TY  - JOUR
AU  - Begović, Nebojša
AU  - Vasić, Milica M.
AU  - Blagojević, Vladimir A.
AU  - Filipović, Nenad R.
AU  - Marinković, Aleksandar
AU  - Malešević, Aleksandar
AU  - Minić, Dragica M.
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3634
AB  - The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex was determined using a combination of XRD and IR measurements and DFT calculations. Inherent flexibility of its structure is evident from the complexity of its IR spectrum, which could only be theoretically reproduced as a combination of several closely related structures, involving rotation around C-O bond and changes in hydrogen interactions of its -OH group. Its thermal stability and decomposition were studied non-isothermally, and the thermal decomposition mechanism was proposed using correlation with DFT calculations at the molecular level. It was determined that the initial degradation step consists of the release of Cl free radical, which then reacts with both the initial compound and the degradation products. Besides the endothermic steps, there are exothermic ones, contributing to the complex shape of the DSC curve, consisted of overlapping endothermic and exothermic peaks. Deconvolution of DTG curve allowed identification of primary fragments of the initial degradation process and, in conjunction with DFT calculations, construction of the most likely reaction mechanism.
PB  - Springer, Dordrecht
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex
EP  - 711
IS  - 2
SP  - 701
VL  - 130
DO  - 10.1007/s10973-017-6458-2
ER  - 

@article{
author = "Begović, Nebojša and Vasić, Milica M. and Blagojević, Vladimir A. and Filipović, Nenad R. and Marinković, Aleksandar and Malešević, Aleksandar and Minić, Dragica M.",
year = "2017",
abstract = "The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex was determined using a combination of XRD and IR measurements and DFT calculations. Inherent flexibility of its structure is evident from the complexity of its IR spectrum, which could only be theoretically reproduced as a combination of several closely related structures, involving rotation around C-O bond and changes in hydrogen interactions of its -OH group. Its thermal stability and decomposition were studied non-isothermally, and the thermal decomposition mechanism was proposed using correlation with DFT calculations at the molecular level. It was determined that the initial degradation step consists of the release of Cl free radical, which then reacts with both the initial compound and the degradation products. Besides the endothermic steps, there are exothermic ones, contributing to the complex shape of the DSC curve, consisted of overlapping endothermic and exothermic peaks. Deconvolution of DTG curve allowed identification of primary fragments of the initial degradation process and, in conjunction with DFT calculations, construction of the most likely reaction mechanism.",
publisher = "Springer, Dordrecht",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex",
pages = "711-701",
number = "2",
volume = "130",
doi = "10.1007/s10973-017-6458-2"
}

Begović, N., Vasić, M. M., Blagojević, V. A., Filipović, N. R., Marinković, A., Malešević, A.,& Minić, D. M.. (2017). Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex. in Journal of Thermal Analysis and Calorimetry
Springer, Dordrecht., 130(2), 701-711.
https://doi.org/10.1007/s10973-017-6458-2

Begović N, Vasić MM, Blagojević VA, Filipović NR, Marinković A, Malešević A, Minić DM. Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex. in Journal of Thermal Analysis and Calorimetry. 2017;130(2):701-711.
doi:10.1007/s10973-017-6458-2 .

Begović, Nebojša, Vasić, Milica M., Blagojević, Vladimir A., Filipović, Nenad R., Marinković, Aleksandar, Malešević, Aleksandar, Minić, Dragica M., "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex" in Journal of Thermal Analysis and Calorimetry, 130, no. 2 (2017):701-711,
https://doi.org/10.1007/s10973-017-6458-2 . .

TY  - JOUR
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Poleti, Dejan
AU  - Rodić, Marko V.
AU  - Begović, Nebojša
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3425
AB  - Four novel manganese(II) complexes with 2,2'-dipyridylamine (dipya) and various benzenedicarboxylate, BDC, ligands as anions of phthalic (pht), isophthalic (ipht) and terephthalic (tpht) acids were hydrothermally synthesized, namely, [Mn(dipya)(pht)(H2O)](2) (1), [Mn(dipya)(ipht)](n) (2), [Mn(dipya) 2(tpht)](n) (3), and [Mn(dipya)(H2O)(4)](tpht) (4). All complexes were characterized by single-crystal X-ray diffraction, TG/DSC analysis and IR spectroscopy. The obtained complexes display a plenty of different structural features, including geometry of central metal atoms, BDC coordination modes and crystal packing. The coordination numbers of Mn(II) are different: 5 (in 2), 6 (in 3 and 4) and 7 (in 1). 3D networks in 1-4 are determined by strong non-covalent interactions. A survey of the Cambridge Structural Database for BDC complexes was performed in order to analyze orientation of COO groups. The energies of various BDC conformers were calculated by the second order Moller-Plesset perturbation theory and three hybrid HF/DFT methods with 6-311G** basis set. To explain different behavior, BDC ions were also examined by Localized Molecular Orbital Energy Decomposition and Natural Bond Orbital analyses. Experimental and calculated geometries are in agreement, showing that tpht and ipht anions prefer the planar conformation, while in pht anions COO groups are inclined and make complementary angles relative to the aromatic rings.
PB  - Elsevier S.A.
T2  - Inorganica Chimica Acta
T1  - Structural diversity of manganese(II) complexes containing 2,2 '-dipyridylamine and benzenedicarboxylates. Conformational analysis of tere-, iso- and phthalate ions: An experimental and quantum chemical approach
EP  - 56
SP  - 46
VL  - 445
DO  - 10.1016/j.ica.2016.02.026
ER  - 

