TY  - JOUR
AU  - Anđelković, Ljubica
AU  - Jeremić, Dejan
AU  - Milenković, Milica R.
AU  - Radosavljević, Jelena
AU  - Vulić, Predrag
AU  - Pavlović, Vladimir B.
AU  - Manojlović, Dragan
AU  - Nikolić, Aleksandar S.
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3145
AB  - A simple organic-phase synthesis process was used to produce bare NiFe2O4 and ZnFe2O4 and core-shell ZnFe2O4@NiFe2O4 ferrite nanoparticles. X-ray powder diffractograms for all investigated powders show characteristic peaks of a spinel cubic structure without a secondary phase. Transmission electron microscopy (TEM) indicated the presence of nanoparticles that are smaller than 20 nm. The release of divalent ions (Ni2+ and Zn2+) from synthesized nanoparticles that were dispersed in saline solution, phosphate-buffered saline (PBS) and human serum, as determined by the inductively coupled plasma mass spectrometry (ICP-MS) method, was lower than 2 wt %. These results demonstrate the stability of the investigated nanoparticles in biologically relevant media and exclude the toxicity of Ni2+ and Zn2+ due to metal ion release, thereby opening a broad range of (bio)medical applications.
PB  - Elsevier
T2  - Ceramics International
T1  - Synthesis, characterization and in vitro evaluation of divalent ion release from stable NiFe2O4, ZnFe2O4 and core-shell ZnFe2O4@NiFe2O4 nanoparticles
VL  - 46
IS  - 3
SP  - 3528
EP  - 3533
DO  - 10.1016/j.ceramint.2019.10.068
ER  - 

@article{
author = "Anđelković, Ljubica and Jeremić, Dejan and Milenković, Milica R. and Radosavljević, Jelena and Vulić, Predrag and Pavlović, Vladimir B. and Manojlović, Dragan and Nikolić, Aleksandar S.",
year = "2020",
abstract = "A simple organic-phase synthesis process was used to produce bare NiFe2O4 and ZnFe2O4 and core-shell ZnFe2O4@NiFe2O4 ferrite nanoparticles. X-ray powder diffractograms for all investigated powders show characteristic peaks of a spinel cubic structure without a secondary phase. Transmission electron microscopy (TEM) indicated the presence of nanoparticles that are smaller than 20 nm. The release of divalent ions (Ni2+ and Zn2+) from synthesized nanoparticles that were dispersed in saline solution, phosphate-buffered saline (PBS) and human serum, as determined by the inductively coupled plasma mass spectrometry (ICP-MS) method, was lower than 2 wt %. These results demonstrate the stability of the investigated nanoparticles in biologically relevant media and exclude the toxicity of Ni2+ and Zn2+ due to metal ion release, thereby opening a broad range of (bio)medical applications.",
publisher = "Elsevier",
journal = "Ceramics International",
title = "Synthesis, characterization and in vitro evaluation of divalent ion release from stable NiFe2O4, ZnFe2O4 and core-shell ZnFe2O4@NiFe2O4 nanoparticles",
volume = "46",
number = "3",
pages = "3528-3533",
doi = "10.1016/j.ceramint.2019.10.068"
}

Anđelković, L., Jeremić, D., Milenković, M. R., Radosavljević, J., Vulić, P., Pavlović, V. B., Manojlović, D.,& Nikolić, A. S.. (2020). Synthesis, characterization and in vitro evaluation of divalent ion release from stable NiFe2O4, ZnFe2O4 and core-shell ZnFe2O4@NiFe2O4 nanoparticles. in Ceramics International
Elsevier., 46(3), 3528-3533.
https://doi.org/10.1016/j.ceramint.2019.10.068

Anđelković L, Jeremić D, Milenković MR, Radosavljević J, Vulić P, Pavlović VB, Manojlović D, Nikolić AS. Synthesis, characterization and in vitro evaluation of divalent ion release from stable NiFe2O4, ZnFe2O4 and core-shell ZnFe2O4@NiFe2O4 nanoparticles. in Ceramics International. 2020;46(3):3528-3533.
doi:10.1016/j.ceramint.2019.10.068 .

Anđelković, Ljubica, Jeremić, Dejan, Milenković, Milica R., Radosavljević, Jelena, Vulić, Predrag, Pavlović, Vladimir B., Manojlović, Dragan, Nikolić, Aleksandar S., "Synthesis, characterization and in vitro evaluation of divalent ion release from stable NiFe2O4, ZnFe2O4 and core-shell ZnFe2O4@NiFe2O4 nanoparticles" in Ceramics International, 46, no. 3 (2020):3528-3533,
https://doi.org/10.1016/j.ceramint.2019.10.068 . .

TY  - JOUR
AU  - Porobić, Slavica
AU  - Božić, Bojan
AU  - Dramićanin, Miroslav
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Marinović-Cincović, Milena
AU  - Mijin, Dušan
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3417
AB  - A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT–IR, 1H and 13C NMR, UV–Vis, and PL spectroscopy. Photophysical properties of the dyes were examined in solvents of various polarities and at different pH values. The solvent effects on the absorbance and emission spectral shift were analyzed using Lippert–Mataga, Reichardt–Dimroth and Kamlet-Taft equations. Moreover, UV–Vis absorption and emission frequencies were correlated with Hammett substituent constants applying the linear free energy relationships. DFT calculations of the investigated dyes were accomplished to determine their structural and electronic properties.
PB  - Elsevier
T2  - Dyes and Pigments
T1  - Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects
VL  - 175
SP  - 108139
DO  - 10.1016/j.dyepig.2019.108139
ER  - 

@article{
author = "Porobić, Slavica and Božić, Bojan and Dramićanin, Miroslav and Vitnik, Vesna and Vitnik, Željko and Marinović-Cincović, Milena and Mijin, Dušan",
year = "2020",
abstract = "A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT–IR, 1H and 13C NMR, UV–Vis, and PL spectroscopy. Photophysical properties of the dyes were examined in solvents of various polarities and at different pH values. The solvent effects on the absorbance and emission spectral shift were analyzed using Lippert–Mataga, Reichardt–Dimroth and Kamlet-Taft equations. Moreover, UV–Vis absorption and emission frequencies were correlated with Hammett substituent constants applying the linear free energy relationships. DFT calculations of the investigated dyes were accomplished to determine their structural and electronic properties.",
publisher = "Elsevier",
journal = "Dyes and Pigments",
title = "Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects",
volume = "175",
pages = "108139",
doi = "10.1016/j.dyepig.2019.108139"
}

Porobić, S., Božić, B., Dramićanin, M., Vitnik, V., Vitnik, Ž., Marinović-Cincović, M.,& Mijin, D.. (2020). Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects. in Dyes and Pigments
Elsevier., 175, 108139.
https://doi.org/10.1016/j.dyepig.2019.108139

Porobić S, Božić B, Dramićanin M, Vitnik V, Vitnik Ž, Marinović-Cincović M, Mijin D. Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects. in Dyes and Pigments. 2020;175:108139.
doi:10.1016/j.dyepig.2019.108139 .

Porobić, Slavica, Božić, Bojan, Dramićanin, Miroslav, Vitnik, Vesna, Vitnik, Željko, Marinović-Cincović, Milena, Mijin, Dušan, "Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects" in Dyes and Pigments, 175 (2020):108139,
https://doi.org/10.1016/j.dyepig.2019.108139 . .

TY  - JOUR
AU  - Porobić, Slavica
AU  - Božić, Bojan
AU  - Dramićanin, Miroslav
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Marinović-Cincović, Milena
AU  - Mijin, Dušan
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3418
AB  - A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT–IR, 1H and 13C NMR, UV–Vis, and PL spectroscopy. Photophysical properties of the dyes were examined in solvents of various polarities and at different pH values. The solvent effects on the absorbance and emission spectral shift were analyzed using Lippert–Mataga, Reichardt–Dimroth and Kamlet-Taft equations. Moreover, UV–Vis absorption and emission frequencies were correlated with Hammett substituent constants applying the linear free energy relationships. DFT calculations of the investigated dyes were accomplished to determine their structural and electronic properties.
PB  - Elsevier
T2  - Dyes and Pigments
T1  - Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects
VL  - 175
SP  - 108139
DO  - 10.1016/j.dyepig.2019.108139
ER  - 

@article{
author = "Porobić, Slavica and Božić, Bojan and Dramićanin, Miroslav and Vitnik, Vesna and Vitnik, Željko and Marinović-Cincović, Milena and Mijin, Dušan",
year = "2020",
abstract = "A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT–IR, 1H and 13C NMR, UV–Vis, and PL spectroscopy. Photophysical properties of the dyes were examined in solvents of various polarities and at different pH values. The solvent effects on the absorbance and emission spectral shift were analyzed using Lippert–Mataga, Reichardt–Dimroth and Kamlet-Taft equations. Moreover, UV–Vis absorption and emission frequencies were correlated with Hammett substituent constants applying the linear free energy relationships. DFT calculations of the investigated dyes were accomplished to determine their structural and electronic properties.",
publisher = "Elsevier",
journal = "Dyes and Pigments",
title = "Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects",
volume = "175",
pages = "108139",
doi = "10.1016/j.dyepig.2019.108139"
}

Porobić, S., Božić, B., Dramićanin, M., Vitnik, V., Vitnik, Ž., Marinović-Cincović, M.,& Mijin, D.. (2020). Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects. in Dyes and Pigments
Elsevier., 175, 108139.
https://doi.org/10.1016/j.dyepig.2019.108139

Porobić S, Božić B, Dramićanin M, Vitnik V, Vitnik Ž, Marinović-Cincović M, Mijin D. Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects. in Dyes and Pigments. 2020;175:108139.
doi:10.1016/j.dyepig.2019.108139 .

Porobić, Slavica, Božić, Bojan, Dramićanin, Miroslav, Vitnik, Vesna, Vitnik, Željko, Marinović-Cincović, Milena, Mijin, Dušan, "Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects" in Dyes and Pigments, 175 (2020):108139,
https://doi.org/10.1016/j.dyepig.2019.108139 . .

