TY  - JOUR
AU  - Adejumo, Temiloluwa T.
AU  - TZOURAS, NIKOLAOS
AU  - Zorba, Leandros
AU  - Radanović, Dušanka D.
AU  - Pevec, Andrej
AU  - Grubišić, Sonja
AU  - Mitić, Dragana
AU  - Anđelković, Katarina K.
AU  - Vougioukalakis, Georgios
AU  - Čobeljić, Božidar
AU  - Turel, Iztok
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5691
AB  - Two new Zn(II) complexes with tridentate hydrazone-based ligands (condensation products of 2-acetylthiazole) were synthesized and characterized by infrared (IR) and nuclear magnetic resonance (NMR) spectroscopy and single crystal X-ray diffraction methods. The complexes 1, 2 and recently synthesized [ZnL3(NCS)2] (L3 = (E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethan-1-aminium) complex 3 were tested as potential catalysts for the ketone-amine-alkyne (KA2) coupling reaction. The gas-phase geometry optimization of newly synthesized and characterized Zn(II) complexes has been computed at the density functional theory (DFT)/B3LYP/6–31G level of theory, while the highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO and LUMO) energies were calculated within the time-dependent density functional theory (TD-DFT) at B3LYP/6-31G and B3LYP/6-311G(d,p) levels of theory. From the energies of frontier molecular orbitals (HOMO–LUMO), the reactivity descriptors, such as chemical potential (μ), hardness (η), softness (S), electronegativity (χ) and electrophilicity index (ω) have been calculated. The energetic behavior of the investigated compounds (1 and 2) has been examined in gas phase and solvent media using the polarizable continuum model. For comparison reasons, the same calculations have been performed for recently synthesized [ZnL3(NCS)2] complex 3. DFT results show that compound 1 has the smaller frontier orbital gap so, it is more polarizable and is associated with a higher chemical reactivity, low kinetic stability and is termed as soft molecule.
PB  - MDPI
T2  - Molecules
T1  - Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes
VL  - 25
IS  - 18
SP  - 4043
DO  - 10.3390/molecules25184043
ER  - 

@article{
author = "Adejumo, Temiloluwa T. and TZOURAS, NIKOLAOS and Zorba, Leandros and Radanović, Dušanka D. and Pevec, Andrej and Grubišić, Sonja and Mitić, Dragana and Anđelković, Katarina K. and Vougioukalakis, Georgios and Čobeljić, Božidar and Turel, Iztok",
year = "2020",
abstract = "Two new Zn(II) complexes with tridentate hydrazone-based ligands (condensation products of 2-acetylthiazole) were synthesized and characterized by infrared (IR) and nuclear magnetic resonance (NMR) spectroscopy and single crystal X-ray diffraction methods. The complexes 1, 2 and recently synthesized [ZnL3(NCS)2] (L3 = (E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethan-1-aminium) complex 3 were tested as potential catalysts for the ketone-amine-alkyne (KA2) coupling reaction. The gas-phase geometry optimization of newly synthesized and characterized Zn(II) complexes has been computed at the density functional theory (DFT)/B3LYP/6–31G level of theory, while the highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO and LUMO) energies were calculated within the time-dependent density functional theory (TD-DFT) at B3LYP/6-31G and B3LYP/6-311G(d,p) levels of theory. From the energies of frontier molecular orbitals (HOMO–LUMO), the reactivity descriptors, such as chemical potential (μ), hardness (η), softness (S), electronegativity (χ) and electrophilicity index (ω) have been calculated. The energetic behavior of the investigated compounds (1 and 2) has been examined in gas phase and solvent media using the polarizable continuum model. For comparison reasons, the same calculations have been performed for recently synthesized [ZnL3(NCS)2] complex 3. DFT results show that compound 1 has the smaller frontier orbital gap so, it is more polarizable and is associated with a higher chemical reactivity, low kinetic stability and is termed as soft molecule.",
publisher = "MDPI",
journal = "Molecules",
title = "Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes",
volume = "25",
number = "18",
pages = "4043",
doi = "10.3390/molecules25184043"
}

Adejumo, T. T., TZOURAS, N., Zorba, L., Radanović, D. D., Pevec, A., Grubišić, S., Mitić, D., Anđelković, K. K., Vougioukalakis, G., Čobeljić, B.,& Turel, I.. (2020). Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes. in Molecules
MDPI., 25(18), 4043.
https://doi.org/10.3390/molecules25184043

Adejumo TT, TZOURAS N, Zorba L, Radanović DD, Pevec A, Grubišić S, Mitić D, Anđelković KK, Vougioukalakis G, Čobeljić B, Turel I. Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes. in Molecules. 2020;25(18):4043.
doi:10.3390/molecules25184043 .

Adejumo, Temiloluwa T., TZOURAS, NIKOLAOS, Zorba, Leandros, Radanović, Dušanka D., Pevec, Andrej, Grubišić, Sonja, Mitić, Dragana, Anđelković, Katarina K., Vougioukalakis, Georgios, Čobeljić, Božidar, Turel, Iztok, "Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes" in Molecules, 25, no. 18 (2020):4043,
https://doi.org/10.3390/molecules25184043 . .

TY  - JOUR
AU  - Nikolić, Stefan
AU  - Grgurić-Šipka, Sanja
AU  - Đorđević, Ivana S.
AU  - Dahmani, Rahma
AU  - Dekanski, Dragana
AU  - Vidičević, Sašenka
AU  - Tošić, Jelena
AU  - Mitić, Dragana
AU  - Grubišić, Sonja
PY  - 2019
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2934
AB  - In search for antitumor metal-based drugs that would mitigate the severe side-effects of cisplatin, Ru(II) complexes are gaining increasing recent interest. In this work, we report on the synthesis, characterization (1H- and 13C-NMR, FT-IR), and cytotoxicity studies of two new half-sandwich organometallic Ru(II) complexes of the general formula [Ru(η6-arene)(XY)Cl](PF6) where arene = benzene or toluene and XY = bidentates: dipyrido[3,2-a:2′,3′-c]phenazine (dppz) or 2-(9-anthryl)-1H-imidazo[4,5-f][1,10]phenanthroline (aip), which are bound to Ru(II) via two phenanthroline-N atoms in a characteristic “piano-stool” configuration of Ru(II)-arene complexes—as confirmed by vibrational and NMR spectra. In addition, cytotoxic studies were performed for similar half-sandwich organometallic [Ru(η6-p-cymene)(Me2dppz)Cl]PF6 complex (Me2dppz = 11,12-dimethyl-dipyrido[3,2-a:2′,3′-c]phenazine). This study is complemented with elaborate modeling with density functional theory (DFT) calculations, which provided insight into reactive sites of Ru(II) structures, further detailed by molecular docking on the B-DNA dodecamer, which identified binding sites and affinities: most pronounced for the [Ru(η6-benzene)(aip)Cl](PF6) in both A-T and G-C regions of the DNA minor groove. Cytotoxic activity was probed versus tumor cell lines B16, C6, and U251 (B16 mouse melanoma, C6 rat glioma, U251 human glioblastoma) and non-tumor cell line HACAT (HACAT normal human keratinocytes).
PB  - Taylor & Francis
T2  - Journal of Coordination Chemistry
T1  - Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling
VL  - 72
IS  - 1
SP  - 148
EP  - 163
DO  - 10.1080/00958972.2018.1553298
ER  - 

@article{
author = "Nikolić, Stefan and Grgurić-Šipka, Sanja and Đorđević, Ivana S. and Dahmani, Rahma and Dekanski, Dragana and Vidičević, Sašenka and Tošić, Jelena and Mitić, Dragana and Grubišić, Sonja",
year = "2019",
abstract = "In search for antitumor metal-based drugs that would mitigate the severe side-effects of cisplatin, Ru(II) complexes are gaining increasing recent interest. In this work, we report on the synthesis, characterization (1H- and 13C-NMR, FT-IR), and cytotoxicity studies of two new half-sandwich organometallic Ru(II) complexes of the general formula [Ru(η6-arene)(XY)Cl](PF6) where arene = benzene or toluene and XY = bidentates: dipyrido[3,2-a:2′,3′-c]phenazine (dppz) or 2-(9-anthryl)-1H-imidazo[4,5-f][1,10]phenanthroline (aip), which are bound to Ru(II) via two phenanthroline-N atoms in a characteristic “piano-stool” configuration of Ru(II)-arene complexes—as confirmed by vibrational and NMR spectra. In addition, cytotoxic studies were performed for similar half-sandwich organometallic [Ru(η6-p-cymene)(Me2dppz)Cl]PF6 complex (Me2dppz = 11,12-dimethyl-dipyrido[3,2-a:2′,3′-c]phenazine). This study is complemented with elaborate modeling with density functional theory (DFT) calculations, which provided insight into reactive sites of Ru(II) structures, further detailed by molecular docking on the B-DNA dodecamer, which identified binding sites and affinities: most pronounced for the [Ru(η6-benzene)(aip)Cl](PF6) in both A-T and G-C regions of the DNA minor groove. Cytotoxic activity was probed versus tumor cell lines B16, C6, and U251 (B16 mouse melanoma, C6 rat glioma, U251 human glioblastoma) and non-tumor cell line HACAT (HACAT normal human keratinocytes).",
publisher = "Taylor & Francis",
journal = "Journal of Coordination Chemistry",
title = "Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling",
volume = "72",
number = "1",
pages = "148-163",
doi = "10.1080/00958972.2018.1553298"
}

Nikolić, S., Grgurić-Šipka, S., Đorđević, I. S., Dahmani, R., Dekanski, D., Vidičević, S., Tošić, J., Mitić, D.,& Grubišić, S.. (2019). Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling. in Journal of Coordination Chemistry
Taylor & Francis., 72(1), 148-163.
https://doi.org/10.1080/00958972.2018.1553298

Nikolić S, Grgurić-Šipka S, Đorđević IS, Dahmani R, Dekanski D, Vidičević S, Tošić J, Mitić D, Grubišić S. Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling. in Journal of Coordination Chemistry. 2019;72(1):148-163.
doi:10.1080/00958972.2018.1553298 .

Nikolić, Stefan, Grgurić-Šipka, Sanja, Đorđević, Ivana S., Dahmani, Rahma, Dekanski, Dragana, Vidičević, Sašenka, Tošić, Jelena, Mitić, Dragana, Grubišić, Sonja, "Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling" in Journal of Coordination Chemistry, 72, no. 1 (2019):148-163,
https://doi.org/10.1080/00958972.2018.1553298 . .

TY  - DATA
AU  - Nikolić, Stefan
AU  - Grgurić-Šipka, Sanja
AU  - Đorđević, Ivana S.
AU  - Dahmani, Rahma
AU  - Dekanski, Dragana
AU  - Vidičević, Sašenka
AU  - Tošić, Jelena
AU  - Mitić, Dragana
AU  - Grubišić, Sonja
PY  - 2019
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3753
PB  - Taylor & Francis
T2  - Journal of Coordination Chemistry
T1  - Supplementary material for the article: Nikolić, S.; Grgurić-Šipka, S.; Djordjević, I. S.; Dahmani, R.; Dekanski, D.; Vidičević, S.;  Tošić, J.; Mitić, D.; Grubišić, S. Half-Sandwich Ruthenium(II)-Arene Complexes: Synthesis,  Spectroscopic Studies, Biological Properties, and Molecular Modeling. Journal of  Coordination Chemistry 2019, 72 (1), 148–163.  https://doi.org/10.1080/00958972.2018.1553298
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3753
ER  - 

@misc{
author = "Nikolić, Stefan and Grgurić-Šipka, Sanja and Đorđević, Ivana S. and Dahmani, Rahma and Dekanski, Dragana and Vidičević, Sašenka and Tošić, Jelena and Mitić, Dragana and Grubišić, Sonja",
year = "2019",
publisher = "Taylor & Francis",
journal = "Journal of Coordination Chemistry",
title = "Supplementary material for the article: Nikolić, S.; Grgurić-Šipka, S.; Djordjević, I. S.; Dahmani, R.; Dekanski, D.; Vidičević, S.;  Tošić, J.; Mitić, D.; Grubišić, S. Half-Sandwich Ruthenium(II)-Arene Complexes: Synthesis,  Spectroscopic Studies, Biological Properties, and Molecular Modeling. Journal of  Coordination Chemistry 2019, 72 (1), 148–163.  https://doi.org/10.1080/00958972.2018.1553298",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3753"
}

Nikolić, S., Grgurić-Šipka, S., Đorđević, I. S., Dahmani, R., Dekanski, D., Vidičević, S., Tošić, J., Mitić, D.,& Grubišić, S.. (2019). Supplementary material for the article: Nikolić, S.; Grgurić-Šipka, S.; Djordjević, I. S.; Dahmani, R.; Dekanski, D.; Vidičević, S.;  Tošić, J.; Mitić, D.; Grubišić, S. Half-Sandwich Ruthenium(II)-Arene Complexes: Synthesis,  Spectroscopic Studies, Biological Properties, and Molecular Modeling. Journal of  Coordination Chemistry 2019, 72 (1), 148–163.  https://doi.org/10.1080/00958972.2018.1553298. in Journal of Coordination Chemistry
Taylor & Francis..
https://hdl.handle.net/21.15107/rcub_cherry_3753

Nikolić S, Grgurić-Šipka S, Đorđević IS, Dahmani R, Dekanski D, Vidičević S, Tošić J, Mitić D, Grubišić S. Supplementary material for the article: Nikolić, S.; Grgurić-Šipka, S.; Djordjević, I. S.; Dahmani, R.; Dekanski, D.; Vidičević, S.;  Tošić, J.; Mitić, D.; Grubišić, S. Half-Sandwich Ruthenium(II)-Arene Complexes: Synthesis,  Spectroscopic Studies, Biological Properties, and Molecular Modeling. Journal of  Coordination Chemistry 2019, 72 (1), 148–163.  https://doi.org/10.1080/00958972.2018.1553298. in Journal of Coordination Chemistry. 2019;.
https://hdl.handle.net/21.15107/rcub_cherry_3753 .