@article{
author = "Radovanović, Lidija and Rogan, Jelena and Poleti, Dejan and Rodić, Marko V. and Begović, Nebojša",
year = "2016",
abstract = "Four novel manganese(II) complexes with 2,2'-dipyridylamine (dipya) and various benzenedicarboxylate, BDC, ligands as anions of phthalic (pht), isophthalic (ipht) and terephthalic (tpht) acids were hydrothermally synthesized, namely, [Mn(dipya)(pht)(H2O)](2) (1), [Mn(dipya)(ipht)](n) (2), [Mn(dipya) 2(tpht)](n) (3), and [Mn(dipya)(H2O)(4)](tpht) (4). All complexes were characterized by single-crystal X-ray diffraction, TG/DSC analysis and IR spectroscopy. The obtained complexes display a plenty of different structural features, including geometry of central metal atoms, BDC coordination modes and crystal packing. The coordination numbers of Mn(II) are different: 5 (in 2), 6 (in 3 and 4) and 7 (in 1). 3D networks in 1-4 are determined by strong non-covalent interactions. A survey of the Cambridge Structural Database for BDC complexes was performed in order to analyze orientation of COO groups. The energies of various BDC conformers were calculated by the second order Moller-Plesset perturbation theory and three hybrid HF/DFT methods with 6-311G** basis set. To explain different behavior, BDC ions were also examined by Localized Molecular Orbital Energy Decomposition and Natural Bond Orbital analyses. Experimental and calculated geometries are in agreement, showing that tpht and ipht anions prefer the planar conformation, while in pht anions COO groups are inclined and make complementary angles relative to the aromatic rings.",
publisher = "Elsevier S.A.",
journal = "Inorganica Chimica Acta",
title = "Structural diversity of manganese(II) complexes containing 2,2 '-dipyridylamine and benzenedicarboxylates. Conformational analysis of tere-, iso- and phthalate ions: An experimental and quantum chemical approach",
pages = "56-46",
volume = "445",
doi = "10.1016/j.ica.2016.02.026"
}

Radovanović, L., Rogan, J., Poleti, D., Rodić, M. V.,& Begović, N.. (2016). Structural diversity of manganese(II) complexes containing 2,2 '-dipyridylamine and benzenedicarboxylates. Conformational analysis of tere-, iso- and phthalate ions: An experimental and quantum chemical approach. in Inorganica Chimica Acta
Elsevier S.A.., 445, 46-56.
https://doi.org/10.1016/j.ica.2016.02.026

Radovanović L, Rogan J, Poleti D, Rodić MV, Begović N. Structural diversity of manganese(II) complexes containing 2,2 '-dipyridylamine and benzenedicarboxylates. Conformational analysis of tere-, iso- and phthalate ions: An experimental and quantum chemical approach. in Inorganica Chimica Acta. 2016;445:46-56.
doi:10.1016/j.ica.2016.02.026 .

Radovanović, Lidija, Rogan, Jelena, Poleti, Dejan, Rodić, Marko V., Begović, Nebojša, "Structural diversity of manganese(II) complexes containing 2,2 '-dipyridylamine and benzenedicarboxylates. Conformational analysis of tere-, iso- and phthalate ions: An experimental and quantum chemical approach" in Inorganica Chimica Acta, 445 (2016):46-56,
https://doi.org/10.1016/j.ica.2016.02.026 . .

TY  - JOUR
AU  - Zdravković, Jelena D.
AU  - Poleti, Dejan
AU  - Rogan, Jelena
AU  - Begović, Nebojša
AU  - Blagojević, Vladimir A.
AU  - Vasić, Milica M.
AU  - Minić, Dragica M.
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3377
AB  - Thermal degradation of ternary transition metal complex containing tetraanion of pyromellitic acid, pyr, and ethylenediamine, en, [Ni-2(en)(2)(H2O)(6)(pyr)]center dot 4H(2)O, 1, was investigated under non-isothermal conditions. The mechanism of thermal degradation, which occurs in three steps, was clarified by TG/DSC measurements in conjunction with FT-IR spectroscopy and XRPD analysis. The complexity of all degradation steps has been revealed using isoconversional methods. Dehydration comprises the loss of ten water molecules in a relatively narrow temperature interval, resulting in a very complicated reaction mechanism. In addition, density functional theory calculations have been applied for better understanding of dehydration. The second degradation step, related to loss of en, was separated into two single-step processes with Fraser-Suzuki function. The obtained individual steps were described by Johnson-Mehl-Avrami A2 model and estak-Berggren model, respectively. Validation of the proposed kinetic triplets for individual steps was performed using master plot and P,rez-Maqueda criteria. The third degradation step is related to the fragmentation of pyr ion most likely followed with the release of a number of gaseous products.
PB  - Springer, Dordrecht
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate
EP  - 1726
IS  - 2
SP  - 1715
VL  - 123
DO  - 10.1007/s10973-015-5007-0
ER  - 