TY  - JOUR
AU  - Savić, Aleksandar
AU  - Gligorijević, Nevenka
AU  - Aranđelović, Sandra
AU  - Dojčinović, Biljana
AU  - Kaczmarek, Anna M.
AU  - Radulović, Siniša
AU  - Van Deun, Rik
AU  - Van Hecke, Kristof
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3352
AB  - The monocationic chloro complexes containing chelating N∩N ligands: [(η6-p-cymene)Ru(L1–4)Cl]+ (1–4), where L1 = 4-methyl-1,10-phenantroline, L2 = dipyrido[3,2-a:2′,3′-c]phenazine, L3 = 11-chloro-dipyrido[3,2-a:2′,3′-c]phenazine, L4 = 11-nitro-dipyrido[3,2-a:2′,3′-c]phenazine; p-cymene = 1-methyl-4-isopropylbenzene) have been prepared and characterized as the hexafluorophosphate salts. The biological activity of 1–4 has been investigated in selected 2D monolayer cell cultures (A549, PANC-1, MDA-MB-231, MRC-5). All investigated ruthenium complexes showed similar or even better cytotoxicity to cisplatin. However, there was no significant reduction in growth of PANC-1 cells in a 3D cell culture of multicellular tumor spheroids (MCTS) after treatment with 2–4, while the cisplatin treatment induced retardation in MCTS growth. Flow cytometry analysis of the cell cycle of PANC-1 cells shows that 3 caused changes of cell cycle phase distribution characterized by slight accumulation of cells in the G2-M phase. Absence of the Sub-G1 phase in the cell cycle of the treated cells indicated that there was no fragmentation of DNA for the analyzed time intervals (48 and 72 h treatment). Fluorescent microscopy, after acridine orange/ethidium bromide staining, revealed that the investigated ruthenium complexes induced some characteristics of apoptotic morphology (shrinking and condensation of chromatin) with notably preserved integrity of the plasma membrane. Investigation of cellular uptake and DNA - fraction accumulation performed by inductively coupled plasma mass spectrometry in PANC-1 cells with equimolar concentrations (5 μM) of 2–4 and cisplatin showed more efficient cellular uptake and DNA - fraction accumulation of complex 3 compared to complexes 2 and 4.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Antitumor activity of organoruthenium complexes with chelate aromatic ligands, derived from 1,10-phenantroline: Synthesis and biological activity
VL  - 202
SP  - 110869
SP  - 110869
DO  - 10.1016/j.jinorgbio.2019.110869
ER  - 

@article{
author = "Savić, Aleksandar and Gligorijević, Nevenka and Aranđelović, Sandra and Dojčinović, Biljana and Kaczmarek, Anna M. and Radulović, Siniša and Van Deun, Rik and Van Hecke, Kristof",
year = "2020",
abstract = "The monocationic chloro complexes containing chelating N∩N ligands: [(η6-p-cymene)Ru(L1–4)Cl]+ (1–4), where L1 = 4-methyl-1,10-phenantroline, L2 = dipyrido[3,2-a:2′,3′-c]phenazine, L3 = 11-chloro-dipyrido[3,2-a:2′,3′-c]phenazine, L4 = 11-nitro-dipyrido[3,2-a:2′,3′-c]phenazine; p-cymene = 1-methyl-4-isopropylbenzene) have been prepared and characterized as the hexafluorophosphate salts. The biological activity of 1–4 has been investigated in selected 2D monolayer cell cultures (A549, PANC-1, MDA-MB-231, MRC-5). All investigated ruthenium complexes showed similar or even better cytotoxicity to cisplatin. However, there was no significant reduction in growth of PANC-1 cells in a 3D cell culture of multicellular tumor spheroids (MCTS) after treatment with 2–4, while the cisplatin treatment induced retardation in MCTS growth. Flow cytometry analysis of the cell cycle of PANC-1 cells shows that 3 caused changes of cell cycle phase distribution characterized by slight accumulation of cells in the G2-M phase. Absence of the Sub-G1 phase in the cell cycle of the treated cells indicated that there was no fragmentation of DNA for the analyzed time intervals (48 and 72 h treatment). Fluorescent microscopy, after acridine orange/ethidium bromide staining, revealed that the investigated ruthenium complexes induced some characteristics of apoptotic morphology (shrinking and condensation of chromatin) with notably preserved integrity of the plasma membrane. Investigation of cellular uptake and DNA - fraction accumulation performed by inductively coupled plasma mass spectrometry in PANC-1 cells with equimolar concentrations (5 μM) of 2–4 and cisplatin showed more efficient cellular uptake and DNA - fraction accumulation of complex 3 compared to complexes 2 and 4.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Antitumor activity of organoruthenium complexes with chelate aromatic ligands, derived from 1,10-phenantroline: Synthesis and biological activity",
volume = "202",
pages = "110869-110869",
doi = "10.1016/j.jinorgbio.2019.110869"
}

Savić, A., Gligorijević, N., Aranđelović, S., Dojčinović, B., Kaczmarek, A. M., Radulović, S., Van Deun, R.,& Van Hecke, K.. (2020). Antitumor activity of organoruthenium complexes with chelate aromatic ligands, derived from 1,10-phenantroline: Synthesis and biological activity. in Journal of Inorganic Biochemistry
Elsevier., 202, 110869.
https://doi.org/10.1016/j.jinorgbio.2019.110869

Savić A, Gligorijević N, Aranđelović S, Dojčinović B, Kaczmarek AM, Radulović S, Van Deun R, Van Hecke K. Antitumor activity of organoruthenium complexes with chelate aromatic ligands, derived from 1,10-phenantroline: Synthesis and biological activity. in Journal of Inorganic Biochemistry. 2020;202:110869.
doi:10.1016/j.jinorgbio.2019.110869 .

Savić, Aleksandar, Gligorijević, Nevenka, Aranđelović, Sandra, Dojčinović, Biljana, Kaczmarek, Anna M., Radulović, Siniša, Van Deun, Rik, Van Hecke, Kristof, "Antitumor activity of organoruthenium complexes with chelate aromatic ligands, derived from 1,10-phenantroline: Synthesis and biological activity" in Journal of Inorganic Biochemistry, 202 (2020):110869,
https://doi.org/10.1016/j.jinorgbio.2019.110869 . .

TY  - JOUR
AU  - Franich, Andjela
AU  - Živković, Marija D.
AU  - Ilić-Tomić, Tatjana
AU  - Đorđević, Ivana
AU  - Nikodinović-Runić, Jasmina
AU  - Pavić, Aleksandar
AU  - Janjić, Goran
AU  - Rajković, Snežana
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3883
AB  - New anticancer platinum(II) compounds simultaneously targeting tumor cells and tumor-derived neoangiogenesis, with new DNA interacting mode and large therapeutic window are appealing alternative to improve efficacy of clinical platinum chemotherapeutics. Herein, we describe three novel dinuclear [{Pt(en)Cl}2(μ-L)]2+ complexes with different pyridine-like bridging ligands (L), 4,4′-bipyridine (Pt1), 1,2-bis(4-pyridyl)ethane (Pt2) and 1,2-bis(4-pyridyl)ethene (Pt3), which highly, positively charged aqua derivatives, [{Pt(en)(H2O)}2(μ-L)]4+, interact with the phosphate backbone forming DNA-Pt adducts with an unique and previously undescribed binding mode, called a minor groove covering. The results of this study suggested that the new binding mode of the aqua-Pt(II) complexes with DNA could be attributed to the higher anticancer activities of their chloride analogues. All three compounds, particularly complex [{Pt(en)Cl}2(μ-4,4′-bipy)]Cl2·2H2O (4,4′-bipy is 4,4′-bipyridine) (Pt1), overcame cisplatin resistance in vivo in the zebrafish–mouse melanoma xenograft model, showed much higher therapeutic potential than antiangiogenic drug sunitinib malate, while effectively blocking tumor neovascularization and melanoma cell metastasis. Overall therapeutic profile showed new dinuclear Pt(II) complexes could be novel, effective and safe anticancer agents. Finally, the correlation with the structural characteristics of these complexes can serve as a useful tool for developing new and more effective anticancer drugs.
PB  - Springer
T2  - Journal of Biological Inorganic Chemistry
T1  - New minor groove covering DNA binding mode of dinuclear Pt(II) complexes with various pyridine-linked bridging ligands and dual anticancer-antiangiogenic activities
VL  - 409
IS  - 25
SP  - 395
EP  - 409
DO  - 10.1007/s00775-020-01770-7
ER  - 

@article{
author = "Franich, Andjela and Živković, Marija D. and Ilić-Tomić, Tatjana and Đorđević, Ivana and Nikodinović-Runić, Jasmina and Pavić, Aleksandar and Janjić, Goran and Rajković, Snežana",
year = "2020",
abstract = "New anticancer platinum(II) compounds simultaneously targeting tumor cells and tumor-derived neoangiogenesis, with new DNA interacting mode and large therapeutic window are appealing alternative to improve efficacy of clinical platinum chemotherapeutics. Herein, we describe three novel dinuclear [{Pt(en)Cl}2(μ-L)]2+ complexes with different pyridine-like bridging ligands (L), 4,4′-bipyridine (Pt1), 1,2-bis(4-pyridyl)ethane (Pt2) and 1,2-bis(4-pyridyl)ethene (Pt3), which highly, positively charged aqua derivatives, [{Pt(en)(H2O)}2(μ-L)]4+, interact with the phosphate backbone forming DNA-Pt adducts with an unique and previously undescribed binding mode, called a minor groove covering. The results of this study suggested that the new binding mode of the aqua-Pt(II) complexes with DNA could be attributed to the higher anticancer activities of their chloride analogues. All three compounds, particularly complex [{Pt(en)Cl}2(μ-4,4′-bipy)]Cl2·2H2O (4,4′-bipy is 4,4′-bipyridine) (Pt1), overcame cisplatin resistance in vivo in the zebrafish–mouse melanoma xenograft model, showed much higher therapeutic potential than antiangiogenic drug sunitinib malate, while effectively blocking tumor neovascularization and melanoma cell metastasis. Overall therapeutic profile showed new dinuclear Pt(II) complexes could be novel, effective and safe anticancer agents. Finally, the correlation with the structural characteristics of these complexes can serve as a useful tool for developing new and more effective anticancer drugs.",
publisher = "Springer",
journal = "Journal of Biological Inorganic Chemistry",
title = "New minor groove covering DNA binding mode of dinuclear Pt(II) complexes with various pyridine-linked bridging ligands and dual anticancer-antiangiogenic activities",
volume = "409",
number = "25",
pages = "395-409",
doi = "10.1007/s00775-020-01770-7"
}

Franich, A., Živković, M. D., Ilić-Tomić, T., Đorđević, I., Nikodinović-Runić, J., Pavić, A., Janjić, G.,& Rajković, S.. (2020). New minor groove covering DNA binding mode of dinuclear Pt(II) complexes with various pyridine-linked bridging ligands and dual anticancer-antiangiogenic activities. in Journal of Biological Inorganic Chemistry
Springer., 409(25), 395-409.
https://doi.org/10.1007/s00775-020-01770-7

Franich A, Živković MD, Ilić-Tomić T, Đorđević I, Nikodinović-Runić J, Pavić A, Janjić G, Rajković S. New minor groove covering DNA binding mode of dinuclear Pt(II) complexes with various pyridine-linked bridging ligands and dual anticancer-antiangiogenic activities. in Journal of Biological Inorganic Chemistry. 2020;409(25):395-409.
doi:10.1007/s00775-020-01770-7 .