Nikolić, Stefan, Grgurić-Šipka, Sanja, Đorđević, Ivana S., Dahmani, Rahma, Dekanski, Dragana, Vidičević, Sašenka, Tošić, Jelena, Mitić, Dragana, Grubišić, Sonja, "Supplementary material for the article: Nikolić, S.; Grgurić-Šipka, S.; Djordjević, I. S.; Dahmani, R.; Dekanski, D.; Vidičević, S.;  Tošić, J.; Mitić, D.; Grubišić, S. Half-Sandwich Ruthenium(II)-Arene Complexes: Synthesis,  Spectroscopic Studies, Biological Properties, and Molecular Modeling. Journal of  Coordination Chemistry 2019, 72 (1), 148–163.  https://doi.org/10.1080/00958972.2018.1553298" in Journal of Coordination Chemistry (2019),
https://hdl.handle.net/21.15107/rcub_cherry_3753 .

TY  - JOUR
AU  - Nikolić, Stefan
AU  - Grgurić-Šipka, Sanja
AU  - Đorđević, Ivana S.
AU  - Dahmani, Rahma
AU  - Dekanski, Dragana
AU  - Vidičević, Sašenka
AU  - Tošić, Jelena
AU  - Mitić, Dragana
AU  - Grubišić, Sonja
PY  - 2019
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3758
AB  - In search for antitumor metal-based drugs that would mitigate the severe side-effects of cisplatin, Ru(II) complexes are gaining increasing recent interest. In this work, we report on the synthesis, characterization (1H- and 13C-NMR, FT-IR), and cytotoxicity studies of two new half-sandwich organometallic Ru(II) complexes of the general formula [Ru(η6-arene)(XY)Cl](PF6) where arene = benzene or toluene and XY = bidentates: dipyrido[3,2-a:2′,3′-c]phenazine (dppz) or 2-(9-anthryl)-1H-imidazo[4,5-f][1,10]phenanthroline (aip), which are bound to Ru(II) via two phenanthroline-N atoms in a characteristic “piano-stool” configuration of Ru(II)-arene complexes—as confirmed by vibrational and NMR spectra. In addition, cytotoxic studies were performed for similar half-sandwich organometallic [Ru(η6-p-cymene)(Me2dppz)Cl]PF6 complex (Me2dppz = 11,12-dimethyl-dipyrido[3,2-a:2′,3′-c]phenazine). This study is complemented with elaborate modeling with density functional theory (DFT) calculations, which provided insight into reactive sites of Ru(II) structures, further detailed by molecular docking on the B-DNA dodecamer, which identified binding sites and affinities: most pronounced for the [Ru(η6-benzene)(aip)Cl](PF6) in both A-T and G-C regions of the DNA minor groove. Cytotoxic activity was probed versus tumor cell lines B16, C6, and U251 (B16 mouse melanoma, C6 rat glioma, U251 human glioblastoma) and non-tumor cell line HACAT (HACAT normal human keratinocytes).
PB  - Taylor & Francis
T2  - Journal of Coordination Chemistry
T1  - Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling
VL  - 72
IS  - 1
SP  - 148
EP  - 163
DO  - 10.1080/00958972.2018.1553298
ER  - 

@article{
author = "Nikolić, Stefan and Grgurić-Šipka, Sanja and Đorđević, Ivana S. and Dahmani, Rahma and Dekanski, Dragana and Vidičević, Sašenka and Tošić, Jelena and Mitić, Dragana and Grubišić, Sonja",
year = "2019",
abstract = "In search for antitumor metal-based drugs that would mitigate the severe side-effects of cisplatin, Ru(II) complexes are gaining increasing recent interest. In this work, we report on the synthesis, characterization (1H- and 13C-NMR, FT-IR), and cytotoxicity studies of two new half-sandwich organometallic Ru(II) complexes of the general formula [Ru(η6-arene)(XY)Cl](PF6) where arene = benzene or toluene and XY = bidentates: dipyrido[3,2-a:2′,3′-c]phenazine (dppz) or 2-(9-anthryl)-1H-imidazo[4,5-f][1,10]phenanthroline (aip), which are bound to Ru(II) via two phenanthroline-N atoms in a characteristic “piano-stool” configuration of Ru(II)-arene complexes—as confirmed by vibrational and NMR spectra. In addition, cytotoxic studies were performed for similar half-sandwich organometallic [Ru(η6-p-cymene)(Me2dppz)Cl]PF6 complex (Me2dppz = 11,12-dimethyl-dipyrido[3,2-a:2′,3′-c]phenazine). This study is complemented with elaborate modeling with density functional theory (DFT) calculations, which provided insight into reactive sites of Ru(II) structures, further detailed by molecular docking on the B-DNA dodecamer, which identified binding sites and affinities: most pronounced for the [Ru(η6-benzene)(aip)Cl](PF6) in both A-T and G-C regions of the DNA minor groove. Cytotoxic activity was probed versus tumor cell lines B16, C6, and U251 (B16 mouse melanoma, C6 rat glioma, U251 human glioblastoma) and non-tumor cell line HACAT (HACAT normal human keratinocytes).",
publisher = "Taylor & Francis",
journal = "Journal of Coordination Chemistry",
title = "Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling",
volume = "72",
number = "1",
pages = "148-163",
doi = "10.1080/00958972.2018.1553298"
}

Nikolić, S., Grgurić-Šipka, S., Đorđević, I. S., Dahmani, R., Dekanski, D., Vidičević, S., Tošić, J., Mitić, D.,& Grubišić, S.. (2019). Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling. in Journal of Coordination Chemistry
Taylor & Francis., 72(1), 148-163.
https://doi.org/10.1080/00958972.2018.1553298

Nikolić S, Grgurić-Šipka S, Đorđević IS, Dahmani R, Dekanski D, Vidičević S, Tošić J, Mitić D, Grubišić S. Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling. in Journal of Coordination Chemistry. 2019;72(1):148-163.
doi:10.1080/00958972.2018.1553298 .

Nikolić, Stefan, Grgurić-Šipka, Sanja, Đorđević, Ivana S., Dahmani, Rahma, Dekanski, Dragana, Vidičević, Sašenka, Tošić, Jelena, Mitić, Dragana, Grubišić, Sonja, "Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling" in Journal of Coordination Chemistry, 72, no. 1 (2019):148-163,
https://doi.org/10.1080/00958972.2018.1553298 . .

TY  - JOUR
AU  - Anđelković, Katarina K.
AU  - Pevec, Andrej
AU  - Grubišić, Sonja
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Milenković, Milica R.
AU  - Keskic, Tanja
AU  - Radanović, Dušanka D.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3188
AB  - The mixed chloride-azide [ZnL(N-3)(1.65)Cl-0.35] (1) and chloride-isocyanate [CdL(NCO)(1.64)Cl-0.36] (2) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium aceto-hydrazide chloride (Girard's T reagent) (HLCl) have been prepared and characterized by X-ray crystallography. In complexes 1 and 2, Znl and Cd1 ions, respectively, are five-coordinated in a distorted square based pyramidal geometry with NNO set of donor atoms of deprotonated hydrazone ligand and two monodentate ligands N-3(-) and/or N-3(-) and Cl- in the case of I and OCN- and/or OCN- and Cl- in the case of 2. The structural parameters of 1 and 2 have been discussed in relation to those of previously reported M(II) complexes with the same hydrazone ligand. Density functional theory calculations have been employed to study the interaction between the Zn2+ and Cd2+ ions and ligands. High affinity of ligands towards the Zn2+ and Cd2+ ions are predicted for both complexes. (C) 2018 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent
VL  - 1162
SP  - 63
EP  - 70
DO  - 10.1016/j.molstruc.2018.02.074
ER  - 

@article{
author = "Anđelković, Katarina K. and Pevec, Andrej and Grubišić, Sonja and Turel, Iztok and Čobeljić, Božidar and Milenković, Milica R. and Keskic, Tanja and Radanović, Dušanka D.",
year = "2018",
abstract = "The mixed chloride-azide [ZnL(N-3)(1.65)Cl-0.35] (1) and chloride-isocyanate [CdL(NCO)(1.64)Cl-0.36] (2) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium aceto-hydrazide chloride (Girard's T reagent) (HLCl) have been prepared and characterized by X-ray crystallography. In complexes 1 and 2, Znl and Cd1 ions, respectively, are five-coordinated in a distorted square based pyramidal geometry with NNO set of donor atoms of deprotonated hydrazone ligand and two monodentate ligands N-3(-) and/or N-3(-) and Cl- in the case of I and OCN- and/or OCN- and Cl- in the case of 2. The structural parameters of 1 and 2 have been discussed in relation to those of previously reported M(II) complexes with the same hydrazone ligand. Density functional theory calculations have been employed to study the interaction between the Zn2+ and Cd2+ ions and ligands. High affinity of ligands towards the Zn2+ and Cd2+ ions are predicted for both complexes. (C) 2018 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent",
volume = "1162",
pages = "63-70",
doi = "10.1016/j.molstruc.2018.02.074"
}

Anđelković, K. K., Pevec, A., Grubišić, S., Turel, I., Čobeljić, B., Milenković, M. R., Keskic, T.,& Radanović, D. D.. (2018). Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 1162, 63-70.
https://doi.org/10.1016/j.molstruc.2018.02.074

Anđelković KK, Pevec A, Grubišić S, Turel I, Čobeljić B, Milenković MR, Keskic T, Radanović DD. Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Journal of Molecular Structure. 2018;1162:63-70.
doi:10.1016/j.molstruc.2018.02.074 .

Anđelković, Katarina K., Pevec, Andrej, Grubišić, Sonja, Turel, Iztok, Čobeljić, Božidar, Milenković, Milica R., Keskic, Tanja, Radanović, Dušanka D., "Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent" in Journal of Molecular Structure, 1162 (2018):63-70,
https://doi.org/10.1016/j.molstruc.2018.02.074 . .

