2-butenoato ligand
VL  - 9
IS  - 12
SP  - 1173
EP  - 1177
DO  - 10.1016/j.inoche.2006.07.029
ER  - 

@article{
author = "Miodragovic, Zoran M. and Bogdanović, Goran A. and Krajcinovic, Bojana B. and Drakulić, Branko J. and Kusigerski, Vladan and Miodragović Đenana U. and Spasojević, Vojislav and Hodzic, Ismet M. and Juranić, Ivan O.",
year = "2006",
abstract = "A new binuclear Cu(II) complex with an (E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoato ligand (L) was successfully synthesized and characterized by elemental analysis and IR-spectroscopy. The structures of (E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoic acid (HL), and the corresponding (tetrakis)-mu-[(E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoato]-bis(ethanol)-copper(II) complex, [Cu2L4(C2H5OH)(2)], were determined by single crystal X-ray analyses and are preliminarily discussed. This is the first complex of a transition metal with ligand L. as well as the first determined crystal structure of a metal complex with this type of ligand. Analysis of the magnetic susceptibility measurements of the isolated [Cu2L4(C2H5OH)(2)]center dot H2O complex shows the existence of a strong anti-ferromagnetic intra-dimer coupling, with an exchange integral value 2J of -260 cm(-1). (C) 2006 Elsevier B.V. All rights reserved.",
journal = "Inorganic Chemistry Communications",
title = "Synthesis, structure and magnetic properties of the first copper(II) complex with an (E)-4-aryl-4-oxo-2-butenoato ligand",
volume = "9",
number = "12",
pages = "1173-1177",
doi = "10.1016/j.inoche.2006.07.029"
}

Miodragovic, Z. M., Bogdanović, G. A., Krajcinovic, B. B., Drakulić, B. J., Kusigerski, V., Miodragović Đenana U., Spasojević, V., Hodzic, I. M.,& Juranić, I. O.. (2006). Synthesis, structure and magnetic properties of the first copper(II) complex with an (E)-4-aryl-4-oxo-2-butenoato ligand. in Inorganic Chemistry Communications, 9(12), 1173-1177.
https://doi.org/10.1016/j.inoche.2006.07.029

Miodragovic ZM, Bogdanović GA, Krajcinovic BB, Drakulić BJ, Kusigerski V, Miodragović Đenana U., Spasojević V, Hodzic IM, Juranić IO. Synthesis, structure and magnetic properties of the first copper(II) complex with an (E)-4-aryl-4-oxo-2-butenoato ligand. in Inorganic Chemistry Communications. 2006;9(12):1173-1177.
doi:10.1016/j.inoche.2006.07.029 .

Miodragovic, Zoran M., Bogdanović, Goran A., Krajcinovic, Bojana B., Drakulić, Branko J., Kusigerski, Vladan, Miodragović Đenana U., Spasojević, Vojislav, Hodzic, Ismet M., Juranić, Ivan O., "Synthesis, structure and magnetic properties of the first copper(II) complex with an (E)-4-aryl-4-oxo-2-butenoato ligand" in Inorganic Chemistry Communications, 9, no. 12 (2006):1173-1177,
https://doi.org/10.1016/j.inoche.2006.07.029 . .

TY  - JOUR
AU  - Sovilj, Sofija P.
AU  - Drakulić, Branko J.
AU  - Stojić, Dragica Lj.
AU  - Katsaros, N.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6614
AB  - A huge variety of nano-objects, allowing specific reactions at well-defined positions can be generated using oxo-molybdenurn compounds based building blocks and fragments. On the other side, the use of suphur-based interfaces as metal-based organic materials is a new area with many potential applications in medicine, particularly as implants. In that respect, as precursors for building new materials with pronounced characteristics five new dioxomolybdenum(VI) complexes of the general formula [MoO2(RdtC)(2)] have been used in the present work. Their predicted geometries optimized by the MO calculations are in excellent agreement with the reported crystal structure data, and therefore can be used as models for docking study between complexes and biomolecules. In silico screening for complex-protein interaction will be able to predict behavior of such materials implanted in living systems.
T2  - Materials Science Forum
T1  - Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems
VL  - 518
SP  - 411
EP  - 416
DO  - 10.4028/www.scientific.net/MSF.518.411
ER  - 

@article{
author = "Sovilj, Sofija P. and Drakulić, Branko J. and Stojić, Dragica Lj. and Katsaros, N.",
year = "2006",
abstract = "A huge variety of nano-objects, allowing specific reactions at well-defined positions can be generated using oxo-molybdenurn compounds based building blocks and fragments. On the other side, the use of suphur-based interfaces as metal-based organic materials is a new area with many potential applications in medicine, particularly as implants. In that respect, as precursors for building new materials with pronounced characteristics five new dioxomolybdenum(VI) complexes of the general formula [MoO2(RdtC)(2)] have been used in the present work. Their predicted geometries optimized by the MO calculations are in excellent agreement with the reported crystal structure data, and therefore can be used as models for docking study between complexes and biomolecules. In silico screening for complex-protein interaction will be able to predict behavior of such materials implanted in living systems.",
journal = "Materials Science Forum",
title = "Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems",
volume = "518",
pages = "411-416",
doi = "10.4028/www.scientific.net/MSF.518.411"
}

Sovilj, S. P., Drakulić, B. J., Stojić, D. Lj.,& Katsaros, N.. (2006). Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems. in Materials Science Forum, 518, 411-416.
https://doi.org/10.4028/www.scientific.net/MSF.518.411

Sovilj SP, Drakulić BJ, Stojić DL, Katsaros N. Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems. in Materials Science Forum. 2006;518:411-416.
doi:10.4028/www.scientific.net/MSF.518.411 .

Sovilj, Sofija P., Drakulić, Branko J., Stojić, Dragica Lj., Katsaros, N., "Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems" in Materials Science Forum, 518 (2006):411-416,
https://doi.org/10.4028/www.scientific.net/MSF.518.411 . .