Franich, Andjela, Živković, Marija D., Ilić-Tomić, Tatjana, Đorđević, Ivana, Nikodinović-Runić, Jasmina, Pavić, Aleksandar, Janjić, Goran, Rajković, Snežana, "New minor groove covering DNA binding mode of dinuclear Pt(II) complexes with various pyridine-linked bridging ligands and dual anticancer-antiangiogenic activities" in Journal of Biological Inorganic Chemistry, 409, no. 25 (2020):395-409,
https://doi.org/10.1007/s00775-020-01770-7 . .

TY  - JOUR
AU  - Pantelić, Nebojša Đ.
AU  - Zmejkovski, Bojana
AU  - Božić, Bojan
AU  - Dojčinović, Biljana
AU  - Banjac, Nebojša R.
AU  - Wessjohann, Ludger A.
AU  - Kaluđerović, Goran N.
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3653
AB  - Two novel triphenyltin(IV) compounds, [Ph3SnL1] (L1 = 2-(5-(4-fluorobenzylidene)-2,4-dioxotetrahydrothiazole-
3-yl)propanoate (1)) and [Ph3SnL2] (L2 = 2-(5-(5-methyl-2-furfurylidene)-2,4-dioxotetrahydrothiazole-
3-yl)propanoate (2)) were synthesized and characterized by FT-IR, (1H and 13C) NMR spectroscopy,
mass spectrometry, and elemental microanalysis. The in vitro anticancer activity of the synthesized organotin(IV)
compounds was determined against four tumor cell lines: PC-3 (prostate), HT-29 (colon), MCF-7 (breast), and
HepG2 (hepatic) using MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-12 diphenyltetrazolium bromide) and CV (crystal
violet) assays. The IC50 values are found to be in the range from 0.11 to 0.50 μM. Compound 1 exhibits the
highest activity toward PC-3 cells (IC50 = 0.115  } 0.009 μM; CV assay). The tin and platinum uptake in PC-3
cells showed a threefold lower uptake of tin in comparison to platinum (as cisplatin). Together with its higher
activity this indicates a much higher cell inhibition potential of the tin compounds (calculated to ca. 50 to 100
times). Morphological analysis suggested that the compounds induce apoptosis in PC-3 cells, and flow cytometry
analysis revealed that 1 and 2 induce autophagy as well as NO (nitric oxide) production.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid
VL  - 212
SP  - 111207
DO  - 10.1016/j.jinorgbio.2020.111207
ER  - 

@article{
author = "Pantelić, Nebojša Đ. and Zmejkovski, Bojana and Božić, Bojan and Dojčinović, Biljana and Banjac, Nebojša R. and Wessjohann, Ludger A. and Kaluđerović, Goran N.",
year = "2020",
abstract = "Two novel triphenyltin(IV) compounds, [Ph3SnL1] (L1 = 2-(5-(4-fluorobenzylidene)-2,4-dioxotetrahydrothiazole-
3-yl)propanoate (1)) and [Ph3SnL2] (L2 = 2-(5-(5-methyl-2-furfurylidene)-2,4-dioxotetrahydrothiazole-
3-yl)propanoate (2)) were synthesized and characterized by FT-IR, (1H and 13C) NMR spectroscopy,
mass spectrometry, and elemental microanalysis. The in vitro anticancer activity of the synthesized organotin(IV)
compounds was determined against four tumor cell lines: PC-3 (prostate), HT-29 (colon), MCF-7 (breast), and
HepG2 (hepatic) using MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-12 diphenyltetrazolium bromide) and CV (crystal
violet) assays. The IC50 values are found to be in the range from 0.11 to 0.50 μM. Compound 1 exhibits the
highest activity toward PC-3 cells (IC50 = 0.115  } 0.009 μM; CV assay). The tin and platinum uptake in PC-3
cells showed a threefold lower uptake of tin in comparison to platinum (as cisplatin). Together with its higher
activity this indicates a much higher cell inhibition potential of the tin compounds (calculated to ca. 50 to 100
times). Morphological analysis suggested that the compounds induce apoptosis in PC-3 cells, and flow cytometry
analysis revealed that 1 and 2 induce autophagy as well as NO (nitric oxide) production.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid",
volume = "212",
pages = "111207",
doi = "10.1016/j.jinorgbio.2020.111207"
}

Pantelić, N. Đ., Zmejkovski, B., Božić, B., Dojčinović, B., Banjac, N. R., Wessjohann, L. A.,& Kaluđerović, G. N.. (2020). Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid. in Journal of Inorganic Biochemistry
Elsevier., 212, 111207.
https://doi.org/10.1016/j.jinorgbio.2020.111207

Pantelić NĐ, Zmejkovski B, Božić B, Dojčinović B, Banjac NR, Wessjohann LA, Kaluđerović GN. Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid. in Journal of Inorganic Biochemistry. 2020;212:111207.
doi:10.1016/j.jinorgbio.2020.111207 .

Pantelić, Nebojša Đ., Zmejkovski, Bojana, Božić, Bojan, Dojčinović, Biljana, Banjac, Nebojša R., Wessjohann, Ludger A., Kaluđerović, Goran N., "Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid" in Journal of Inorganic Biochemistry, 212 (2020):111207,
https://doi.org/10.1016/j.jinorgbio.2020.111207 . .

TY  - JOUR
AU  - Pantelić, Nebojša Đ.
AU  - Zmejkovski, Bojana
AU  - Božić, Bojan
AU  - Dojčinović, Biljana
AU  - Banjac, Nebojša R.
AU  - Wessjohann, Ludger A.
AU  - Kaluđerović, Goran N.
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3654
AB  - Two novel triphenyltin(IV) compounds, [Ph3SnL1] (L1 = 2-(5-(4-fluorobenzylidene)-2,4-dioxotetrahydrothiazole-3-yl)propanoate (1)) and [Ph3SnL2] (L2 = 2-(5-(5-methyl-2-furfurylidene)-2,4-dioxotetrahydrothiazole-3-yl)propanoate (2)) were synthesized and characterized by FT-IR, (1H and 13C) NMR spectroscopy,mass spectrometry, and elemental microanalysis. The in vitro anticancer activity of the synthesized organotin(IV)compounds was determined against four tumor cell lines: PC-3 (prostate), HT-29 (colon), MCF-7 (breast), andHepG2 (hepatic) using MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-12 diphenyltetrazolium bromide) and CV (crystalviolet) assays. The IC50 values are found to be in the range from 0.11 to 0.50 μM. Compound 1 exhibits thehighest activity toward PC-3 cells (IC50 = 0.115  } 0.009 μM; CV assay). The tin and platinum uptake in PC-3cells showed a threefold lower uptake of tin in comparison to platinum (as cisplatin). Together with its higheractivity this indicates a much higher cell inhibition potential of the tin compounds (calculated to ca. 50 to 100times). Morphological analysis suggested that the compounds induce apoptosis in PC-3 cells, and flow cytometryanalysis revealed that 1 and 2 induce autophagy as well as NO (nitric oxide) production.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid
VL  - 212
SP  - 111207
DO  - 10.1016/j.jinorgbio.2020.111207
ER  - 

@article{
author = "Pantelić, Nebojša Đ. and Zmejkovski, Bojana and Božić, Bojan and Dojčinović, Biljana and Banjac, Nebojša R. and Wessjohann, Ludger A. and Kaluđerović, Goran N.",
year = "2020",
abstract = "Two novel triphenyltin(IV) compounds, [Ph3SnL1] (L1 = 2-(5-(4-fluorobenzylidene)-2,4-dioxotetrahydrothiazole-3-yl)propanoate (1)) and [Ph3SnL2] (L2 = 2-(5-(5-methyl-2-furfurylidene)-2,4-dioxotetrahydrothiazole-3-yl)propanoate (2)) were synthesized and characterized by FT-IR, (1H and 13C) NMR spectroscopy,mass spectrometry, and elemental microanalysis. The in vitro anticancer activity of the synthesized organotin(IV)compounds was determined against four tumor cell lines: PC-3 (prostate), HT-29 (colon), MCF-7 (breast), andHepG2 (hepatic) using MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-12 diphenyltetrazolium bromide) and CV (crystalviolet) assays. The IC50 values are found to be in the range from 0.11 to 0.50 μM. Compound 1 exhibits thehighest activity toward PC-3 cells (IC50 = 0.115  } 0.009 μM; CV assay). The tin and platinum uptake in PC-3cells showed a threefold lower uptake of tin in comparison to platinum (as cisplatin). Together with its higheractivity this indicates a much higher cell inhibition potential of the tin compounds (calculated to ca. 50 to 100times). Morphological analysis suggested that the compounds induce apoptosis in PC-3 cells, and flow cytometryanalysis revealed that 1 and 2 induce autophagy as well as NO (nitric oxide) production.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid",
volume = "212",
pages = "111207",
doi = "10.1016/j.jinorgbio.2020.111207"
}

Pantelić, N. Đ., Zmejkovski, B., Božić, B., Dojčinović, B., Banjac, N. R., Wessjohann, L. A.,& Kaluđerović, G. N.. (2020). Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid. in Journal of Inorganic Biochemistry
Elsevier., 212, 111207.
https://doi.org/10.1016/j.jinorgbio.2020.111207

Pantelić NĐ, Zmejkovski B, Božić B, Dojčinović B, Banjac NR, Wessjohann LA, Kaluđerović GN. Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid. in Journal of Inorganic Biochemistry. 2020;212:111207.
doi:10.1016/j.jinorgbio.2020.111207 .

Pantelić, Nebojša Đ., Zmejkovski, Bojana, Božić, Bojan, Dojčinović, Biljana, Banjac, Nebojša R., Wessjohann, Ludger A., Kaluđerović, Goran N., "Synthesis, characterization and in vitro biological evaluation of novel organotin(IV) compounds with derivatives of 2-(5-arylidene-2,4- dioxothiazolidin-3-yl)propanoic acid" in Journal of Inorganic Biochemistry, 212 (2020):111207,
https://doi.org/10.1016/j.jinorgbio.2020.111207 . .