@article{
author = "Zdravković, Jelena D. and Poleti, Dejan and Rogan, Jelena and Begović, Nebojša and Blagojević, Vladimir A. and Vasić, Milica M. and Minić, Dragica M.",
year = "2016",
abstract = "Thermal degradation of ternary transition metal complex containing tetraanion of pyromellitic acid, pyr, and ethylenediamine, en, [Ni-2(en)(2)(H2O)(6)(pyr)]center dot 4H(2)O, 1, was investigated under non-isothermal conditions. The mechanism of thermal degradation, which occurs in three steps, was clarified by TG/DSC measurements in conjunction with FT-IR spectroscopy and XRPD analysis. The complexity of all degradation steps has been revealed using isoconversional methods. Dehydration comprises the loss of ten water molecules in a relatively narrow temperature interval, resulting in a very complicated reaction mechanism. In addition, density functional theory calculations have been applied for better understanding of dehydration. The second degradation step, related to loss of en, was separated into two single-step processes with Fraser-Suzuki function. The obtained individual steps were described by Johnson-Mehl-Avrami A2 model and estak-Berggren model, respectively. Validation of the proposed kinetic triplets for individual steps was performed using master plot and P,rez-Maqueda criteria. The third degradation step is related to the fragmentation of pyr ion most likely followed with the release of a number of gaseous products.",
publisher = "Springer, Dordrecht",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate",
pages = "1726-1715",
number = "2",
volume = "123",
doi = "10.1007/s10973-015-5007-0"
}

Zdravković, J. D., Poleti, D., Rogan, J., Begović, N., Blagojević, V. A., Vasić, M. M.,& Minić, D. M.. (2016). Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate. in Journal of Thermal Analysis and Calorimetry
Springer, Dordrecht., 123(2), 1715-1726.
https://doi.org/10.1007/s10973-015-5007-0

Zdravković JD, Poleti D, Rogan J, Begović N, Blagojević VA, Vasić MM, Minić DM. Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate. in Journal of Thermal Analysis and Calorimetry. 2016;123(2):1715-1726.
doi:10.1007/s10973-015-5007-0 .

Zdravković, Jelena D., Poleti, Dejan, Rogan, Jelena, Begović, Nebojša, Blagojević, Vladimir A., Vasić, Milica M., Minić, Dragica M., "Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate" in Journal of Thermal Analysis and Calorimetry, 123, no. 2 (2016):1715-1726,
https://doi.org/10.1007/s10973-015-5007-0 . .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Blagojević, Vladimir A.
AU  - Muller, Christian D.
AU  - Marinković, Aleksandar
AU  - Vujčić, Miroslava T.
AU  - Janović, Barbara S.
AU  - Malešević, Aleksandar
AU  - Begović, Nebojša
AU  - Senćanski, Milan V.
AU  - Minić, Dragica M.
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3315
AB  - A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl) bis(ethan-1-yl-1-ylidene)) bis(hydrazin-1-yl-2-ylidene)) bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 +/- 3 mu M), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines
EP  - 108740
IS  - 110
SP  - 108726
VL  - 6
DO  - 10.1039/c6ra24604d
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Todorović, Tamara and Blagojević, Vladimir A. and Muller, Christian D. and Marinković, Aleksandar and Vujčić, Miroslava T. and Janović, Barbara S. and Malešević, Aleksandar and Begović, Nebojša and Senćanski, Milan V. and Minić, Dragica M.",
year = "2016",
abstract = "A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl) bis(ethan-1-yl-1-ylidene)) bis(hydrazin-1-yl-2-ylidene)) bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 +/- 3 mu M), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines",
pages = "108740-108726",
number = "110",
volume = "6",
doi = "10.1039/c6ra24604d"
}

Filipović, N. R., Bjelogrlić, S. K., Todorović, T., Blagojević, V. A., Muller, C. D., Marinković, A., Vujčić, M. T., Janović, B. S., Malešević, A., Begović, N., Senćanski, M. V.,& Minić, D. M.. (2016). Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. in RSC Advances
Royal Soc Chemistry, Cambridge., 6(110), 108726-108740.
https://doi.org/10.1039/c6ra24604d

Filipović NR, Bjelogrlić SK, Todorović T, Blagojević VA, Muller CD, Marinković A, Vujčić MT, Janović BS, Malešević A, Begović N, Senćanski MV, Minić DM. Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. in RSC Advances. 2016;6(110):108726-108740.
doi:10.1039/c6ra24604d .

Filipović, Nenad R., Bjelogrlić, Snežana K., Todorović, Tamara, Blagojević, Vladimir A., Muller, Christian D., Marinković, Aleksandar, Vujčić, Miroslava T., Janović, Barbara S., Malešević, Aleksandar, Begović, Nebojša, Senćanski, Milan V., Minić, Dragica M., "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines" in RSC Advances, 6, no. 110 (2016):108726-108740,
https://doi.org/10.1039/c6ra24604d . .