TY  - JOUR
AU  - Romanović, Mima
AU  - Milenković, Milica R.
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Spasojević, Vojislav
AU  - Grubišić, Sonja
AU  - Radanović, Dušanka D.
AU  - Anđelković, Katarina K.
AU  - Čobeljić, Božidar
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3193
AB  - A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)). (C) 2017 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent
VL  - 139
SP  - 142
EP  - 147
DO  - 10.1016/j.poly.2017.10.018
ER  - 

@article{
author = "Romanović, Mima and Milenković, Milica R. and Pevec, Andrej and Turel, Iztok and Spasojević, Vojislav and Grubišić, Sonja and Radanović, Dušanka D. and Anđelković, Katarina K. and Čobeljić, Božidar",
year = "2018",
abstract = "A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)). (C) 2017 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent",
volume = "139",
pages = "142-147",
doi = "10.1016/j.poly.2017.10.018"
}

Romanović, M., Milenković, M. R., Pevec, A., Turel, I., Spasojević, V., Grubišić, S., Radanović, D. D., Anđelković, K. K.,& Čobeljić, B.. (2018). Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Polyhedron
Pergamon-Elsevier Science Ltd, Oxford., 139, 142-147.
https://doi.org/10.1016/j.poly.2017.10.018

Romanović M, Milenković MR, Pevec A, Turel I, Spasojević V, Grubišić S, Radanović DD, Anđelković KK, Čobeljić B. Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Polyhedron. 2018;139:142-147.
doi:10.1016/j.poly.2017.10.018 .

Romanović, Mima, Milenković, Milica R., Pevec, Andrej, Turel, Iztok, Spasojević, Vojislav, Grubišić, Sonja, Radanović, Dušanka D., Anđelković, Katarina K., Čobeljić, Božidar, "Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent" in Polyhedron, 139 (2018):142-147,
https://doi.org/10.1016/j.poly.2017.10.018 . .

TY  - DATA
AU  - Romanović, Mima
AU  - Milenković, Milica R.
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Spasojević, Vojislav
AU  - Grubišić, Sonja
AU  - Radanović, Dušanka D.
AU  - Anđelković, Katarina K.
AU  - Čobeljić, Božidar
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3194
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Supplementary material for the article: Romanović, M. Č.; Milenković, M. R.; Pevec, A.; Turel, I.; Spasojević, V.; Grubišić, S.;  Radanović, D.; Anđelković, K.; Čobeljić, B. Crystal Structures, Magnetic Properties and DFT  Study of Cobalt(II) Azido Complexes with the Condensation Product of 2 Quinolinecarboxaldehyde and Girard’s T Reagent. Polyhedron 2018, 139, 142–147.  https://doi.org/10.1016/j.poly.2017.10.018
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3194
ER  - 

@misc{
author = "Romanović, Mima and Milenković, Milica R. and Pevec, Andrej and Turel, Iztok and Spasojević, Vojislav and Grubišić, Sonja and Radanović, Dušanka D. and Anđelković, Katarina K. and Čobeljić, Božidar",
year = "2018",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Supplementary material for the article: Romanović, M. Č.; Milenković, M. R.; Pevec, A.; Turel, I.; Spasojević, V.; Grubišić, S.;  Radanović, D.; Anđelković, K.; Čobeljić, B. Crystal Structures, Magnetic Properties and DFT  Study of Cobalt(II) Azido Complexes with the Condensation Product of 2 Quinolinecarboxaldehyde and Girard’s T Reagent. Polyhedron 2018, 139, 142–147.  https://doi.org/10.1016/j.poly.2017.10.018",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3194"
}

Romanović, M., Milenković, M. R., Pevec, A., Turel, I., Spasojević, V., Grubišić, S., Radanović, D. D., Anđelković, K. K.,& Čobeljić, B.. (2018). Supplementary material for the article: Romanović, M. Č.; Milenković, M. R.; Pevec, A.; Turel, I.; Spasojević, V.; Grubišić, S.;  Radanović, D.; Anđelković, K.; Čobeljić, B. Crystal Structures, Magnetic Properties and DFT  Study of Cobalt(II) Azido Complexes with the Condensation Product of 2 Quinolinecarboxaldehyde and Girard’s T Reagent. Polyhedron 2018, 139, 142–147.  https://doi.org/10.1016/j.poly.2017.10.018. in Polyhedron
Pergamon-Elsevier Science Ltd, Oxford..
https://hdl.handle.net/21.15107/rcub_cherry_3194

Romanović M, Milenković MR, Pevec A, Turel I, Spasojević V, Grubišić S, Radanović DD, Anđelković KK, Čobeljić B. Supplementary material for the article: Romanović, M. Č.; Milenković, M. R.; Pevec, A.; Turel, I.; Spasojević, V.; Grubišić, S.;  Radanović, D.; Anđelković, K.; Čobeljić, B. Crystal Structures, Magnetic Properties and DFT  Study of Cobalt(II) Azido Complexes with the Condensation Product of 2 Quinolinecarboxaldehyde and Girard’s T Reagent. Polyhedron 2018, 139, 142–147.  https://doi.org/10.1016/j.poly.2017.10.018. in Polyhedron. 2018;.
https://hdl.handle.net/21.15107/rcub_cherry_3194 .

Romanović, Mima, Milenković, Milica R., Pevec, Andrej, Turel, Iztok, Spasojević, Vojislav, Grubišić, Sonja, Radanović, Dušanka D., Anđelković, Katarina K., Čobeljić, Božidar, "Supplementary material for the article: Romanović, M. Č.; Milenković, M. R.; Pevec, A.; Turel, I.; Spasojević, V.; Grubišić, S.;  Radanović, D.; Anđelković, K.; Čobeljić, B. Crystal Structures, Magnetic Properties and DFT  Study of Cobalt(II) Azido Complexes with the Condensation Product of 2 Quinolinecarboxaldehyde and Girard’s T Reagent. Polyhedron 2018, 139, 142–147.  https://doi.org/10.1016/j.poly.2017.10.018" in Polyhedron (2018),
https://hdl.handle.net/21.15107/rcub_cherry_3194 .

TY  - JOUR
AU  - Elshaflu, Hana
AU  - Todorović, Tamara
AU  - Nikolić, Milan
AU  - Lolić, Aleksandar
AU  - Višnjevac, Aleksandar
AU  - Hagenow, Stefanie
AU  - Padrón, José M.
AU  - Garcia-Sosa, Alfonso T.
AU  - Đorđević, Ivana S.
AU  - Grubišić, Sonja
AU  - Stark, Holger
AU  - Filipović, Nenad R.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2172
AB  - The novel approach in the treatment of complex multifactorial diseases, such as neurodegenerative disorders and cancer, requires a development of efficient multi-targeting oriented drugs. Since oxidative stress significantly contributes to the pathogenesis of cancer and neurodegenerative disorders, potential drug candidates should possess good antioxidant properties Due to promising biological activities shown for structurally related (1,3-thiazol-2-yl)hydrazones, a focused library of 12 structurally related benzylidene-based (1,3-selenazol-2-yl)hydrazones was designed as potential multi-targeting compounds. Monoamine oxidases (MAO) A/B inhibition properties of this class of compounds have been investigated. Surprisingly, the p-nitrophenyl-substituted (1,3-selenazol-2-yl)hydrazone 4 showed MAO B inhibition in a nanomolar concentration range (IC50 = 73 nM). Excellent antioxidant properties were confirmed in a number of different in vitro assays. Antiproliferative activity screening on a panel of six human solid tumor cell lines showed that potencies of some of the investigated compounds was comparable or even better than that of the positive control 5-fluorouracil. In-silico calculations of ADME properties pointed to promising good pharmacokinetic profiles of investigated compounds. Docking studies suggest that some compounds, compared to positive controls, have the ability to strongly interact with targets relevant to cancer such as 5'-nucleotidase, and to neurodegenerative diseases such as the small conductance calcium-activated potassium channel protein 1, in addition to confirmation of inhibitory binding at MAO B.
PB  - Frontiers Media Sa, Lausanne
T2  - FRONTIERS IN CHEMISTRY
T1  - Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies
VL  - 6
DO  - 10.3389/fchem.2018.00247
ER  - 

@article{
author = "Elshaflu, Hana and Todorović, Tamara and Nikolić, Milan and Lolić, Aleksandar and Višnjevac, Aleksandar and Hagenow, Stefanie and Padrón, José M. and Garcia-Sosa, Alfonso T. and Đorđević, Ivana S. and Grubišić, Sonja and Stark, Holger and Filipović, Nenad R.",
year = "2018",
abstract = "The novel approach in the treatment of complex multifactorial diseases, such as neurodegenerative disorders and cancer, requires a development of efficient multi-targeting oriented drugs. Since oxidative stress significantly contributes to the pathogenesis of cancer and neurodegenerative disorders, potential drug candidates should possess good antioxidant properties Due to promising biological activities shown for structurally related (1,3-thiazol-2-yl)hydrazones, a focused library of 12 structurally related benzylidene-based (1,3-selenazol-2-yl)hydrazones was designed as potential multi-targeting compounds. Monoamine oxidases (MAO) A/B inhibition properties of this class of compounds have been investigated. Surprisingly, the p-nitrophenyl-substituted (1,3-selenazol-2-yl)hydrazone 4 showed MAO B inhibition in a nanomolar concentration range (IC50 = 73 nM). Excellent antioxidant properties were confirmed in a number of different in vitro assays. Antiproliferative activity screening on a panel of six human solid tumor cell lines showed that potencies of some of the investigated compounds was comparable or even better than that of the positive control 5-fluorouracil. In-silico calculations of ADME properties pointed to promising good pharmacokinetic profiles of investigated compounds. Docking studies suggest that some compounds, compared to positive controls, have the ability to strongly interact with targets relevant to cancer such as 5'-nucleotidase, and to neurodegenerative diseases such as the small conductance calcium-activated potassium channel protein 1, in addition to confirmation of inhibitory binding at MAO B.",
publisher = "Frontiers Media Sa, Lausanne",
journal = "FRONTIERS IN CHEMISTRY",
title = "Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies",
volume = "6",
doi = "10.3389/fchem.2018.00247"
}

Elshaflu, H., Todorović, T., Nikolić, M., Lolić, A., Višnjevac, A., Hagenow, S., Padrón, J. M., Garcia-Sosa, A. T., Đorđević, I. S., Grubišić, S., Stark, H.,& Filipović, N. R.. (2018). Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies. in FRONTIERS IN CHEMISTRY
Frontiers Media Sa, Lausanne., 6.
https://doi.org/10.3389/fchem.2018.00247

Elshaflu H, Todorović T, Nikolić M, Lolić A, Višnjevac A, Hagenow S, Padrón JM, Garcia-Sosa AT, Đorđević IS, Grubišić S, Stark H, Filipović NR. Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies. in FRONTIERS IN CHEMISTRY. 2018;6.
doi:10.3389/fchem.2018.00247 .

Elshaflu, Hana, Todorović, Tamara, Nikolić, Milan, Lolić, Aleksandar, Višnjevac, Aleksandar, Hagenow, Stefanie, Padrón, José M., Garcia-Sosa, Alfonso T., Đorđević, Ivana S., Grubišić, Sonja, Stark, Holger, Filipović, Nenad R., "Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies" in FRONTIERS IN CHEMISTRY, 6 (2018),
https://doi.org/10.3389/fchem.2018.00247 . .