TY  - JOUR
AU  - Burazer, Nikola
AU  - Šajnović, Aleksandra
AU  - Vasić, Nebojša
AU  - Kašanin-Grubin, Milica
AU  - Životić, Dragana
AU  - Mendonça Filho, João Graciano
AU  - Vulić, Predrag
AU  - Jovančićević, Branimir
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3837
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3389
AB  - The investigation of the relationship between paleoenvironmental conditions and distribution and relative abundance of specific saturated and aromatic hydrocarbons was the main objective of this study, thus marking the parameters, which were most sensitive to environmental changes. Insights on the type, generative potential, and maturity of organic matter (OM), as well as paleoclimate conditions, along with the reconstruction of depositional settings of the northwest part of the Toplica basin (Serbia), were provided. Organic petrographic, palynofacies, organic geochemical, mineralogical, and XRF analyses were carried out to investigate 40 sediment samples of the Prebreza and Čučale sedimentary units. Investigated samples were deposited in the saline and anoxic environment, under semi-arid to semi-humid/humid climate conditions, along with the constant inflow of volcanoclastic material. The predominance of δ-methyltrimethyltridecil chroman (δ-MTTC) within euxinic portions of the stratified water column was associated with an increase in salinity, which was noticed for sediments of the Prebreza unit. Sediments from this stratigraphic unit showed a higher contribution of algae precursor, whereas sediments of the Čučale unit suggested higher participation of microbiologically reworked OM. Most of the samples contained oil-prone kerogen type II. Maturity of the OM for sediments of the Prebreza unit ranged from immature to early-mature, while for samples of the Čučale unit varied from early-mature to mature stages. Distribution of hopane biomarkers typical for crude oil indicated that depth of 1 km was a boundary for the genesis of thermodynamic, more stable compounds. A significant portion of semifusinite was correlated with the paleofire event, which affected the distribution of n-alkanes. The high production of hydrocarbons was related to volcanic activity. Parameters, which proved to be highly susceptible at the stratigraphic boundary between the Prebreza and Čučale units, were C-value, S/H, α-MTTC, δ-MTTC, β-/γ-MTTC, and (1,3- + 1,6-)/(1,4 + 1,5-DMC), respectively.
PB  - Elsevier
T2  - Marine and Petroleum Geology
T1  - Influence of paleoenvironmental conditions on distribution and relative abundance of saturated and aromatic hydrocarbons in sediments from the NW part of the Toplica basin, Serbia
VL  - 115
SP  - 104252
DO  - 10.1016/j.marpetgeo.2020.104252
ER  - 

@article{
author = "Burazer, Nikola and Šajnović, Aleksandra and Vasić, Nebojša and Kašanin-Grubin, Milica and Životić, Dragana and Mendonça Filho, João Graciano and Vulić, Predrag and Jovančićević, Branimir",
year = "2020",
abstract = "The investigation of the relationship between paleoenvironmental conditions and distribution and relative abundance of specific saturated and aromatic hydrocarbons was the main objective of this study, thus marking the parameters, which were most sensitive to environmental changes. Insights on the type, generative potential, and maturity of organic matter (OM), as well as paleoclimate conditions, along with the reconstruction of depositional settings of the northwest part of the Toplica basin (Serbia), were provided. Organic petrographic, palynofacies, organic geochemical, mineralogical, and XRF analyses were carried out to investigate 40 sediment samples of the Prebreza and Čučale sedimentary units. Investigated samples were deposited in the saline and anoxic environment, under semi-arid to semi-humid/humid climate conditions, along with the constant inflow of volcanoclastic material. The predominance of δ-methyltrimethyltridecil chroman (δ-MTTC) within euxinic portions of the stratified water column was associated with an increase in salinity, which was noticed for sediments of the Prebreza unit. Sediments from this stratigraphic unit showed a higher contribution of algae precursor, whereas sediments of the Čučale unit suggested higher participation of microbiologically reworked OM. Most of the samples contained oil-prone kerogen type II. Maturity of the OM for sediments of the Prebreza unit ranged from immature to early-mature, while for samples of the Čučale unit varied from early-mature to mature stages. Distribution of hopane biomarkers typical for crude oil indicated that depth of 1 km was a boundary for the genesis of thermodynamic, more stable compounds. A significant portion of semifusinite was correlated with the paleofire event, which affected the distribution of n-alkanes. The high production of hydrocarbons was related to volcanic activity. Parameters, which proved to be highly susceptible at the stratigraphic boundary between the Prebreza and Čučale units, were C-value, S/H, α-MTTC, δ-MTTC, β-/γ-MTTC, and (1,3- + 1,6-)/(1,4 + 1,5-DMC), respectively.",
publisher = "Elsevier",
journal = "Marine and Petroleum Geology",
title = "Influence of paleoenvironmental conditions on distribution and relative abundance of saturated and aromatic hydrocarbons in sediments from the NW part of the Toplica basin, Serbia",
volume = "115",
pages = "104252",
doi = "10.1016/j.marpetgeo.2020.104252"
}

Burazer, N., Šajnović, A., Vasić, N., Kašanin-Grubin, M., Životić, D., Mendonça Filho, J. G., Vulić, P.,& Jovančićević, B.. (2020). Influence of paleoenvironmental conditions on distribution and relative abundance of saturated and aromatic hydrocarbons in sediments from the NW part of the Toplica basin, Serbia. in Marine and Petroleum Geology
Elsevier., 115, 104252.
https://doi.org/10.1016/j.marpetgeo.2020.104252

Burazer N, Šajnović A, Vasić N, Kašanin-Grubin M, Životić D, Mendonça Filho JG, Vulić P, Jovančićević B. Influence of paleoenvironmental conditions on distribution and relative abundance of saturated and aromatic hydrocarbons in sediments from the NW part of the Toplica basin, Serbia. in Marine and Petroleum Geology. 2020;115:104252.
doi:10.1016/j.marpetgeo.2020.104252 .

Burazer, Nikola, Šajnović, Aleksandra, Vasić, Nebojša, Kašanin-Grubin, Milica, Životić, Dragana, Mendonça Filho, João Graciano, Vulić, Predrag, Jovančićević, Branimir, "Influence of paleoenvironmental conditions on distribution and relative abundance of saturated and aromatic hydrocarbons in sediments from the NW part of the Toplica basin, Serbia" in Marine and Petroleum Geology, 115 (2020):104252,
https://doi.org/10.1016/j.marpetgeo.2020.104252 . .

TY  - JOUR
AU  - Đorđević, Ivana S.
AU  - Popadić, Marko
AU  - Sarvan, Mirjana
AU  - Petković - Benazzouz, Marija
AU  - Janjić, Goran
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3474
AB  - Statistical analysis of data from crystal structures extracted from the Cambridge Structural Database (CSD) has shown that S and Se atoms display a similar tendency towards specific types of interaction if they are part of a fragment that corresponds to the side chains of cysteine (Cys), methionine (Met) selenocysteine (Sec) and selenomethionine (Mse). The most numerous are structures with C-H..Se and C-H..S interactions (∼80%), notably less numerous are structures with Se..Se and S..S interactions (∼5%), and Se..π and S..π interactions are the least numerous. The results of quantum-chemical calculations have indicated that C-H..Se (∼-0.8 kcal mol-1) and C-H..S interactions are weaker than the most stable parallel interaction (∼-3.3 kcal mol-1) and electrostatic interactions of σ/π type (∼-2.6 kcal mol-1). Their significant presence can be explained by the abundance of CH groups compared with the numbers of Se and S atoms in the crystal structures, and also by the influence of substituents bonded to the Se or S atom that further reduce their possibilities for interacting with species from the environment. This can also offer an explanation as to why O-H..Se (∼-4.4 kcal mol-1) and N-H..Se interactions (∼-2.2 kcal mol-1) are less numerous. Docking studies revealed that S and Se rarely participate in interactions with the amino acid residues of target enzymes, mostly because those residues preferentially interact with the substituents bonded to Se and S. The differences between Se and S ligands in the number and positions of their binding sites are more pronounced if the substituents are polar and if there are more Se/S atoms in the ligand.
PB  - International Union of Crystallography
T2  - Acta Crystallographica. Section B: Structural Science Crystal Engineering and Materials
T1  - Supramolecular insight into the substitution of sulfur by selenium, based on crystal structures, quantum-chemical calculations and biosystem recognition
VL  - 76
SP  - 122
EP  - 136
DO  - 10.1107/S2052520619016287
ER  - 

@article{
author = "Đorđević, Ivana S. and Popadić, Marko and Sarvan, Mirjana and Petković - Benazzouz, Marija and Janjić, Goran",
year = "2020",
abstract = "Statistical analysis of data from crystal structures extracted from the Cambridge Structural Database (CSD) has shown that S and Se atoms display a similar tendency towards specific types of interaction if they are part of a fragment that corresponds to the side chains of cysteine (Cys), methionine (Met) selenocysteine (Sec) and selenomethionine (Mse). The most numerous are structures with C-H..Se and C-H..S interactions (∼80%), notably less numerous are structures with Se..Se and S..S interactions (∼5%), and Se..π and S..π interactions are the least numerous. The results of quantum-chemical calculations have indicated that C-H..Se (∼-0.8 kcal mol-1) and C-H..S interactions are weaker than the most stable parallel interaction (∼-3.3 kcal mol-1) and electrostatic interactions of σ/π type (∼-2.6 kcal mol-1). Their significant presence can be explained by the abundance of CH groups compared with the numbers of Se and S atoms in the crystal structures, and also by the influence of substituents bonded to the Se or S atom that further reduce their possibilities for interacting with species from the environment. This can also offer an explanation as to why O-H..Se (∼-4.4 kcal mol-1) and N-H..Se interactions (∼-2.2 kcal mol-1) are less numerous. Docking studies revealed that S and Se rarely participate in interactions with the amino acid residues of target enzymes, mostly because those residues preferentially interact with the substituents bonded to Se and S. The differences between Se and S ligands in the number and positions of their binding sites are more pronounced if the substituents are polar and if there are more Se/S atoms in the ligand.",
publisher = "International Union of Crystallography",
journal = "Acta Crystallographica. Section B: Structural Science Crystal Engineering and Materials",
title = "Supramolecular insight into the substitution of sulfur by selenium, based on crystal structures, quantum-chemical calculations and biosystem recognition",
volume = "76",
pages = "122-136",
doi = "10.1107/S2052520619016287"
}

Đorđević, I. S., Popadić, M., Sarvan, M., Petković - Benazzouz, M.,& Janjić, G.. (2020). Supramolecular insight into the substitution of sulfur by selenium, based on crystal structures, quantum-chemical calculations and biosystem recognition. in Acta Crystallographica. Section B: Structural Science Crystal Engineering and Materials
International Union of Crystallography., 76, 122-136.
https://doi.org/10.1107/S2052520619016287

Đorđević IS, Popadić M, Sarvan M, Petković - Benazzouz M, Janjić G. Supramolecular insight into the substitution of sulfur by selenium, based on crystal structures, quantum-chemical calculations and biosystem recognition. in Acta Crystallographica. Section B: Structural Science Crystal Engineering and Materials. 2020;76:122-136.
doi:10.1107/S2052520619016287 .

Đorđević, Ivana S., Popadić, Marko, Sarvan, Mirjana, Petković - Benazzouz, Marija, Janjić, Goran, "Supramolecular insight into the substitution of sulfur by selenium, based on crystal structures, quantum-chemical calculations and biosystem recognition" in Acta Crystallographica. Section B: Structural Science Crystal Engineering and Materials, 76 (2020):122-136,
https://doi.org/10.1107/S2052520619016287 . .

TY  - JOUR
AU  - Janjić, Goran
AU  - Jelić, Stefan
AU  - Trišović, Nemanja
AU  - Popović, Dragan
AU  - Đorđević, Ivana
AU  - Milčić, Miloš
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3882
AB  - Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F···F interactions is followed by the shift of the electron density in the area of F···F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F···F interactions in crystal structures, but also a large number of structures with F···O interactions. Only C–H···F interactions are more numerous than F···F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth and Design
T1  - New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures
VL  - 20
IS  - 5
SP  - 2943
EP  - 2951
DO  - 10.1021/acs.cgd.9b01565
ER  - 

@article{
author = "Janjić, Goran and Jelić, Stefan and Trišović, Nemanja and Popović, Dragan and Đorđević, Ivana and Milčić, Miloš",
year = "2020",
abstract = "Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F···F interactions is followed by the shift of the electron density in the area of F···F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F···F interactions in crystal structures, but also a large number of structures with F···O interactions. Only C–H···F interactions are more numerous than F···F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth and Design",
title = "New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures",
volume = "20",
number = "5",
pages = "2943-2951",
doi = "10.1021/acs.cgd.9b01565"
}

Janjić, G., Jelić, S., Trišović, N., Popović, D., Đorđević, I.,& Milčić, M.. (2020). New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth and Design
American Chemical Society (ACS)., 20(5), 2943-2951.
https://doi.org/10.1021/acs.cgd.9b01565

Janjić G, Jelić S, Trišović N, Popović D, Đorđević I, Milčić M. New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth and Design. 2020;20(5):2943-2951.
doi:10.1021/acs.cgd.9b01565 .

Janjić, Goran, Jelić, Stefan, Trišović, Nemanja, Popović, Dragan, Đorđević, Ivana, Milčić, Miloš, "New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures" in Crystal Growth and Design, 20, no. 5 (2020):2943-2951,
https://doi.org/10.1021/acs.cgd.9b01565 . .

TY  - CHAP
AU  - Zlatar, Matija
AU  - Gruden, Maja
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3091
AB  - This chapter provides an introduction to the electronic structure of coordination compounds. The introduction and overview of quantum chemistry, electronic structure of atoms, ligand field theory, and computational chemistry of transition metal compounds are given.
PB  - Elsevier
T2  - Practical Approaches to Biological Inorganic Chemistry, 2nd Edition
T1  - Introduction to ligand field theory and computational chemistry
SP  - 17
EP  - 67
DO  - 10.1016/B978-0-444-64225-7.00002-X
ER  - 

@inbook{
author = "Zlatar, Matija and Gruden, Maja",
year = "2020",
abstract = "This chapter provides an introduction to the electronic structure of coordination compounds. The introduction and overview of quantum chemistry, electronic structure of atoms, ligand field theory, and computational chemistry of transition metal compounds are given.",
publisher = "Elsevier",
journal = "Practical Approaches to Biological Inorganic Chemistry, 2nd Edition",
booktitle = "Introduction to ligand field theory and computational chemistry",
pages = "17-67",
doi = "10.1016/B978-0-444-64225-7.00002-X"
}

Zlatar, M.,& Gruden, M.. (2020). Introduction to ligand field theory and computational chemistry. in Practical Approaches to Biological Inorganic Chemistry, 2nd Edition
Elsevier., 17-67.
https://doi.org/10.1016/B978-0-444-64225-7.00002-X

Zlatar M, Gruden M. Introduction to ligand field theory and computational chemistry. in Practical Approaches to Biological Inorganic Chemistry, 2nd Edition. 2020;:17-67.
doi:10.1016/B978-0-444-64225-7.00002-X .

Zlatar, Matija, Gruden, Maja, "Introduction to ligand field theory and computational chemistry" in Practical Approaches to Biological Inorganic Chemistry, 2nd Edition (2020):17-67,
https://doi.org/10.1016/B978-0-444-64225-7.00002-X . .

TY  - JOUR
AU  - Vuković, Marina
AU  - Dinić, Ivana
AU  - Nikolić, Marko G.
AU  - Marinković, Bojan A.
AU  - Costa, Antonio Mario Leal Martins
AU  - Radulović, Katarina
AU  - Milošević, Olivera
AU  - Mančić, Lidija
PY  - 2020
UR  - https://doi.org/10.1007/s12034-019-1975-1
UR  - http://dais.sanu.ac.rs/123456789/6911
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3324
AB  - Up-converting NaYF4:Yb,Er nanoparticles were obtained by polymer-assisted solvothermal synthesis using a common solution of hydrated RE nitrates in ethanol or ethylene glycol. It was shown that polymer choice (polyacrylic acid—PAA, polyvinylpyrrolidone—PVP and chitosan—CS) controls the size and shape of NaYF4:Yb,Er nanoparticles, while the solvent type and pH value affect their crystallinity. Consequently, the spherical nanoparticles of a cubic (α) phase, the average size of which ranged from 60 to 140 nm, were obtained either when PVP/ethanol or PVP/ethylene glycol were used solely during synthesis, whereas NaOH addition induced hexagonal (β) phase nucleation. The formation of the hierarchically organized spherical aggregates and nanofoils was observed when CS and PAA were used during synthesis, respectively. The average crystallite size, microstrain, doping level, lattice parameters, as well as, the presence of the certain ligands on the particle surface were determined and correlated with the intensity of visible-light emission observed under 980 nm laser-diode excitation.
PB  - Springer
T2  - Bulletin of Materials Science
T1  - Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase
VL  - 43
IS  - 1
SP  - 2
DO  - 10.1007/s12034-019-1975-1
ER  - 

@article{
author = "Vuković, Marina and Dinić, Ivana and Nikolić, Marko G. and Marinković, Bojan A. and Costa, Antonio Mario Leal Martins and Radulović, Katarina and Milošević, Olivera and Mančić, Lidija",
year = "2020",
abstract = "Up-converting NaYF4:Yb,Er nanoparticles were obtained by polymer-assisted solvothermal synthesis using a common solution of hydrated RE nitrates in ethanol or ethylene glycol. It was shown that polymer choice (polyacrylic acid—PAA, polyvinylpyrrolidone—PVP and chitosan—CS) controls the size and shape of NaYF4:Yb,Er nanoparticles, while the solvent type and pH value affect their crystallinity. Consequently, the spherical nanoparticles of a cubic (α) phase, the average size of which ranged from 60 to 140 nm, were obtained either when PVP/ethanol or PVP/ethylene glycol were used solely during synthesis, whereas NaOH addition induced hexagonal (β) phase nucleation. The formation of the hierarchically organized spherical aggregates and nanofoils was observed when CS and PAA were used during synthesis, respectively. The average crystallite size, microstrain, doping level, lattice parameters, as well as, the presence of the certain ligands on the particle surface were determined and correlated with the intensity of visible-light emission observed under 980 nm laser-diode excitation.",
publisher = "Springer",
journal = "Bulletin of Materials Science",
title = "Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase",
volume = "43",
number = "1",
pages = "2",
doi = "10.1007/s12034-019-1975-1"
}

Vuković, M., Dinić, I., Nikolić, M. G., Marinković, B. A., Costa, A. M. L. M., Radulović, K., Milošević, O.,& Mančić, L.. (2020). Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase. in Bulletin of Materials Science
Springer., 43(1), 2.
https://doi.org/10.1007/s12034-019-1975-1

Vuković M, Dinić I, Nikolić MG, Marinković BA, Costa AMLM, Radulović K, Milošević O, Mančić L. Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase. in Bulletin of Materials Science. 2020;43(1):2.
doi:10.1007/s12034-019-1975-1 .

Vuković, Marina, Dinić, Ivana, Nikolić, Marko G., Marinković, Bojan A., Costa, Antonio Mario Leal Martins, Radulović, Katarina, Milošević, Olivera, Mančić, Lidija, "Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase" in Bulletin of Materials Science, 43, no. 1 (2020):2,
https://doi.org/10.1007/s12034-019-1975-1 . .

TY  - JOUR
AU  - Vuković, Marina
AU  - Dinić, Ivana
AU  - Nikolić, Marko G.
AU  - Marinković, Bojan A.
AU  - Costa, Antonio Mario Leal Martins
AU  - Radulović, Katarina
AU  - Milošević, Olivera
AU  - Mančić, Lidija
PY  - 2020
UR  - https://doi.org/10.1007/s12034-019-1975-1
UR  - http://dais.sanu.ac.rs/123456789/6912
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3323
AB  - Up-converting NaYF4:Yb,Er nanoparticles were obtained by polymer-assisted solvothermal synthesis using a common solution of hydrated RE nitrates in ethanol or ethylene glycol. It was shown that polymer choice (polyacrylic acid—PAA, polyvinylpyrrolidone—PVP and chitosan—CS) controls the size and shape of NaYF4:Yb,Er nanoparticles, while the solvent type and pH value affect their crystallinity. Consequently, the spherical nanoparticles of a cubic (α) phase, the average size of which ranged from 60 to 140 nm, were obtained either when PVP/ethanol or PVP/ethylene glycol were used solely during synthesis, whereas NaOH addition induced hexagonal (β) phase nucleation. The formation of the hierarchically organized spherical aggregates and nanofoils was observed when CS and PAA were used during synthesis, respectively. The average crystallite size, microstrain, doping level, lattice parameters, as well as, the presence of the certain ligands on the particle surface were determined and correlated with the intensity of visible-light emission observed under 980 nm laser-diode excitation.
PB  - Springer
T2  - Bulletin of Materials Science
T1  - Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase
VL  - 43
IS  - 1
SP  - 2
DO  - 10.1007/s12034-019-1975-1
ER  - 

@article{
author = "Vuković, Marina and Dinić, Ivana and Nikolić, Marko G. and Marinković, Bojan A. and Costa, Antonio Mario Leal Martins and Radulović, Katarina and Milošević, Olivera and Mančić, Lidija",
year = "2020",
abstract = "Up-converting NaYF4:Yb,Er nanoparticles were obtained by polymer-assisted solvothermal synthesis using a common solution of hydrated RE nitrates in ethanol or ethylene glycol. It was shown that polymer choice (polyacrylic acid—PAA, polyvinylpyrrolidone—PVP and chitosan—CS) controls the size and shape of NaYF4:Yb,Er nanoparticles, while the solvent type and pH value affect their crystallinity. Consequently, the spherical nanoparticles of a cubic (α) phase, the average size of which ranged from 60 to 140 nm, were obtained either when PVP/ethanol or PVP/ethylene glycol were used solely during synthesis, whereas NaOH addition induced hexagonal (β) phase nucleation. The formation of the hierarchically organized spherical aggregates and nanofoils was observed when CS and PAA were used during synthesis, respectively. The average crystallite size, microstrain, doping level, lattice parameters, as well as, the presence of the certain ligands on the particle surface were determined and correlated with the intensity of visible-light emission observed under 980 nm laser-diode excitation.",
publisher = "Springer",
journal = "Bulletin of Materials Science",
title = "Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase",
volume = "43",
number = "1",
pages = "2",
doi = "10.1007/s12034-019-1975-1"
}

Vuković, M., Dinić, I., Nikolić, M. G., Marinković, B. A., Costa, A. M. L. M., Radulović, K., Milošević, O.,& Mančić, L.. (2020). Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase. in Bulletin of Materials Science
Springer., 43(1), 2.
https://doi.org/10.1007/s12034-019-1975-1

Vuković M, Dinić I, Nikolić MG, Marinković BA, Costa AMLM, Radulović K, Milošević O, Mančić L. Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase. in Bulletin of Materials Science. 2020;43(1):2.
doi:10.1007/s12034-019-1975-1 .