TY  - DATA
AU  - Elshaflu, Hana
AU  - Todorović, Tamara
AU  - Nikolić, Milan
AU  - Lolić, Aleksandar
AU  - Višnjevac, Aleksandar
AU  - Hagenow, Stefanie
AU  - Padrón, José M.
AU  - Garcia-Sosa, Alfonso T.
AU  - Đorđević, Ivana S.
AU  - Grubišić, Sonja
AU  - Stark, Holger
AU  - Filipović, Nenad R.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3254
PB  - Frontiers Media Sa, Lausanne
T2  - FRONTIERS IN CHEMISTRY
T1  - Supplementary material for the article: Elshaflu, H.; Todorović, T. R.; Nikolić, M.; Lolić, A.; Višnjevac, A.; Hagenow, S.; Padrón, J. M.; García-Sosa, A. T.; Djordjevic, I. S.; Grubišic, S.; et al. Selenazolyl-Hydrazones as Novel Selective MAO Inhibitors with Antiproliferative and Antioxidant Activities: Experimental and In-Silico Studies. Frontiers in Chemistry 2018, 6 (JUL). https://doi.org/10.3389/fchem.2018.00247
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3254
ER  - 

@misc{
author = "Elshaflu, Hana and Todorović, Tamara and Nikolić, Milan and Lolić, Aleksandar and Višnjevac, Aleksandar and Hagenow, Stefanie and Padrón, José M. and Garcia-Sosa, Alfonso T. and Đorđević, Ivana S. and Grubišić, Sonja and Stark, Holger and Filipović, Nenad R.",
year = "2018",
publisher = "Frontiers Media Sa, Lausanne",
journal = "FRONTIERS IN CHEMISTRY",
title = "Supplementary material for the article: Elshaflu, H.; Todorović, T. R.; Nikolić, M.; Lolić, A.; Višnjevac, A.; Hagenow, S.; Padrón, J. M.; García-Sosa, A. T.; Djordjevic, I. S.; Grubišic, S.; et al. Selenazolyl-Hydrazones as Novel Selective MAO Inhibitors with Antiproliferative and Antioxidant Activities: Experimental and In-Silico Studies. Frontiers in Chemistry 2018, 6 (JUL). https://doi.org/10.3389/fchem.2018.00247",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3254"
}

Elshaflu, H., Todorović, T., Nikolić, M., Lolić, A., Višnjevac, A., Hagenow, S., Padrón, J. M., Garcia-Sosa, A. T., Đorđević, I. S., Grubišić, S., Stark, H.,& Filipović, N. R.. (2018). Supplementary material for the article: Elshaflu, H.; Todorović, T. R.; Nikolić, M.; Lolić, A.; Višnjevac, A.; Hagenow, S.; Padrón, J. M.; García-Sosa, A. T.; Djordjevic, I. S.; Grubišic, S.; et al. Selenazolyl-Hydrazones as Novel Selective MAO Inhibitors with Antiproliferative and Antioxidant Activities: Experimental and In-Silico Studies. Frontiers in Chemistry 2018, 6 (JUL). https://doi.org/10.3389/fchem.2018.00247. in FRONTIERS IN CHEMISTRY
Frontiers Media Sa, Lausanne..
https://hdl.handle.net/21.15107/rcub_cherry_3254

Elshaflu H, Todorović T, Nikolić M, Lolić A, Višnjevac A, Hagenow S, Padrón JM, Garcia-Sosa AT, Đorđević IS, Grubišić S, Stark H, Filipović NR. Supplementary material for the article: Elshaflu, H.; Todorović, T. R.; Nikolić, M.; Lolić, A.; Višnjevac, A.; Hagenow, S.; Padrón, J. M.; García-Sosa, A. T.; Djordjevic, I. S.; Grubišic, S.; et al. Selenazolyl-Hydrazones as Novel Selective MAO Inhibitors with Antiproliferative and Antioxidant Activities: Experimental and In-Silico Studies. Frontiers in Chemistry 2018, 6 (JUL). https://doi.org/10.3389/fchem.2018.00247. in FRONTIERS IN CHEMISTRY. 2018;.
https://hdl.handle.net/21.15107/rcub_cherry_3254 .

Elshaflu, Hana, Todorović, Tamara, Nikolić, Milan, Lolić, Aleksandar, Višnjevac, Aleksandar, Hagenow, Stefanie, Padrón, José M., Garcia-Sosa, Alfonso T., Đorđević, Ivana S., Grubišić, Sonja, Stark, Holger, Filipović, Nenad R., "Supplementary material for the article: Elshaflu, H.; Todorović, T. R.; Nikolić, M.; Lolić, A.; Višnjevac, A.; Hagenow, S.; Padrón, J. M.; García-Sosa, A. T.; Djordjevic, I. S.; Grubišic, S.; et al. Selenazolyl-Hydrazones as Novel Selective MAO Inhibitors with Antiproliferative and Antioxidant Activities: Experimental and In-Silico Studies. Frontiers in Chemistry 2018, 6 (JUL). https://doi.org/10.3389/fchem.2018.00247" in FRONTIERS IN CHEMISTRY (2018),
https://hdl.handle.net/21.15107/rcub_cherry_3254 .

TY  - JOUR
AU  - Romanović, Mima
AU  - Milenković, Milica R.
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Spasojević, Vojislav
AU  - Grubišić, Sonja
AU  - Radanović, Dušanka D.
AU  - Anđelković, Katarina K.
AU  - Čobeljić, Božidar
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2580
AB  - A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)). (C) 2017 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent
VL  - 139
SP  - 142
EP  - 147
DO  - 10.1016/j.poly.2017.10.018
ER  - 

@article{
author = "Romanović, Mima and Milenković, Milica R. and Pevec, Andrej and Turel, Iztok and Spasojević, Vojislav and Grubišić, Sonja and Radanović, Dušanka D. and Anđelković, Katarina K. and Čobeljić, Božidar",
year = "2018",
abstract = "A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)). (C) 2017 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent",
volume = "139",
pages = "142-147",
doi = "10.1016/j.poly.2017.10.018"
}

Romanović, M., Milenković, M. R., Pevec, A., Turel, I., Spasojević, V., Grubišić, S., Radanović, D. D., Anđelković, K. K.,& Čobeljić, B.. (2018). Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Polyhedron
Pergamon-Elsevier Science Ltd, Oxford., 139, 142-147.
https://doi.org/10.1016/j.poly.2017.10.018

Romanović M, Milenković MR, Pevec A, Turel I, Spasojević V, Grubišić S, Radanović DD, Anđelković KK, Čobeljić B. Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Polyhedron. 2018;139:142-147.
doi:10.1016/j.poly.2017.10.018 .

Romanović, Mima, Milenković, Milica R., Pevec, Andrej, Turel, Iztok, Spasojević, Vojislav, Grubišić, Sonja, Radanović, Dušanka D., Anđelković, Katarina K., Čobeljić, Božidar, "Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent" in Polyhedron, 139 (2018):142-147,
https://doi.org/10.1016/j.poly.2017.10.018 . .

TY  - JOUR
AU  - Anđelković, Katarina K.
AU  - Pevec, Andrej
AU  - Grubišić, Sonja
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Milenković, Milica R.
AU  - Keskic, Tanja
AU  - Radanović, Dušanka D.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2125
AB  - The mixed chloride-azide [ZnL(N-3)(1.65)Cl-0.35] (1) and chloride-isocyanate [CdL(NCO)(1.64)Cl-0.36] (2) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium aceto-hydrazide chloride (Girard's T reagent) (HLCl) have been prepared and characterized by X-ray crystallography. In complexes 1 and 2, Znl and Cd1 ions, respectively, are five-coordinated in a distorted square based pyramidal geometry with NNO set of donor atoms of deprotonated hydrazone ligand and two monodentate ligands N-3(-) and/or N-3(-) and Cl- in the case of I and OCN- and/or OCN- and Cl- in the case of 2. The structural parameters of 1 and 2 have been discussed in relation to those of previously reported M(II) complexes with the same hydrazone ligand. Density functional theory calculations have been employed to study the interaction between the Zn2+ and Cd2+ ions and ligands. High affinity of ligands towards the Zn2+ and Cd2+ ions are predicted for both complexes. (C) 2018 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent
VL  - 1162
SP  - 63
EP  - 70
DO  - 10.1016/j.molstruc.2018.02.074
ER  - 

@article{
author = "Anđelković, Katarina K. and Pevec, Andrej and Grubišić, Sonja and Turel, Iztok and Čobeljić, Božidar and Milenković, Milica R. and Keskic, Tanja and Radanović, Dušanka D.",
year = "2018",
abstract = "The mixed chloride-azide [ZnL(N-3)(1.65)Cl-0.35] (1) and chloride-isocyanate [CdL(NCO)(1.64)Cl-0.36] (2) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium aceto-hydrazide chloride (Girard's T reagent) (HLCl) have been prepared and characterized by X-ray crystallography. In complexes 1 and 2, Znl and Cd1 ions, respectively, are five-coordinated in a distorted square based pyramidal geometry with NNO set of donor atoms of deprotonated hydrazone ligand and two monodentate ligands N-3(-) and/or N-3(-) and Cl- in the case of I and OCN- and/or OCN- and Cl- in the case of 2. The structural parameters of 1 and 2 have been discussed in relation to those of previously reported M(II) complexes with the same hydrazone ligand. Density functional theory calculations have been employed to study the interaction between the Zn2+ and Cd2+ ions and ligands. High affinity of ligands towards the Zn2+ and Cd2+ ions are predicted for both complexes. (C) 2018 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent",
volume = "1162",
pages = "63-70",
doi = "10.1016/j.molstruc.2018.02.074"
}

Anđelković, K. K., Pevec, A., Grubišić, S., Turel, I., Čobeljić, B., Milenković, M. R., Keskic, T.,& Radanović, D. D.. (2018). Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 1162, 63-70.
https://doi.org/10.1016/j.molstruc.2018.02.074

Anđelković KK, Pevec A, Grubišić S, Turel I, Čobeljić B, Milenković MR, Keskic T, Radanović DD. Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Journal of Molecular Structure. 2018;1162:63-70.
doi:10.1016/j.molstruc.2018.02.074 .

Anđelković, Katarina K., Pevec, Andrej, Grubišić, Sonja, Turel, Iztok, Čobeljić, Božidar, Milenković, Milica R., Keskic, Tanja, Radanović, Dušanka D., "Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent" in Journal of Molecular Structure, 1162 (2018):63-70,
https://doi.org/10.1016/j.molstruc.2018.02.074 . .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Elshaflu, Hana
AU  - Grubišić, Sonja
AU  - Jovanović, Ljiljana S.
AU  - Rodić, Marko
AU  - Novaković, Irena T.
AU  - Malešević, Aleksandar
AU  - Đorđević, Ivana S.
AU  - Li, Haidong
AU  - Šojić, Nešo
AU  - Marinković, Aleksandar
AU  - Todorović, Tamara
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2430
AB  - The first Co(III) complexes with (1,3-selenazol-2-yl)hydrazones as an unexplored class of ligands were prepared and characterized by NMR spectroscopy and X-ray diffraction analysis. The novel ligands act as NNN tridentate chelators forming octahedral Co(III) complexes. The impact of structural changes on ligands' periphery as well as that of isosteric replacement of sulphur with selenium on the electrochemical and electronic absorption features of complexes are explored. To support the experimental data, density functional theory (DFT) calculations were also conducted. Theoretical NMR chemical shifts, the relative energies and natural bond orbital (NBO) analysis are calculated within the DFT approach, while the singlet excited state energies and HOMO-LUMO energy gap were calculated with time-dependent density functional theory (TD-DFT). The electrophilic f(-) and nucleophilic f(+) Fukui functions are well adapted to find the electrophile and nucleophile centres in the molecules. Both (1,3-selenazol-2-yl)- and (1,3-thiazol-2-yl) hydrazone Co(III) complexes showed potent antimicrobial and antioxidant activity. A significant difference among them was a smaller cytotoxicity of selenium compounds.
PB  - Royal Soc Chemistry, Cambridge
T2  - Dalton Transactions
T1  - Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues
VL  - 46
IS  - 9
SP  - 2910
EP  - 2924
DO  - 10.1039/c6dt04785h
ER  - 

@article{
author = "Filipović, Nenad R. and Elshaflu, Hana and Grubišić, Sonja and Jovanović, Ljiljana S. and Rodić, Marko and Novaković, Irena T. and Malešević, Aleksandar and Đorđević, Ivana S. and Li, Haidong and Šojić, Nešo and Marinković, Aleksandar and Todorović, Tamara",
year = "2017",
abstract = "The first Co(III) complexes with (1,3-selenazol-2-yl)hydrazones as an unexplored class of ligands were prepared and characterized by NMR spectroscopy and X-ray diffraction analysis. The novel ligands act as NNN tridentate chelators forming octahedral Co(III) complexes. The impact of structural changes on ligands' periphery as well as that of isosteric replacement of sulphur with selenium on the electrochemical and electronic absorption features of complexes are explored. To support the experimental data, density functional theory (DFT) calculations were also conducted. Theoretical NMR chemical shifts, the relative energies and natural bond orbital (NBO) analysis are calculated within the DFT approach, while the singlet excited state energies and HOMO-LUMO energy gap were calculated with time-dependent density functional theory (TD-DFT). The electrophilic f(-) and nucleophilic f(+) Fukui functions are well adapted to find the electrophile and nucleophile centres in the molecules. Both (1,3-selenazol-2-yl)- and (1,3-thiazol-2-yl) hydrazone Co(III) complexes showed potent antimicrobial and antioxidant activity. A significant difference among them was a smaller cytotoxicity of selenium compounds.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Dalton Transactions",
title = "Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues",
volume = "46",
number = "9",
pages = "2910-2924",
doi = "10.1039/c6dt04785h"
}

Filipović, N. R., Elshaflu, H., Grubišić, S., Jovanović, L. S., Rodić, M., Novaković, I. T., Malešević, A., Đorđević, I. S., Li, H., Šojić, N., Marinković, A.,& Todorović, T.. (2017). Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues. in Dalton Transactions
Royal Soc Chemistry, Cambridge., 46(9), 2910-2924.
https://doi.org/10.1039/c6dt04785h

Filipović NR, Elshaflu H, Grubišić S, Jovanović LS, Rodić M, Novaković IT, Malešević A, Đorđević IS, Li H, Šojić N, Marinković A, Todorović T. Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues. in Dalton Transactions. 2017;46(9):2910-2924.
doi:10.1039/c6dt04785h .