Vuković, Marina, Dinić, Ivana, Nikolić, Marko G., Marinković, Bojan A., Costa, Antonio Mario Leal Martins, Radulović, Katarina, Milošević, Olivera, Mančić, Lidija, "Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase" in Bulletin of Materials Science, 43, no. 1 (2020):2,
https://doi.org/10.1007/s12034-019-1975-1 . .

TY  - JOUR
AU  - Popović, Dragan
AU  - Đorđević, Ivana
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4031
AB  - The molecular mechanism by which electron transfer (ET) is coupled to proton pumping in cytochrome oxidase is one of the main unsolved problems in biochemistry. Particularly, the nature and position of the proton-loading site is under dispute. The CuB complex has three ligated histidines, whereas only His290 and His291 are ionizable sites with the same pKa values in aqueous solution, but apparently quite different ones within the enzyme. Earlier, a model of proton pumping with the central role of His290 was proposed. Recent calculations indicate that the His291 ligand of the CuB center might play the role of the pumping element, since its protonation state depends on the oxidation state of the binuclear complex (BNC). The present electrostatic study was applied to assess the role of the protein environment on the acidity of the two histidines. Their pKa values and effects of different energy terms were evaluated to discover the nature of their diverse behavior in the enzyme. Here, a new set of pKa values for the non-standard model compounds within the BNC was applied. The enhanced results are compared with results of previous studies in the light of the plausible proton pumping mechanism. The obtained microscopic and apparent pKa values in the oxidized state of BNC are virtually the same, indicating that deprotonated form of His291 accounts for the large pKa increase of His290, since then both titratable sites on then CuB center cannot simultaneously be in the charged state. The present results support the underlined His291 pumping model.
AB  - Молекулски механизам помоћу којег је пренос електрона спрегнут са протонском пумпом у цитохром c оксидази (CcО) представља један од главних нерешених проблема у биохемији. Посебно, природа и положај места везивања протона за пумпање (PLS) су главне тачке спорења. CuB комплекс има три хистидинска лиганда, при чему су само His290 и His291 титратибилни и међусобно слични са истим pKa вредностима у воденом раствору, али су очигледно сасвим различити унутар CcО ензима. Раније је био предложен модел протонске пумпе у CcО са централном улогом His290, али недавни прорачуни наше групе показују да би His291, лиганд CuB центра, могао имати улогу PLS елемента, јер његово стање протоновања зависи од оксидационог стања бинуклеарног комплекса (BNC). Ова електростатичка студија примењена је за процену утицаја протеинског окружења на киселост два хистидина. Израчунали смо њихове pKa вредности и раздвојили јачине ефеката различитих енергетских доприноса како бисмо открили природу њиховог различитог понашања у ензиму. Овде смо за нестандардна модел једињења унутар бинуклеарног комплекса користили нови сет са pKa вредностима у воденом раствору. Побољшани резултати су упоређени са резултатима из претходних студија са бацањем акцента на могући механизам пумпања протона. Добиjене микроскопске и макроскопске pKa вредности у оксидованом стању BNC су практично исте, што индицира да депротоновани облик His291 изазива велики пoраст pKa вредности His290, јер оба титрациона места у CuB центру не могу истовремено бити у наелектрисаном стању. Приказани резултати подржавају предложени хистидински (His291) модел протонске пумпе.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Catalytic center of cytochrome c oxidase: Effects of protein environment on pKa values of Cub histidine ligands
T1  - Каталитички центар цитохром оксидазе: утицај протеинског окружења на pka вредности хистидинских лиганада Cub центра
VL  - 85
IS  - 11
SP  - 1429
EP  - 1444
DO  - 10.2298/JSC200720047P
ER  - 

@article{
author = "Popović, Dragan and Đorđević, Ivana",
year = "2020",
abstract = "The molecular mechanism by which electron transfer (ET) is coupled to proton pumping in cytochrome oxidase is one of the main unsolved problems in biochemistry. Particularly, the nature and position of the proton-loading site is under dispute. The CuB complex has three ligated histidines, whereas only His290 and His291 are ionizable sites with the same pKa values in aqueous solution, but apparently quite different ones within the enzyme. Earlier, a model of proton pumping with the central role of His290 was proposed. Recent calculations indicate that the His291 ligand of the CuB center might play the role of the pumping element, since its protonation state depends on the oxidation state of the binuclear complex (BNC). The present electrostatic study was applied to assess the role of the protein environment on the acidity of the two histidines. Their pKa values and effects of different energy terms were evaluated to discover the nature of their diverse behavior in the enzyme. Here, a new set of pKa values for the non-standard model compounds within the BNC was applied. The enhanced results are compared with results of previous studies in the light of the plausible proton pumping mechanism. The obtained microscopic and apparent pKa values in the oxidized state of BNC are virtually the same, indicating that deprotonated form of His291 accounts for the large pKa increase of His290, since then both titratable sites on then CuB center cannot simultaneously be in the charged state. The present results support the underlined His291 pumping model., Молекулски механизам помоћу којег је пренос електрона спрегнут са протонском пумпом у цитохром c оксидази (CcО) представља један од главних нерешених проблема у биохемији. Посебно, природа и положај места везивања протона за пумпање (PLS) су главне тачке спорења. CuB комплекс има три хистидинска лиганда, при чему су само His290 и His291 титратибилни и међусобно слични са истим pKa вредностима у воденом раствору, али су очигледно сасвим различити унутар CcО ензима. Раније је био предложен модел протонске пумпе у CcО са централном улогом His290, али недавни прорачуни наше групе показују да би His291, лиганд CuB центра, могао имати улогу PLS елемента, јер његово стање протоновања зависи од оксидационог стања бинуклеарног комплекса (BNC). Ова електростатичка студија примењена је за процену утицаја протеинског окружења на киселост два хистидина. Израчунали смо њихове pKa вредности и раздвојили јачине ефеката различитих енергетских доприноса како бисмо открили природу њиховог различитог понашања у ензиму. Овде смо за нестандардна модел једињења унутар бинуклеарног комплекса користили нови сет са pKa вредностима у воденом раствору. Побољшани резултати су упоређени са резултатима из претходних студија са бацањем акцента на могући механизам пумпања протона. Добиjене микроскопске и макроскопске pKa вредности у оксидованом стању BNC су практично исте, што индицира да депротоновани облик His291 изазива велики пoраст pKa вредности His290, јер оба титрациона места у CuB центру не могу истовремено бити у наелектрисаном стању. Приказани резултати подржавају предложени хистидински (His291) модел протонске пумпе.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Catalytic center of cytochrome c oxidase: Effects of protein environment on pKa values of Cub histidine ligands, Каталитички центар цитохром оксидазе: утицај протеинског окружења на pka вредности хистидинских лиганада Cub центра",
volume = "85",
number = "11",
pages = "1429-1444",
doi = "10.2298/JSC200720047P"
}

Popović, D.,& Đorđević, I.. (2020). Catalytic center of cytochrome c oxidase: Effects of protein environment on pKa values of Cub histidine ligands. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., 85(11), 1429-1444.
https://doi.org/10.2298/JSC200720047P

Popović D, Đorđević I. Catalytic center of cytochrome c oxidase: Effects of protein environment on pKa values of Cub histidine ligands. in Journal of the Serbian Chemical Society. 2020;85(11):1429-1444.
doi:10.2298/JSC200720047P .

Popović, Dragan, Đorđević, Ivana, "Catalytic center of cytochrome c oxidase: Effects of protein environment on pKa values of Cub histidine ligands" in Journal of the Serbian Chemical Society, 85, no. 11 (2020):1429-1444,
https://doi.org/10.2298/JSC200720047P . .

TY  - JOUR
AU  - Životić, Dragana
AU  - Cvetković, Olga
AU  - Vulić, Predrag J.
AU  - Gržetić, Ivan
AU  - Simić, Vladimir
AU  - Ilijević, Konstantin
AU  - Dojčinović, Biljana
AU  - Erić, Suzana
AU  - Radić, Bogdan
AU  - Stojadinović, Sanja
AU  - Trifunović, Snežana S.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3353
AB  - A geochemical and mineralogical study was performed on lignite samples from the Upper Miocene Kovin deposit, hosting three coal seams. The Kovin lignite is characterized by high moisture content, medium to high ash yield, medium to high sulphur content and a relatively low gross and net calorific value. The mineralogical composition, and major and trace element contents were determined by X-ray diffraction, scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) analyses, and inductively coupled plasma optical emission spectrometry (ICP-OES). The most abundant minerals in all lignite samples from the three coal seams are clays (illite/smectite), silicates (quartz, plagioclase), sulphates (gypsum/anhydrite) and carbonate (calcite). The other iron-rich minerals are sulphides, oxides and hydroxides (pyrite, mag-netite, haematite, and limonite). In general, mineral matter in the matrix coal consists of illite/ smectite and quartz, while xylite-rich coals, apart from illite/smectite, have a higher content of sulphates and Fe-oxide/hydroxide minerals. The lignite from the Kovin deposit is enriched in As, Cd, Co, Cr, Cu, Ga, Li, Mn, Mo, Ni, Pb, V, Zn, Gd, Tb, Er and Lu in comparison with the Clarke values for brown coals. The statistical analysis of bulk compositional data shows inorganic affinity for the majority of the major and trace elements and possible association with pyrite, illite/ smectite and calcite.
PB  - Institut za Geoloska Istrazivanja
T2  - Geologia Croatica
T1  - Distribution of major and trace elements in the Kovin lignite (Serbia)
VL  - 72
IS  - 1
SP  - 51
EP  - 79
DO  - 10.4154/gc.2019.06
ER  - 