Filipović, Nenad R., Elshaflu, Hana, Grubišić, Sonja, Jovanović, Ljiljana S., Rodić, Marko, Novaković, Irena T., Malešević, Aleksandar, Đorđević, Ivana S., Li, Haidong, Šojić, Nešo, Marinković, Aleksandar, Todorović, Tamara, "Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues" in Dalton Transactions, 46, no. 9 (2017):2910-2924,
https://doi.org/10.1039/c6dt04785h . .

TY  - DATA
AU  - Filipović, Nenad R.
AU  - Elshaflu, Hana
AU  - Grubišić, Sonja
AU  - Jovanović, Ljiljana S.
AU  - Rodić, Marko
AU  - Novaković, Irena T.
AU  - Malešević, Aleksandar
AU  - Đorđević, Ivana S.
AU  - Li, Haidong
AU  - Šojić, Nešo
AU  - Marinković, Aleksandar
AU  - Todorović, Tamara
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3095
PB  - Royal Soc Chemistry, Cambridge
T2  - Dalton Transactions
T1  - Supplementary data for article:            Filipović, N. R.; Elshaflu, H.; Grubišić, S.; Jovanović, L. S.; Rodić, M.; Novaković, I.; Malešević, A.; Djordjević, I. S.; Li, H.; Šojić, N.; et al. Co(III) Complexes of (1,3-Selenazol-2-Yl)Hydrazones and Their Sulphur Analogues. Dalton Transactions 2017, 46 (9), 2910–2924. https://doi.org/10.1039/c6dt04785h
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3095
ER  - 

@misc{
author = "Filipović, Nenad R. and Elshaflu, Hana and Grubišić, Sonja and Jovanović, Ljiljana S. and Rodić, Marko and Novaković, Irena T. and Malešević, Aleksandar and Đorđević, Ivana S. and Li, Haidong and Šojić, Nešo and Marinković, Aleksandar and Todorović, Tamara",
year = "2017",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Dalton Transactions",
title = "Supplementary data for article:            Filipović, N. R.; Elshaflu, H.; Grubišić, S.; Jovanović, L. S.; Rodić, M.; Novaković, I.; Malešević, A.; Djordjević, I. S.; Li, H.; Šojić, N.; et al. Co(III) Complexes of (1,3-Selenazol-2-Yl)Hydrazones and Their Sulphur Analogues. Dalton Transactions 2017, 46 (9), 2910–2924. https://doi.org/10.1039/c6dt04785h",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3095"
}

Filipović, N. R., Elshaflu, H., Grubišić, S., Jovanović, L. S., Rodić, M., Novaković, I. T., Malešević, A., Đorđević, I. S., Li, H., Šojić, N., Marinković, A.,& Todorović, T.. (2017). Supplementary data for article:            Filipović, N. R.; Elshaflu, H.; Grubišić, S.; Jovanović, L. S.; Rodić, M.; Novaković, I.; Malešević, A.; Djordjević, I. S.; Li, H.; Šojić, N.; et al. Co(III) Complexes of (1,3-Selenazol-2-Yl)Hydrazones and Their Sulphur Analogues. Dalton Transactions 2017, 46 (9), 2910–2924. https://doi.org/10.1039/c6dt04785h. in Dalton Transactions
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3095

Filipović NR, Elshaflu H, Grubišić S, Jovanović LS, Rodić M, Novaković IT, Malešević A, Đorđević IS, Li H, Šojić N, Marinković A, Todorović T. Supplementary data for article:            Filipović, N. R.; Elshaflu, H.; Grubišić, S.; Jovanović, L. S.; Rodić, M.; Novaković, I.; Malešević, A.; Djordjević, I. S.; Li, H.; Šojić, N.; et al. Co(III) Complexes of (1,3-Selenazol-2-Yl)Hydrazones and Their Sulphur Analogues. Dalton Transactions 2017, 46 (9), 2910–2924. https://doi.org/10.1039/c6dt04785h. in Dalton Transactions. 2017;.
https://hdl.handle.net/21.15107/rcub_cherry_3095 .

Filipović, Nenad R., Elshaflu, Hana, Grubišić, Sonja, Jovanović, Ljiljana S., Rodić, Marko, Novaković, Irena T., Malešević, Aleksandar, Đorđević, Ivana S., Li, Haidong, Šojić, Nešo, Marinković, Aleksandar, Todorović, Tamara, "Supplementary data for article:            Filipović, N. R.; Elshaflu, H.; Grubišić, S.; Jovanović, L. S.; Rodić, M.; Novaković, I.; Malešević, A.; Djordjević, I. S.; Li, H.; Šojić, N.; et al. Co(III) Complexes of (1,3-Selenazol-2-Yl)Hydrazones and Their Sulphur Analogues. Dalton Transactions 2017, 46 (9), 2910–2924. https://doi.org/10.1039/c6dt04785h" in Dalton Transactions (2017),
https://hdl.handle.net/21.15107/rcub_cherry_3095 .

TY  - JOUR
AU  - Đorđević, Ivana S.
AU  - Vukašinović, Jelena
AU  - Todorović, Tamara
AU  - Filipović, Nenad R.
AU  - Rodić, Marko
AU  - Lolić, Aleksandar
AU  - Portalone, Gustavo
AU  - Zlatović, Mario
AU  - Grubišić, Sonja
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2520
AB  - Cobalt(III) complexes derived from thio-and selenosemicarbazone ligands have been studied to elucidate the nature and consequences of S to Se substitution on their possible biological activity. Solid state structures of cobalt(III) complexes with bis-tridentate coordinated 2-quinolinecarboxaldehyde thio-and selenosemicarbazone were determined by single crystal X-ray diffraction analysis. The complexes were also characterized by spectroscopic methods and cyclic voltammetry. Electronic properties of the complexes were studied using DFT and TD-DFT methods. Finally, evident in vitro antioxidant activity of the complexes was demonstrated.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: A combined experimental and theoretical study
VL  - 82
IS  - 7-8
SP  - 825
EP  - 839
DO  - 10.2298/JSC170412062D
ER  - 

@article{
author = "Đorđević, Ivana S. and Vukašinović, Jelena and Todorović, Tamara and Filipović, Nenad R. and Rodić, Marko and Lolić, Aleksandar and Portalone, Gustavo and Zlatović, Mario and Grubišić, Sonja",
year = "2017",
abstract = "Cobalt(III) complexes derived from thio-and selenosemicarbazone ligands have been studied to elucidate the nature and consequences of S to Se substitution on their possible biological activity. Solid state structures of cobalt(III) complexes with bis-tridentate coordinated 2-quinolinecarboxaldehyde thio-and selenosemicarbazone were determined by single crystal X-ray diffraction analysis. The complexes were also characterized by spectroscopic methods and cyclic voltammetry. Electronic properties of the complexes were studied using DFT and TD-DFT methods. Finally, evident in vitro antioxidant activity of the complexes was demonstrated.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: A combined experimental and theoretical study",
volume = "82",
number = "7-8",
pages = "825-839",
doi = "10.2298/JSC170412062D"
}

Đorđević, I. S., Vukašinović, J., Todorović, T., Filipović, N. R., Rodić, M., Lolić, A., Portalone, G., Zlatović, M.,& Grubišić, S.. (2017). Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: A combined experimental and theoretical study. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 82(7-8), 825-839.
https://doi.org/10.2298/JSC170412062D

Đorđević IS, Vukašinović J, Todorović T, Filipović NR, Rodić M, Lolić A, Portalone G, Zlatović M, Grubišić S. Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: A combined experimental and theoretical study. in Journal of the Serbian Chemical Society. 2017;82(7-8):825-839.
doi:10.2298/JSC170412062D .

Đorđević, Ivana S., Vukašinović, Jelena, Todorović, Tamara, Filipović, Nenad R., Rodić, Marko, Lolić, Aleksandar, Portalone, Gustavo, Zlatović, Mario, Grubišić, Sonja, "Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: A combined experimental and theoretical study" in Journal of the Serbian Chemical Society, 82, no. 7-8 (2017):825-839,
https://doi.org/10.2298/JSC170412062D . .

TY  - JOUR
AU  - Romanović, Mima
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Grubišić, Sonja
AU  - Radanović, Dušanka D.
AU  - Anđelković, Katarina K.
AU  - Milenković, Marina
AU  - Milenković, Milica R.
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3000
AB  - The chloro (1) and isocyanato (2) Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girard's T reagent) (HLCl) have been synthesized and characterized by elemental analysis, IR, and NMR spectroscopy. The crystal structure of chloro Cd(II) complex (1) was determined. In 1 and 2, coordination surrounding of Cd(II) consists of deprotonated hydrazone ligand coordinated through NNO-donor atoms and two monodentates at the rest of the coordination places. Quantum chemical calculations of the molecular structures and the relative stabilities of linkage isomers of the Cd(II) complex showed that the isomer with N-Cd-N coordination of OCN- is the most stable. The investigated Cd(II) complexes showed lower activity than standard antimicrobial drugs. [GRAPHICS] .
PB  - Taylor & Francis Ltd, Abingdon
T2  - Journal of Coordination Chemistry
T1  - Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent
VL  - 70
IS  - 21
SP  - 3702
EP  - 3714
DO  - 10.1080/00958972.2017.1405262
ER  - 

@article{
author = "Romanović, Mima and Čobeljić, Božidar and Pevec, Andrej and Turel, Iztok and Grubišić, Sonja and Radanović, Dušanka D. and Anđelković, Katarina K. and Milenković, Marina and Milenković, Milica R.",
year = "2017",
abstract = "The chloro (1) and isocyanato (2) Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girard's T reagent) (HLCl) have been synthesized and characterized by elemental analysis, IR, and NMR spectroscopy. The crystal structure of chloro Cd(II) complex (1) was determined. In 1 and 2, coordination surrounding of Cd(II) consists of deprotonated hydrazone ligand coordinated through NNO-donor atoms and two monodentates at the rest of the coordination places. Quantum chemical calculations of the molecular structures and the relative stabilities of linkage isomers of the Cd(II) complex showed that the isomer with N-Cd-N coordination of OCN- is the most stable. The investigated Cd(II) complexes showed lower activity than standard antimicrobial drugs. [GRAPHICS] .",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Journal of Coordination Chemistry",
title = "Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent",
volume = "70",
number = "21",
pages = "3702-3714",
doi = "10.1080/00958972.2017.1405262"
}

Romanović, M., Čobeljić, B., Pevec, A., Turel, I., Grubišić, S., Radanović, D. D., Anđelković, K. K., Milenković, M.,& Milenković, M. R.. (2017). Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Journal of Coordination Chemistry
Taylor & Francis Ltd, Abingdon., 70(21), 3702-3714.
https://doi.org/10.1080/00958972.2017.1405262

Romanović M, Čobeljić B, Pevec A, Turel I, Grubišić S, Radanović DD, Anđelković KK, Milenković M, Milenković MR. Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Journal of Coordination Chemistry. 2017;70(21):3702-3714.
doi:10.1080/00958972.2017.1405262 .

Romanović, Mima, Čobeljić, Božidar, Pevec, Andrej, Turel, Iztok, Grubišić, Sonja, Radanović, Dušanka D., Anđelković, Katarina K., Milenković, Marina, Milenković, Milica R., "Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent" in Journal of Coordination Chemistry, 70, no. 21 (2017):3702-3714,
https://doi.org/10.1080/00958972.2017.1405262 . .

TY  - JOUR
AU  - Romanović, Mima
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Grubišić, Sonja
AU  - Radanović, Dušanka D.
AU  - Anđelković, Katarina K.
AU  - Milenković, Marina
AU  - Milenković, Milica R.
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2575
AB  - The chloro (1) and isocyanato (2) Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girard's T reagent) (HLCl) have been synthesized and characterized by elemental analysis, IR, and NMR spectroscopy. The crystal structure of chloro Cd(II) complex (1) was determined. In 1 and 2, coordination surrounding of Cd(II) consists of deprotonated hydrazone ligand coordinated through NNO-donor atoms and two monodentates at the rest of the coordination places. Quantum chemical calculations of the molecular structures and the relative stabilities of linkage isomers of the Cd(II) complex showed that the isomer with N-Cd-N coordination of OCN- is the most stable. The investigated Cd(II) complexes showed lower activity than standard antimicrobial drugs. [GRAPHICS] .
PB  - Taylor & Francis Ltd, Abingdon
T2  - Journal of Coordination Chemistry
T1  - Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent
VL  - 70
IS  - 21
SP  - 3702
EP  - 3714
DO  - 10.1080/00958972.2017.1405262
ER  - 

@article{
author = "Romanović, Mima and Čobeljić, Božidar and Pevec, Andrej and Turel, Iztok and Grubišić, Sonja and Radanović, Dušanka D. and Anđelković, Katarina K. and Milenković, Marina and Milenković, Milica R.",
year = "2017",
abstract = "The chloro (1) and isocyanato (2) Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girard's T reagent) (HLCl) have been synthesized and characterized by elemental analysis, IR, and NMR spectroscopy. The crystal structure of chloro Cd(II) complex (1) was determined. In 1 and 2, coordination surrounding of Cd(II) consists of deprotonated hydrazone ligand coordinated through NNO-donor atoms and two monodentates at the rest of the coordination places. Quantum chemical calculations of the molecular structures and the relative stabilities of linkage isomers of the Cd(II) complex showed that the isomer with N-Cd-N coordination of OCN- is the most stable. The investigated Cd(II) complexes showed lower activity than standard antimicrobial drugs. [GRAPHICS] .",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Journal of Coordination Chemistry",
title = "Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent",
volume = "70",
number = "21",
pages = "3702-3714",
doi = "10.1080/00958972.2017.1405262"
}

Romanović, M., Čobeljić, B., Pevec, A., Turel, I., Grubišić, S., Radanović, D. D., Anđelković, K. K., Milenković, M.,& Milenković, M. R.. (2017). Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Journal of Coordination Chemistry
Taylor & Francis Ltd, Abingdon., 70(21), 3702-3714.
https://doi.org/10.1080/00958972.2017.1405262

Romanović M, Čobeljić B, Pevec A, Turel I, Grubišić S, Radanović DD, Anđelković KK, Milenković M, Milenković MR. Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Journal of Coordination Chemistry. 2017;70(21):3702-3714.
doi:10.1080/00958972.2017.1405262 .

Romanović, Mima, Čobeljić, Božidar, Pevec, Andrej, Turel, Iztok, Grubišić, Sonja, Radanović, Dušanka D., Anđelković, Katarina K., Milenković, Marina, Milenković, Milica R., "Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent" in Journal of Coordination Chemistry, 70, no. 21 (2017):3702-3714,
https://doi.org/10.1080/00958972.2017.1405262 . .

TY  - JOUR
AU  - Todorović, Tamara
AU  - Grubišić, Sonja
AU  - Pregelj, Matej
AU  - Jagodić, Marko
AU  - Misirlić-Denčić, Sonja
AU  - Dulović, Marija
AU  - Marković, Ivanka
AU  - Klisurić, Olivera
AU  - Malešević, Aleksandar
AU  - Mitić, Dragana
AU  - Anđelković, Katarina K.
AU  - Filipović, Nenad R.
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1753
AB  - Copper(II) complexes with the condensation derivative of methyl hydrazinoacetate and 2-acetylpyridine were synthesized. The X-ray crystal structures for both complexes revealed that they are polymerized isomers. A common feature of both complexes is the bidentate coordination of the ligand by one hydrazone and one pyridine nitrogen atom. In the monomeric complex, the copper(II) center is tetracoordinate, whereas dimerization through chlorido bridges results in a pentacoordinate arrangement about the metal ions in the dimer. The electronic and magnetic properties of both complexes are discussed on the basis of their X-ray structures, electron paramagnetic resonance (EPR) spectroscopy studies, and superconducting quantum interference device (SQUID) magnetization measurements combined with DFT calculations. Magnetostructural comparisons with structurally similar copper(II) complexes are also provided, and a possible correlation has been established. The antitumor activities of the Cu-II complexes were investigated against six different cancer cell lines, and the results suggest that the antiglioma action of the dimeric species is based on oxidative-stress-mediated phosphatidylserine externalization and caspase activation, which indicate apoptosis.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - European Journal of Inorganic Chemistry
T1  - Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear Cu-II Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands
IS  - 23
SP  - 3921
EP  - 3931
DO  - 10.1002/ejic.201500349
ER  - 

@article{
author = "Todorović, Tamara and Grubišić, Sonja and Pregelj, Matej and Jagodić, Marko and Misirlić-Denčić, Sonja and Dulović, Marija and Marković, Ivanka and Klisurić, Olivera and Malešević, Aleksandar and Mitić, Dragana and Anđelković, Katarina K. and Filipović, Nenad R.",
year = "2015",
abstract = "Copper(II) complexes with the condensation derivative of methyl hydrazinoacetate and 2-acetylpyridine were synthesized. The X-ray crystal structures for both complexes revealed that they are polymerized isomers. A common feature of both complexes is the bidentate coordination of the ligand by one hydrazone and one pyridine nitrogen atom. In the monomeric complex, the copper(II) center is tetracoordinate, whereas dimerization through chlorido bridges results in a pentacoordinate arrangement about the metal ions in the dimer. The electronic and magnetic properties of both complexes are discussed on the basis of their X-ray structures, electron paramagnetic resonance (EPR) spectroscopy studies, and superconducting quantum interference device (SQUID) magnetization measurements combined with DFT calculations. Magnetostructural comparisons with structurally similar copper(II) complexes are also provided, and a possible correlation has been established. The antitumor activities of the Cu-II complexes were investigated against six different cancer cell lines, and the results suggest that the antiglioma action of the dimeric species is based on oxidative-stress-mediated phosphatidylserine externalization and caspase activation, which indicate apoptosis.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "European Journal of Inorganic Chemistry",
title = "Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear Cu-II Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands",
number = "23",
pages = "3921-3931",
doi = "10.1002/ejic.201500349"
}

Todorović, T., Grubišić, S., Pregelj, M., Jagodić, M., Misirlić-Denčić, S., Dulović, M., Marković, I., Klisurić, O., Malešević, A., Mitić, D., Anđelković, K. K.,& Filipović, N. R.. (2015). Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear Cu-II Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. in European Journal of Inorganic Chemistry
Wiley-V C H Verlag Gmbh, Weinheim.(23), 3921-3931.
https://doi.org/10.1002/ejic.201500349

Todorović T, Grubišić S, Pregelj M, Jagodić M, Misirlić-Denčić S, Dulović M, Marković I, Klisurić O, Malešević A, Mitić D, Anđelković KK, Filipović NR. Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear Cu-II Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. in European Journal of Inorganic Chemistry. 2015;(23):3921-3931.
doi:10.1002/ejic.201500349 .

Todorović, Tamara, Grubišić, Sonja, Pregelj, Matej, Jagodić, Marko, Misirlić-Denčić, Sonja, Dulović, Marija, Marković, Ivanka, Klisurić, Olivera, Malešević, Aleksandar, Mitić, Dragana, Anđelković, Katarina K., Filipović, Nenad R., "Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear Cu-II Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands" in European Journal of Inorganic Chemistry, no. 23 (2015):3921-3931,
https://doi.org/10.1002/ejic.201500349 . .

TY  - DATA
AU  - Todorović, Tamara
AU  - Grubišić, Sonja
AU  - Pregelj, Matej
AU  - Jagodić, Marko
AU  - Misirlić-Denčić, Sonja
AU  - Dulović, Marija
AU  - Marković, Ivanka
AU  - Klisurić, Olivera
AU  - Malešević, Aleksandar
AU  - Mitić, Dragana
AU  - Anđelković, Katarina K.
AU  - Filipović, Nenad R.
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3431
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - European Journal of Inorganic Chemistry
T1  - Supplementary data for article: Todorovic, T.; Grubišic, S.; Pregelj, M.; Jagodič, M.; Misirlic-Denčic, S.; Dulovic, M.; Markovic, I.; Klisuric, O.; Maleševic, A.; Mitic, D.; et al. Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear CuII Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. European Journal of Inorganic Chemistry 2015, 2015 (23), 3921–3931. https://doi.org/10.1002/ejic.201500349
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3431
ER  - 

@misc{
author = "Todorović, Tamara and Grubišić, Sonja and Pregelj, Matej and Jagodić, Marko and Misirlić-Denčić, Sonja and Dulović, Marija and Marković, Ivanka and Klisurić, Olivera and Malešević, Aleksandar and Mitić, Dragana and Anđelković, Katarina K. and Filipović, Nenad R.",
year = "2015",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "European Journal of Inorganic Chemistry",
title = "Supplementary data for article: Todorovic, T.; Grubišic, S.; Pregelj, M.; Jagodič, M.; Misirlic-Denčic, S.; Dulovic, M.; Markovic, I.; Klisuric, O.; Maleševic, A.; Mitic, D.; et al. Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear CuII Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. European Journal of Inorganic Chemistry 2015, 2015 (23), 3921–3931. https://doi.org/10.1002/ejic.201500349",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3431"
}

Todorović, T., Grubišić, S., Pregelj, M., Jagodić, M., Misirlić-Denčić, S., Dulović, M., Marković, I., Klisurić, O., Malešević, A., Mitić, D., Anđelković, K. K.,& Filipović, N. R.. (2015). Supplementary data for article: Todorovic, T.; Grubišic, S.; Pregelj, M.; Jagodič, M.; Misirlic-Denčic, S.; Dulovic, M.; Markovic, I.; Klisuric, O.; Maleševic, A.; Mitic, D.; et al. Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear CuII Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. European Journal of Inorganic Chemistry 2015, 2015 (23), 3921–3931. https://doi.org/10.1002/ejic.201500349. in European Journal of Inorganic Chemistry
Wiley-V C H Verlag Gmbh, Weinheim..
https://hdl.handle.net/21.15107/rcub_cherry_3431

Todorović T, Grubišić S, Pregelj M, Jagodić M, Misirlić-Denčić S, Dulović M, Marković I, Klisurić O, Malešević A, Mitić D, Anđelković KK, Filipović NR. Supplementary data for article: Todorovic, T.; Grubišic, S.; Pregelj, M.; Jagodič, M.; Misirlic-Denčic, S.; Dulovic, M.; Markovic, I.; Klisuric, O.; Maleševic, A.; Mitic, D.; et al. Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear CuII Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. European Journal of Inorganic Chemistry 2015, 2015 (23), 3921–3931. https://doi.org/10.1002/ejic.201500349. in European Journal of Inorganic Chemistry. 2015;.
https://hdl.handle.net/21.15107/rcub_cherry_3431 .

Todorović, Tamara, Grubišić, Sonja, Pregelj, Matej, Jagodić, Marko, Misirlić-Denčić, Sonja, Dulović, Marija, Marković, Ivanka, Klisurić, Olivera, Malešević, Aleksandar, Mitić, Dragana, Anđelković, Katarina K., Filipović, Nenad R., "Supplementary data for article: Todorovic, T.; Grubišic, S.; Pregelj, M.; Jagodič, M.; Misirlic-Denčic, S.; Dulovic, M.; Markovic, I.; Klisuric, O.; Maleševic, A.; Mitic, D.; et al. Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear CuII Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. European Journal of Inorganic Chemistry 2015, 2015 (23), 3921–3931. https://doi.org/10.1002/ejic.201500349" in European Journal of Inorganic Chemistry (2015),
https://hdl.handle.net/21.15107/rcub_cherry_3431 .