@article{
author = "Životić, Dragana and Cvetković, Olga and Vulić, Predrag J. and Gržetić, Ivan and Simić, Vladimir and Ilijević, Konstantin and Dojčinović, Biljana and Erić, Suzana and Radić, Bogdan and Stojadinović, Sanja and Trifunović, Snežana S.",
year = "2019",
abstract = "A geochemical and mineralogical study was performed on lignite samples from the Upper Miocene Kovin deposit, hosting three coal seams. The Kovin lignite is characterized by high moisture content, medium to high ash yield, medium to high sulphur content and a relatively low gross and net calorific value. The mineralogical composition, and major and trace element contents were determined by X-ray diffraction, scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) analyses, and inductively coupled plasma optical emission spectrometry (ICP-OES). The most abundant minerals in all lignite samples from the three coal seams are clays (illite/smectite), silicates (quartz, plagioclase), sulphates (gypsum/anhydrite) and carbonate (calcite). The other iron-rich minerals are sulphides, oxides and hydroxides (pyrite, mag-netite, haematite, and limonite). In general, mineral matter in the matrix coal consists of illite/ smectite and quartz, while xylite-rich coals, apart from illite/smectite, have a higher content of sulphates and Fe-oxide/hydroxide minerals. The lignite from the Kovin deposit is enriched in As, Cd, Co, Cr, Cu, Ga, Li, Mn, Mo, Ni, Pb, V, Zn, Gd, Tb, Er and Lu in comparison with the Clarke values for brown coals. The statistical analysis of bulk compositional data shows inorganic affinity for the majority of the major and trace elements and possible association with pyrite, illite/ smectite and calcite.",
publisher = "Institut za Geoloska Istrazivanja",
journal = "Geologia Croatica",
title = "Distribution of major and trace elements in the Kovin lignite (Serbia)",
volume = "72",
number = "1",
pages = "51-79",
doi = "10.4154/gc.2019.06"
}

Životić, D., Cvetković, O., Vulić, P. J., Gržetić, I., Simić, V., Ilijević, K., Dojčinović, B., Erić, S., Radić, B., Stojadinović, S.,& Trifunović, S. S.. (2019). Distribution of major and trace elements in the Kovin lignite (Serbia). in Geologia Croatica
Institut za Geoloska Istrazivanja., 72(1), 51-79.
https://doi.org/10.4154/gc.2019.06

Životić D, Cvetković O, Vulić PJ, Gržetić I, Simić V, Ilijević K, Dojčinović B, Erić S, Radić B, Stojadinović S, Trifunović SS. Distribution of major and trace elements in the Kovin lignite (Serbia). in Geologia Croatica. 2019;72(1):51-79.
doi:10.4154/gc.2019.06 .

Životić, Dragana, Cvetković, Olga, Vulić, Predrag J., Gržetić, Ivan, Simić, Vladimir, Ilijević, Konstantin, Dojčinović, Biljana, Erić, Suzana, Radić, Bogdan, Stojadinović, Sanja, Trifunović, Snežana S., "Distribution of major and trace elements in the Kovin lignite (Serbia)" in Geologia Croatica, 72, no. 1 (2019):51-79,
https://doi.org/10.4154/gc.2019.06 . .

TY  - JOUR
AU  - Pantelić, Nebojša Đ.
AU  - Zmejkovski, Bojana
AU  - Žižak, Željko
AU  - Banjac, Nebojša R.
AU  - Božić, Bojan
AU  - Stanojković, Tatjana
AU  - Kaluđerović, Goran N.
PY  - 2019
UR  - https://www.hindawi.com/journals/jchem/2019/2905840/
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2639
AB  - A novel triphenyltin(IV) compound with 1-(4-carboxyphenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione was synthesized and characterized by IR, NMR spectroscopy, mass spectrometry, and elemental analysis. In vitro anticancer activity of ligand precursor and synthesized organotin(IV) compound was determined against tumor cell lines: human adenocarcinoma (HeLa), human myelogenous leukemia (K562), and human breast cancer (MDA-MB-453), using microculture tetrazolium test (MTT) assay. The results indicate that complex exhibited very high antiproliferative activity against all tested cell lines with IC 50 values in the range of 0.22 to 0.53 µ M. The highest activity organotin(IV) compound expressed against the HeLa cells (IC 50 = 0.22 ± 0.04 µ M). The ligand precursor did not show anticancer activity (IC 50 > 200 µ M). Furthermore, fluorescence microscopy analysis of HeLa cells reveal that organotin(IV) complex induced apoptosis as a mode of cell death, which is consistent with the increase of cells in the sub-G1 phase.
PB  - Hindawi
T2  - Journal of Chemistry
T2  - Journal of Chemistry
T1  - Design and In Vitro Biological Evaluation of a Novel Organotin(IV) Complex with 1-(4-Carboxyphenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
SP  - 2905840
DO  - 10.1155/2019/2905840
ER  - 

@article{
author = "Pantelić, Nebojša Đ. and Zmejkovski, Bojana and Žižak, Željko and Banjac, Nebojša R. and Božić, Bojan and Stanojković, Tatjana and Kaluđerović, Goran N.",
year = "2019",
abstract = "A novel triphenyltin(IV) compound with 1-(4-carboxyphenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione was synthesized and characterized by IR, NMR spectroscopy, mass spectrometry, and elemental analysis. In vitro anticancer activity of ligand precursor and synthesized organotin(IV) compound was determined against tumor cell lines: human adenocarcinoma (HeLa), human myelogenous leukemia (K562), and human breast cancer (MDA-MB-453), using microculture tetrazolium test (MTT) assay. The results indicate that complex exhibited very high antiproliferative activity against all tested cell lines with IC 50 values in the range of 0.22 to 0.53 µ M. The highest activity organotin(IV) compound expressed against the HeLa cells (IC 50 = 0.22 ± 0.04 µ M). The ligand precursor did not show anticancer activity (IC 50 > 200 µ M). Furthermore, fluorescence microscopy analysis of HeLa cells reveal that organotin(IV) complex induced apoptosis as a mode of cell death, which is consistent with the increase of cells in the sub-G1 phase.",
publisher = "Hindawi",
journal = "Journal of Chemistry, Journal of Chemistry",
title = "Design and In Vitro Biological Evaluation of a Novel Organotin(IV) Complex with 1-(4-Carboxyphenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione",
pages = "2905840",
doi = "10.1155/2019/2905840"
}

Pantelić, N. Đ., Zmejkovski, B., Žižak, Ž., Banjac, N. R., Božić, B., Stanojković, T.,& Kaluđerović, G. N.. (2019). Design and In Vitro Biological Evaluation of a Novel Organotin(IV) Complex with 1-(4-Carboxyphenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione. in Journal of Chemistry
Hindawi., 2905840.
https://doi.org/10.1155/2019/2905840

Pantelić NĐ, Zmejkovski B, Žižak Ž, Banjac NR, Božić B, Stanojković T, Kaluđerović GN. Design and In Vitro Biological Evaluation of a Novel Organotin(IV) Complex with 1-(4-Carboxyphenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione. in Journal of Chemistry. 2019;:2905840.
doi:10.1155/2019/2905840 .

Pantelić, Nebojša Đ., Zmejkovski, Bojana, Žižak, Željko, Banjac, Nebojša R., Božić, Bojan, Stanojković, Tatjana, Kaluđerović, Goran N., "Design and In Vitro Biological Evaluation of a Novel Organotin(IV) Complex with 1-(4-Carboxyphenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione" in Journal of Chemistry (2019):2905840,
https://doi.org/10.1155/2019/2905840 . .

TY  - JOUR
AU  - Pavlović, Marijana
AU  - Nikolić, Stefan
AU  - Gligorijević, Nevenka
AU  - Dojčinović, Biljana
AU  - Aranđelović, Sandra
AU  - Grgurić-Šipka, Sanja
AU  - Radulović, Siniša
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2963
AB  - Three new ruthenium(II)-arene complexes with pyrido[2′,3′:5,6]pyrazino[2,3-f][1, 10]phenanthroline (ppf) of general formula: C1 ([(ƞ 6 -benzene)Ru(ppf)Cl]PF 6 , C2 ([(ƞ 6 -toluene)Ru(ppf)Cl]PF 6 ) and C3 ([(ƞ 6 -p-cymene)Ru(ppf)Cl]PF 6 ) have been synthesized. The structures of complexes were determined by elemental analysis, IR, ESI–MS, as well as with 1 H and 13 C NMR spectroscopy. Cytotoxic activity has been evaluated in three different human neoplastic cell lines (A549, A375, LS 174T) and in one human non-tumor cell line (MRC-5), by the MTT assay. Complexes C1–C3 showed IC 50 values in the micromolar range below 100 µM. Complex C3, carrying ƞ 6 -p-cymene as the arene ligand, exhibited cytoselective activity toward human malignant melanoma A375 cells (IC 50 = 15.8 ± 2.7 µM), and has been selected for further analyses of its biological effects. Drug-accumulation study performed in the A375 cells disclosed that C3 possess lower ability of entering the cells compared to cisplatin and distributes approximately equally in the cytosol and membrane/organelle fraction of cells. Investigations in the 3D model of A375 cells, disclosed different effects of the complex C3 and cisplatin on growth of multicellular tumor spheroids (MCTSs). While the size of cisplatin-treated MCTSs decreased with time, MCTSs treated with C3 continued to growth. Differences in structural organization and biological activity of this type of ruthenium(II)-arene complexes versus cisplatin in A375 malignant melanoma cells pointed out their different modes of action, and necessity for further biological studies and optimizations for potential applications.
PB  - Springer Link
T2  - Journal of Biological Inorganic Chemistry
T1  - New organoruthenium compounds with pyrido[2′,3′:5,6]pyrazino[2,3-f][1, 10]phenanthroline: synthesis, characterization, cytotoxicity, and investigation of mechanism of action
VL  - 24
IS  - 2
SP  - 297
EP  - 310
DO  - 10.1007/s00775-019-01647-4
ER  - 