TY  - JOUR
AU  - Đorđević, Ivana S.
AU  - Grubišić, Sonja
AU  - Milčić, Miloš K.
AU  - Niketić, Svetozar R.
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1693
AB  - An approach to model the trans-influence using partial atomic charges derived from the molecular electrostatic potential by means of the restrained electrostatic potential (RESP) fitting method is exemplified on a series of halogenido-ammine octahedral chromium(III) complexes. RESP charges incorporated in the present vibrationally optimized consistent force field account for second-order phenomena, improve the modeling and assignment of skeletal vibrations, and reproduce the trends in frequency shifts along the F, Cl, Br, I series. In addition, a supplementary statistical analysis is given for the Cr-halogen bonds in the crystal structures from the CSD.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Derivation of a new set of force field parameters for ammine complexes of chromium(III) containing halogenido ligands: modeling of the trans-influence of halogenido ligands
VL  - 80
IS  - 3
SP  - 329
EP  - 342
DO  - 10.2298/JSC030914105D
ER  - 

@article{
author = "Đorđević, Ivana S. and Grubišić, Sonja and Milčić, Miloš K. and Niketić, Svetozar R.",
year = "2015",
abstract = "An approach to model the trans-influence using partial atomic charges derived from the molecular electrostatic potential by means of the restrained electrostatic potential (RESP) fitting method is exemplified on a series of halogenido-ammine octahedral chromium(III) complexes. RESP charges incorporated in the present vibrationally optimized consistent force field account for second-order phenomena, improve the modeling and assignment of skeletal vibrations, and reproduce the trends in frequency shifts along the F, Cl, Br, I series. In addition, a supplementary statistical analysis is given for the Cr-halogen bonds in the crystal structures from the CSD.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Derivation of a new set of force field parameters for ammine complexes of chromium(III) containing halogenido ligands: modeling of the trans-influence of halogenido ligands",
volume = "80",
number = "3",
pages = "329-342",
doi = "10.2298/JSC030914105D"
}

Đorđević, I. S., Grubišić, S., Milčić, M. K.,& Niketić, S. R.. (2015). Derivation of a new set of force field parameters for ammine complexes of chromium(III) containing halogenido ligands: modeling of the trans-influence of halogenido ligands. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 80(3), 329-342.
https://doi.org/10.2298/JSC030914105D

Đorđević IS, Grubišić S, Milčić MK, Niketić SR. Derivation of a new set of force field parameters for ammine complexes of chromium(III) containing halogenido ligands: modeling of the trans-influence of halogenido ligands. in Journal of the Serbian Chemical Society. 2015;80(3):329-342.
doi:10.2298/JSC030914105D .

Đorđević, Ivana S., Grubišić, Sonja, Milčić, Miloš K., Niketić, Svetozar R., "Derivation of a new set of force field parameters for ammine complexes of chromium(III) containing halogenido ligands: modeling of the trans-influence of halogenido ligands" in Journal of the Serbian Chemical Society, 80, no. 3 (2015):329-342,
https://doi.org/10.2298/JSC030914105D . .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Grubišić, Sonja
AU  - Jovanović, Maja
AU  - Dulović, Marija
AU  - Marković, Ivanka
AU  - Klisurić, Olivera
AU  - Marinković, Aleksandar
AU  - Mitić, Dragana
AU  - Anđelković, Katarina K.
AU  - Todorović, Tamara
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1861
AB  - Novel Pd(II) complex with N-heteroaromatic Schiff base ligand, derived from 8-quinolinecarboxaldehyde (q8a) and ethyl hydrazinoacetate (haOEt), was synthesized and characterized by analytical and spectroscopy methods. The structure of novel complex, as well as structures of its quinoline and pyridine analogues, was optimized by density functional theory calculations, and theoretical data show good agreement with experimental results. A cytotoxic action of the complexes was evaluated on cultures of human promyelocytic leukemia (HL-60), human glioma (U251), rat glioma (C6), and mouse fibrosarcoma (L929) cell lines. Among investigated compounds, only complexes with quinoline-based ligands reduce the cell numbers in a dose-dependent manner in investigated cell lines. The observed cytotoxic effect of two isomeric quinoline-based complexes is predominantly mediated through the induction of apoptotic cell death in HL-60 cell line. The cytotoxicity of most efficient novel Pd(II) complex is comparable to the activity of cisplatin, in all cell lines investigated.
PB  - Wiley-Blackwell, Hoboken
T2  - Chemical Biology and Drug Design
T1  - Palladium(II) Complexes with N-Heteroaromatic Bidentate Hydrazone Ligands: The Effect of the Chelate Ring Size and Lipophilicity on in vitro Cytotoxic Activity
VL  - 84
IS  - 3
SP  - 333
EP  - 341
DO  - 10.1111/cbdd.12322
ER  - 

@article{
author = "Filipović, Nenad R. and Grubišić, Sonja and Jovanović, Maja and Dulović, Marija and Marković, Ivanka and Klisurić, Olivera and Marinković, Aleksandar and Mitić, Dragana and Anđelković, Katarina K. and Todorović, Tamara",
year = "2014",
abstract = "Novel Pd(II) complex with N-heteroaromatic Schiff base ligand, derived from 8-quinolinecarboxaldehyde (q8a) and ethyl hydrazinoacetate (haOEt), was synthesized and characterized by analytical and spectroscopy methods. The structure of novel complex, as well as structures of its quinoline and pyridine analogues, was optimized by density functional theory calculations, and theoretical data show good agreement with experimental results. A cytotoxic action of the complexes was evaluated on cultures of human promyelocytic leukemia (HL-60), human glioma (U251), rat glioma (C6), and mouse fibrosarcoma (L929) cell lines. Among investigated compounds, only complexes with quinoline-based ligands reduce the cell numbers in a dose-dependent manner in investigated cell lines. The observed cytotoxic effect of two isomeric quinoline-based complexes is predominantly mediated through the induction of apoptotic cell death in HL-60 cell line. The cytotoxicity of most efficient novel Pd(II) complex is comparable to the activity of cisplatin, in all cell lines investigated.",
publisher = "Wiley-Blackwell, Hoboken",
journal = "Chemical Biology and Drug Design",
title = "Palladium(II) Complexes with N-Heteroaromatic Bidentate Hydrazone Ligands: The Effect of the Chelate Ring Size and Lipophilicity on in vitro Cytotoxic Activity",
volume = "84",
number = "3",
pages = "333-341",
doi = "10.1111/cbdd.12322"
}

Filipović, N. R., Grubišić, S., Jovanović, M., Dulović, M., Marković, I., Klisurić, O., Marinković, A., Mitić, D., Anđelković, K. K.,& Todorović, T.. (2014). Palladium(II) Complexes with N-Heteroaromatic Bidentate Hydrazone Ligands: The Effect of the Chelate Ring Size and Lipophilicity on in vitro Cytotoxic Activity. in Chemical Biology and Drug Design
Wiley-Blackwell, Hoboken., 84(3), 333-341.
https://doi.org/10.1111/cbdd.12322

Filipović NR, Grubišić S, Jovanović M, Dulović M, Marković I, Klisurić O, Marinković A, Mitić D, Anđelković KK, Todorović T. Palladium(II) Complexes with N-Heteroaromatic Bidentate Hydrazone Ligands: The Effect of the Chelate Ring Size and Lipophilicity on in vitro Cytotoxic Activity. in Chemical Biology and Drug Design. 2014;84(3):333-341.
doi:10.1111/cbdd.12322 .

Filipović, Nenad R., Grubišić, Sonja, Jovanović, Maja, Dulović, Marija, Marković, Ivanka, Klisurić, Olivera, Marinković, Aleksandar, Mitić, Dragana, Anđelković, Katarina K., Todorović, Tamara, "Palladium(II) Complexes with N-Heteroaromatic Bidentate Hydrazone Ligands: The Effect of the Chelate Ring Size and Lipophilicity on in vitro Cytotoxic Activity" in Chemical Biology and Drug Design, 84, no. 3 (2014):333-341,
https://doi.org/10.1111/cbdd.12322 . .

TY  - JOUR
AU  - Anđelković, Ljubica
AU  - Perić, Marko
AU  - Zlatar, Matija
AU  - Grubišić, Sonja
AU  - Gruden-Pavlović, Maja
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1253
AB  - The aromatic/antiaromatic behavior of the Jahn-Teller UT) active benzene cation and anion has been investigated using Density Functional Theory (DFT) calculations of Nuclear Independent Chemical Shifts (NICS) and magnetic susceptibility. NICS parameters have been scanned along the Intrinsic Distortion Path (IDP) for the benzene cation showing antiaromaticity which decreases with increasing deviation from D-6h to D-2h symmetry. Changes in NICS values along the IDP from D-6h to C-2v in the benzene anion revealed non-aromatic character. (C) 2011 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron Letters
T1  - Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?
VL  - 53
IS  - 7
SP  - 794
EP  - 799
DO  - 10.1016/j.tetlet.2011.12.008
ER  - 

@article{
author = "Anđelković, Ljubica and Perić, Marko and Zlatar, Matija and Grubišić, Sonja and Gruden-Pavlović, Maja",
year = "2012",
abstract = "The aromatic/antiaromatic behavior of the Jahn-Teller UT) active benzene cation and anion has been investigated using Density Functional Theory (DFT) calculations of Nuclear Independent Chemical Shifts (NICS) and magnetic susceptibility. NICS parameters have been scanned along the Intrinsic Distortion Path (IDP) for the benzene cation showing antiaromaticity which decreases with increasing deviation from D-6h to D-2h symmetry. Changes in NICS values along the IDP from D-6h to C-2v in the benzene anion revealed non-aromatic character. (C) 2011 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron Letters",
title = "Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?",
volume = "53",
number = "7",
pages = "794-799",
doi = "10.1016/j.tetlet.2011.12.008"
}

Anđelković, L., Perić, M., Zlatar, M., Grubišić, S.,& Gruden-Pavlović, M.. (2012). Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?. in Tetrahedron Letters
Pergamon-Elsevier Science Ltd, Oxford., 53(7), 794-799.
https://doi.org/10.1016/j.tetlet.2011.12.008

Anđelković L, Perić M, Zlatar M, Grubišić S, Gruden-Pavlović M. Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?. in Tetrahedron Letters. 2012;53(7):794-799.
doi:10.1016/j.tetlet.2011.12.008 .

Anđelković, Ljubica, Perić, Marko, Zlatar, Matija, Grubišić, Sonja, Gruden-Pavlović, Maja, "Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?" in Tetrahedron Letters, 53, no. 7 (2012):794-799,
https://doi.org/10.1016/j.tetlet.2011.12.008 . .

TY  - JOUR
AU  - Perić, Marko
AU  - Zlatar, Matija
AU  - Grubišić, Sonja
AU  - Gruden-Pavlović, Maja
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1322
AB  - Density functional theory (DFT), broken symmetry (BS) approach, was applied in order to determine the mechanism of couplings through the non-covalent interactions for the series of coordination compounds bridged by strong hydrogen bonds, namely [Mn(F)(4)HF2](2-), [Ni(HF2)(pyz)(2)](-), [Cu(HF2)(pyz)(2)](-), [Cu2F(HF)(HF2)(pyz)(4)](2-), [CuF2(H2O)(2)(pyz)] (where pyz = pyrazine), [Cu-2(php)(2)(H2O)(2)](2+) (php = 6-(pyridine-2-ylhydrazonomethyl)phenol), [Cu(L-1)(H2O)](+) (HL1 = 1-(2-hydroxyethylaminomethyl)-3-hydroxyethyl-1,3-diazacyclohexane), multi copper active centers from Escherichia coli multi-copper oxidase and peptidylglycine alpha-hydroxylating monooxygenase, and [CuBr4](2-). In most investigated structures, main function of hydrogen bonds is to achieve reasonable distances between the interacting units, which are necessary for the favorable superexchange interactions. Antiferromagnetic couplings in Cu(II) complexes decrease with increasing distance between two monomer units. This work can help in rational design of new materials with this kind of bridging ligands. (c) 2012 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Magnetic couplings mediated through the non-covalent interactions
VL  - 42
IS  - 1
SP  - 89
EP  - 94
DO  - 10.1016/j.poly.2012.04.040
ER  - 

@article{
author = "Perić, Marko and Zlatar, Matija and Grubišić, Sonja and Gruden-Pavlović, Maja",
year = "2012",
abstract = "Density functional theory (DFT), broken symmetry (BS) approach, was applied in order to determine the mechanism of couplings through the non-covalent interactions for the series of coordination compounds bridged by strong hydrogen bonds, namely [Mn(F)(4)HF2](2-), [Ni(HF2)(pyz)(2)](-), [Cu(HF2)(pyz)(2)](-), [Cu2F(HF)(HF2)(pyz)(4)](2-), [CuF2(H2O)(2)(pyz)] (where pyz = pyrazine), [Cu-2(php)(2)(H2O)(2)](2+) (php = 6-(pyridine-2-ylhydrazonomethyl)phenol), [Cu(L-1)(H2O)](+) (HL1 = 1-(2-hydroxyethylaminomethyl)-3-hydroxyethyl-1,3-diazacyclohexane), multi copper active centers from Escherichia coli multi-copper oxidase and peptidylglycine alpha-hydroxylating monooxygenase, and [CuBr4](2-). In most investigated structures, main function of hydrogen bonds is to achieve reasonable distances between the interacting units, which are necessary for the favorable superexchange interactions. Antiferromagnetic couplings in Cu(II) complexes decrease with increasing distance between two monomer units. This work can help in rational design of new materials with this kind of bridging ligands. (c) 2012 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Magnetic couplings mediated through the non-covalent interactions",
volume = "42",
number = "1",
pages = "89-94",
doi = "10.1016/j.poly.2012.04.040"
}

Perić, M., Zlatar, M., Grubišić, S.,& Gruden-Pavlović, M.. (2012). Magnetic couplings mediated through the non-covalent interactions. in Polyhedron
Pergamon-Elsevier Science Ltd, Oxford., 42(1), 89-94.
https://doi.org/10.1016/j.poly.2012.04.040

Perić M, Zlatar M, Grubišić S, Gruden-Pavlović M. Magnetic couplings mediated through the non-covalent interactions. in Polyhedron. 2012;42(1):89-94.
doi:10.1016/j.poly.2012.04.040 .

Perić, Marko, Zlatar, Matija, Grubišić, Sonja, Gruden-Pavlović, Maja, "Magnetic couplings mediated through the non-covalent interactions" in Polyhedron, 42, no. 1 (2012):89-94,
https://doi.org/10.1016/j.poly.2012.04.040 . .

TY  - JOUR
AU  - Perić, Marko
AU  - Zlatar, Matija
AU  - Gruden-Pavlović, Maja
AU  - Grubišić, Sonja
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1262
AB  - Magnetic couplings in oxalate-bridged binuclear complexes, namely five isomers of [(VO)(2)(ox)(SCN)(6)](4-), trans-(equatorial, equatorial), cis-(equatorial, equatorial), trans-(axial, axial), cis-(axial, axial), and (axial, equatorial), as well as [Cr-2(ox)(SCN)(8)](4-), [Fe-2(ox)(SCN)(8)](4-), [CrFe(ox)(SCN)(8)](4-), [Fe-2(ox)(5)](4-), [Cr-2(ox)(5)](4-), [Ni-2(ox)(5)](6-), and [Cu-2(ox)(C12H8N2)(2)](2+), were calculated with the broken symmetry approach. Predominant antiferromagnetic coupling is found in almost all investigated complexes, except in [CrFe(ox)(SCN)(8)](4-). The best agreement with experimental values for the exchange coupling constants were obtained at the B3LYP level of theory, whereas the non-hybrid functionals gave the best trend for the investigated vanadium complexes. The linear relationship between coupling constant and (epsilon (2) - epsilon (1))(2) as well as linear dependence of J and the square of overlap integral of magnetic orbitals was estimated.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes
VL  - 143
IS  - 4
SP  - 569
EP  - 577
DO  - 10.1007/s00706-011-0705-1
ER  - 

@article{
author = "Perić, Marko and Zlatar, Matija and Gruden-Pavlović, Maja and Grubišić, Sonja",
year = "2012",
abstract = "Magnetic couplings in oxalate-bridged binuclear complexes, namely five isomers of [(VO)(2)(ox)(SCN)(6)](4-), trans-(equatorial, equatorial), cis-(equatorial, equatorial), trans-(axial, axial), cis-(axial, axial), and (axial, equatorial), as well as [Cr-2(ox)(SCN)(8)](4-), [Fe-2(ox)(SCN)(8)](4-), [CrFe(ox)(SCN)(8)](4-), [Fe-2(ox)(5)](4-), [Cr-2(ox)(5)](4-), [Ni-2(ox)(5)](6-), and [Cu-2(ox)(C12H8N2)(2)](2+), were calculated with the broken symmetry approach. Predominant antiferromagnetic coupling is found in almost all investigated complexes, except in [CrFe(ox)(SCN)(8)](4-). The best agreement with experimental values for the exchange coupling constants were obtained at the B3LYP level of theory, whereas the non-hybrid functionals gave the best trend for the investigated vanadium complexes. The linear relationship between coupling constant and (epsilon (2) - epsilon (1))(2) as well as linear dependence of J and the square of overlap integral of magnetic orbitals was estimated.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes",
volume = "143",
number = "4",
pages = "569-577",
doi = "10.1007/s00706-011-0705-1"
}

Perić, M., Zlatar, M., Gruden-Pavlović, M.,& Grubišić, S.. (2012). Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes. in Monatshefte Fur Chemie
Springer Wien, Wien., 143(4), 569-577.
https://doi.org/10.1007/s00706-011-0705-1

Perić M, Zlatar M, Gruden-Pavlović M, Grubišić S. Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes. in Monatshefte Fur Chemie. 2012;143(4):569-577.
doi:10.1007/s00706-011-0705-1 .

Perić, Marko, Zlatar, Matija, Gruden-Pavlović, Maja, Grubišić, Sonja, "Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes" in Monatshefte Fur Chemie, 143, no. 4 (2012):569-577,
https://doi.org/10.1007/s00706-011-0705-1 . .

TY  - DATA
AU  - Perić, Marko
AU  - Niketić, Svetozar R.
AU  - Zlatar, Matija
AU  - Gruden-Pavlović, Maja
AU  - Grubišić, Sonja
PY  - 2011
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3609
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Supplementary data for article: Perić, M.; Niketic, S.; Zlatar, M.; Gruden-Pavlović, M.; Grubišić, S. DFT and MM Description of the Structure and Magnetic Properties of Manganese Complexes with X-Phenylcyanamido Bridging Ligand. Monatshefte Fur Chemie 2011, 142 (6), 585–592. https://doi.org/10.1007/s00706-011-0502-x
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3609
ER  - 

@misc{
author = "Perić, Marko and Niketić, Svetozar R. and Zlatar, Matija and Gruden-Pavlović, Maja and Grubišić, Sonja",
year = "2011",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Supplementary data for article: Perić, M.; Niketic, S.; Zlatar, M.; Gruden-Pavlović, M.; Grubišić, S. DFT and MM Description of the Structure and Magnetic Properties of Manganese Complexes with X-Phenylcyanamido Bridging Ligand. Monatshefte Fur Chemie 2011, 142 (6), 585–592. https://doi.org/10.1007/s00706-011-0502-x",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3609"
}

Perić, M., Niketić, S. R., Zlatar, M., Gruden-Pavlović, M.,& Grubišić, S.. (2011). Supplementary data for article: Perić, M.; Niketic, S.; Zlatar, M.; Gruden-Pavlović, M.; Grubišić, S. DFT and MM Description of the Structure and Magnetic Properties of Manganese Complexes with X-Phenylcyanamido Bridging Ligand. Monatshefte Fur Chemie 2011, 142 (6), 585–592. https://doi.org/10.1007/s00706-011-0502-x. in Monatshefte Fur Chemie
Springer Wien, Wien..
https://hdl.handle.net/21.15107/rcub_cherry_3609

Perić M, Niketić SR, Zlatar M, Gruden-Pavlović M, Grubišić S. Supplementary data for article: Perić, M.; Niketic, S.; Zlatar, M.; Gruden-Pavlović, M.; Grubišić, S. DFT and MM Description of the Structure and Magnetic Properties of Manganese Complexes with X-Phenylcyanamido Bridging Ligand. Monatshefte Fur Chemie 2011, 142 (6), 585–592. https://doi.org/10.1007/s00706-011-0502-x. in Monatshefte Fur Chemie. 2011;.
https://hdl.handle.net/21.15107/rcub_cherry_3609 .

Perić, Marko, Niketić, Svetozar R., Zlatar, Matija, Gruden-Pavlović, Maja, Grubišić, Sonja, "Supplementary data for article: Perić, M.; Niketic, S.; Zlatar, M.; Gruden-Pavlović, M.; Grubišić, S. DFT and MM Description of the Structure and Magnetic Properties of Manganese Complexes with X-Phenylcyanamido Bridging Ligand. Monatshefte Fur Chemie 2011, 142 (6), 585–592. https://doi.org/10.1007/s00706-011-0502-x" in Monatshefte Fur Chemie (2011),
https://hdl.handle.net/21.15107/rcub_cherry_3609 .

TY  - JOUR
AU  - Perić, Marko
AU  - Niketić, Svetozar R.
AU  - Zlatar, Matija
AU  - Gruden-Pavlović, Maja
AU  - Grubišić, Sonja
PY  - 2011
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1340
AB  - Magnetic properties of the complexes [Mn(3-Clpcyd)(H(2)O)-(phen)(2)](+), [{Mn(3-Fpcyd)(MeOH)(phen)}(2)(mu-3-Fpcyd)(2)], [{Mn(3-Fpcyd)(EtOH)(phen)}(2)(mu-3-Fpcyd)(2)], [{Mn(3-Clpcyd)(MeOH)(phen)}(2)(mu-3-Clpcyd)(2)], and [{Mn(4-Clpcyd)(EtOH)(phen)}(2)(mu-4-Clpcyd)(2)] (where Xpcyd = halogeno-phenylcyanamido; phen = 1,10-phenanthroline) have been explored by means of density functional theory (DFT). Exchange coupling constants were calculated from the energy differences between the high-spin and broken-symmetry states. Very good agreement between theoretical and experimental data was achieved. The g-tensor calculations were performed employing the coupled perturbed Kohn-Sham equations. Molecular mechanics calculations have been performed to elucidate structural features in the five complexes. Finally, the reliability of the molecular mechanics results was confirmed by comparing the magnetic couplings calculated on optimized structures with experimental data.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand
VL  - 142
IS  - 6
SP  - 585
EP  - 592
DO  - 10.1007/s00706-011-0502-x
ER  - 

@article{
author = "Perić, Marko and Niketić, Svetozar R. and Zlatar, Matija and Gruden-Pavlović, Maja and Grubišić, Sonja",
year = "2011",
abstract = "Magnetic properties of the complexes [Mn(3-Clpcyd)(H(2)O)-(phen)(2)](+), [{Mn(3-Fpcyd)(MeOH)(phen)}(2)(mu-3-Fpcyd)(2)], [{Mn(3-Fpcyd)(EtOH)(phen)}(2)(mu-3-Fpcyd)(2)], [{Mn(3-Clpcyd)(MeOH)(phen)}(2)(mu-3-Clpcyd)(2)], and [{Mn(4-Clpcyd)(EtOH)(phen)}(2)(mu-4-Clpcyd)(2)] (where Xpcyd = halogeno-phenylcyanamido; phen = 1,10-phenanthroline) have been explored by means of density functional theory (DFT). Exchange coupling constants were calculated from the energy differences between the high-spin and broken-symmetry states. Very good agreement between theoretical and experimental data was achieved. The g-tensor calculations were performed employing the coupled perturbed Kohn-Sham equations. Molecular mechanics calculations have been performed to elucidate structural features in the five complexes. Finally, the reliability of the molecular mechanics results was confirmed by comparing the magnetic couplings calculated on optimized structures with experimental data.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand",
volume = "142",
number = "6",
pages = "585-592",
doi = "10.1007/s00706-011-0502-x"
}

Perić, M., Niketić, S. R., Zlatar, M., Gruden-Pavlović, M.,& Grubišić, S.. (2011). DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand. in Monatshefte Fur Chemie
Springer Wien, Wien., 142(6), 585-592.
https://doi.org/10.1007/s00706-011-0502-x

Perić M, Niketić SR, Zlatar M, Gruden-Pavlović M, Grubišić S. DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand. in Monatshefte Fur Chemie. 2011;142(6):585-592.
doi:10.1007/s00706-011-0502-x .

Perić, Marko, Niketić, Svetozar R., Zlatar, Matija, Gruden-Pavlović, Maja, Grubišić, Sonja, "DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand" in Monatshefte Fur Chemie, 142, no. 6 (2011):585-592,
https://doi.org/10.1007/s00706-011-0502-x . .