@article{
author = "Pavlović, Marijana and Nikolić, Stefan and Gligorijević, Nevenka and Dojčinović, Biljana and Aranđelović, Sandra and Grgurić-Šipka, Sanja and Radulović, Siniša",
year = "2019",
abstract = "Three new ruthenium(II)-arene complexes with pyrido[2′,3′:5,6]pyrazino[2,3-f][1, 10]phenanthroline (ppf) of general formula: C1 ([(ƞ 6 -benzene)Ru(ppf)Cl]PF 6 , C2 ([(ƞ 6 -toluene)Ru(ppf)Cl]PF 6 ) and C3 ([(ƞ 6 -p-cymene)Ru(ppf)Cl]PF 6 ) have been synthesized. The structures of complexes were determined by elemental analysis, IR, ESI–MS, as well as with 1 H and 13 C NMR spectroscopy. Cytotoxic activity has been evaluated in three different human neoplastic cell lines (A549, A375, LS 174T) and in one human non-tumor cell line (MRC-5), by the MTT assay. Complexes C1–C3 showed IC 50 values in the micromolar range below 100 µM. Complex C3, carrying ƞ 6 -p-cymene as the arene ligand, exhibited cytoselective activity toward human malignant melanoma A375 cells (IC 50 = 15.8 ± 2.7 µM), and has been selected for further analyses of its biological effects. Drug-accumulation study performed in the A375 cells disclosed that C3 possess lower ability of entering the cells compared to cisplatin and distributes approximately equally in the cytosol and membrane/organelle fraction of cells. Investigations in the 3D model of A375 cells, disclosed different effects of the complex C3 and cisplatin on growth of multicellular tumor spheroids (MCTSs). While the size of cisplatin-treated MCTSs decreased with time, MCTSs treated with C3 continued to growth. Differences in structural organization and biological activity of this type of ruthenium(II)-arene complexes versus cisplatin in A375 malignant melanoma cells pointed out their different modes of action, and necessity for further biological studies and optimizations for potential applications.",
publisher = "Springer Link",
journal = "Journal of Biological Inorganic Chemistry",
title = "New organoruthenium compounds with pyrido[2′,3′:5,6]pyrazino[2,3-f][1, 10]phenanthroline: synthesis, characterization, cytotoxicity, and investigation of mechanism of action",
volume = "24",
number = "2",
pages = "297-310",
doi = "10.1007/s00775-019-01647-4"
}

Pavlović, M., Nikolić, S., Gligorijević, N., Dojčinović, B., Aranđelović, S., Grgurić-Šipka, S.,& Radulović, S.. (2019). New organoruthenium compounds with pyrido[2′,3′:5,6]pyrazino[2,3-f][1, 10]phenanthroline: synthesis, characterization, cytotoxicity, and investigation of mechanism of action. in Journal of Biological Inorganic Chemistry
Springer Link., 24(2), 297-310.
https://doi.org/10.1007/s00775-019-01647-4

Pavlović M, Nikolić S, Gligorijević N, Dojčinović B, Aranđelović S, Grgurić-Šipka S, Radulović S. New organoruthenium compounds with pyrido[2′,3′:5,6]pyrazino[2,3-f][1, 10]phenanthroline: synthesis, characterization, cytotoxicity, and investigation of mechanism of action. in Journal of Biological Inorganic Chemistry. 2019;24(2):297-310.
doi:10.1007/s00775-019-01647-4 .

Pavlović, Marijana, Nikolić, Stefan, Gligorijević, Nevenka, Dojčinović, Biljana, Aranđelović, Sandra, Grgurić-Šipka, Sanja, Radulović, Siniša, "New organoruthenium compounds with pyrido[2′,3′:5,6]pyrazino[2,3-f][1, 10]phenanthroline: synthesis, characterization, cytotoxicity, and investigation of mechanism of action" in Journal of Biological Inorganic Chemistry, 24, no. 2 (2019):297-310,
https://doi.org/10.1007/s00775-019-01647-4 . .

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Shcherbakov, Igor N.
AU  - Duboc, Carole
AU  - Spasojević, Vojislav
AU  - Hanžel, Darko
AU  - Anđelković, Katarina
AU  - Radanović, Dušanka
AU  - Turel, Iztok
AU  - Milenković, Milica R.
AU  - Gruden, Maja
AU  - Čobeljić, Božidar
AU  - Zlatar, Matija
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3269
AB  - Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct types of magnetic anisotropy. Co(II) complexes (1 and 2) show an easy plane anisotropy with large and positive D values and negligible rhombicity. The Ni(II) complex (5) has uniaxial magnetic anisotropy with a negative D value. Fe(III) complexes (3 and 4) have small zero-field splitting (ZFS) parameters. Theoretical modeling is used to rationalize the magnetic anisotropy in these systems and to identify the most important excited states that are responsible for the zero-field splitting. These excitations are a consequence of the electronic structure of the central metal ion in ideal pentagonal bipyramidal coordination.
PB  - American Chemical Society (ACS)
T2  - The Journal of Physical Chemistry C
T1  - Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone
VL  - 123
IS  - 51
SP  - 31142
EP  - 31155
DO  - 10.1021/acs.jpcc.9b08066
ER  - 

@article{
author = "Darmanović, Darinka and Shcherbakov, Igor N. and Duboc, Carole and Spasojević, Vojislav and Hanžel, Darko and Anđelković, Katarina and Radanović, Dušanka and Turel, Iztok and Milenković, Milica R. and Gruden, Maja and Čobeljić, Božidar and Zlatar, Matija",
year = "2019",
abstract = "Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct types of magnetic anisotropy. Co(II) complexes (1 and 2) show an easy plane anisotropy with large and positive D values and negligible rhombicity. The Ni(II) complex (5) has uniaxial magnetic anisotropy with a negative D value. Fe(III) complexes (3 and 4) have small zero-field splitting (ZFS) parameters. Theoretical modeling is used to rationalize the magnetic anisotropy in these systems and to identify the most important excited states that are responsible for the zero-field splitting. These excitations are a consequence of the electronic structure of the central metal ion in ideal pentagonal bipyramidal coordination.",
publisher = "American Chemical Society (ACS)",
journal = "The Journal of Physical Chemistry C",
title = "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone",
volume = "123",
number = "51",
pages = "31142-31155",
doi = "10.1021/acs.jpcc.9b08066"
}

Darmanović, D., Shcherbakov, I. N., Duboc, C., Spasojević, V., Hanžel, D., Anđelković, K., Radanović, D., Turel, I., Milenković, M. R., Gruden, M., Čobeljić, B.,& Zlatar, M.. (2019). Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone. in The Journal of Physical Chemistry C
American Chemical Society (ACS)., 123(51), 31142-31155.
https://doi.org/10.1021/acs.jpcc.9b08066

Darmanović D, Shcherbakov IN, Duboc C, Spasojević V, Hanžel D, Anđelković K, Radanović D, Turel I, Milenković MR, Gruden M, Čobeljić B, Zlatar M. Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone. in The Journal of Physical Chemistry C. 2019;123(51):31142-31155.
doi:10.1021/acs.jpcc.9b08066 .

Darmanović, Darinka, Shcherbakov, Igor N., Duboc, Carole, Spasojević, Vojislav, Hanžel, Darko, Anđelković, Katarina, Radanović, Dušanka, Turel, Iztok, Milenković, Milica R., Gruden, Maja, Čobeljić, Božidar, Zlatar, Matija, "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone" in The Journal of Physical Chemistry C, 123, no. 51 (2019):31142-31155,
https://doi.org/10.1021/acs.jpcc.9b08066 . .

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Shcherbakov, Igor N.
AU  - Duboc, Carole
AU  - Spasojević, Vojislav
AU  - Hanžel, Darko
AU  - Anđelković, Katarina
AU  - Radanović, Dušanka
AU  - Turel, Iztok
AU  - Milenković, Milica R.
AU  - Gruden, Maja
AU  - Čobeljić, Božidar
AU  - Zlatar, Matija
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3314
AB  - Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct types of magnetic anisotropy. Co(II) complexes (1 and 2) show an easy plane anisotropy with large and positive D values and negligible rhombicity. The Ni(II) complex (5) has uniaxial magnetic anisotropy with a negative D value. Fe(III) complexes (3 and 4) have small zero-field splitting (ZFS) parameters. Theoretical modeling is used to rationalize the magnetic anisotropy in these systems and to identify the most important excited states that are responsible for the zero-field splitting. These excitations are a consequence of the electronic structure of the central metal ion in ideal pentagonal bipyramidal coordination.
PB  - American Chemical Society (ACS)
T2  - The Journal of Physical Chemistry C
T1  - Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone
VL  - 123
IS  - 51
SP  - 31142
EP  - 31155
DO  - 10.1021/acs.jpcc.9b08066
ER  - 

@article{
author = "Darmanović, Darinka and Shcherbakov, Igor N. and Duboc, Carole and Spasojević, Vojislav and Hanžel, Darko and Anđelković, Katarina and Radanović, Dušanka and Turel, Iztok and Milenković, Milica R. and Gruden, Maja and Čobeljić, Božidar and Zlatar, Matija",
year = "2019",
abstract = "Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct types of magnetic anisotropy. Co(II) complexes (1 and 2) show an easy plane anisotropy with large and positive D values and negligible rhombicity. The Ni(II) complex (5) has uniaxial magnetic anisotropy with a negative D value. Fe(III) complexes (3 and 4) have small zero-field splitting (ZFS) parameters. Theoretical modeling is used to rationalize the magnetic anisotropy in these systems and to identify the most important excited states that are responsible for the zero-field splitting. These excitations are a consequence of the electronic structure of the central metal ion in ideal pentagonal bipyramidal coordination.",
publisher = "American Chemical Society (ACS)",
journal = "The Journal of Physical Chemistry C",
title = "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone",
volume = "123",
number = "51",
pages = "31142-31155",
doi = "10.1021/acs.jpcc.9b08066"
}

Darmanović, D., Shcherbakov, I. N., Duboc, C., Spasojević, V., Hanžel, D., Anđelković, K., Radanović, D., Turel, I., Milenković, M. R., Gruden, M., Čobeljić, B.,& Zlatar, M.. (2019). Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone. in The Journal of Physical Chemistry C
American Chemical Society (ACS)., 123(51), 31142-31155.
https://doi.org/10.1021/acs.jpcc.9b08066

Darmanović D, Shcherbakov IN, Duboc C, Spasojević V, Hanžel D, Anđelković K, Radanović D, Turel I, Milenković MR, Gruden M, Čobeljić B, Zlatar M. Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone. in The Journal of Physical Chemistry C. 2019;123(51):31142-31155.
doi:10.1021/acs.jpcc.9b08066 .

Darmanović, Darinka, Shcherbakov, Igor N., Duboc, Carole, Spasojević, Vojislav, Hanžel, Darko, Anđelković, Katarina, Radanović, Dušanka, Turel, Iztok, Milenković, Milica R., Gruden, Maja, Čobeljić, Božidar, Zlatar, Matija, "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone" in The Journal of Physical Chemistry C, 123, no. 51 (2019):31142-31155,
https://doi.org/10.1021/acs.jpcc.9b08066 . .

TY  - CONF
AU  - Šuljagić, Marija
AU  - Jeremić, Dejan
AU  - Milenković, Milica R.
AU  - Nikolić, Aleksandar S.
AU  - Anđelković, Ljubica
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3356
AB  - Cobalt-ferrite (CoFe2O4) and starch-coated CoFe2O4 nanoparticles were prepared by themechanochemical method and carefully chosen as adsorbents for Cr(VI) removal fromwastewater. The kinetic study, adsorption isotherms and influence of pH, contact time andinterfering ions were investigated to have deeper insight into adsorbent quality. UV/Visspectroscopy confirmed that the dominant adsorption mechanism is the electrostaticattraction at lower pH values. The study showed there was no significant change inadsorption efficiency for starch-coated nanoparticles. However, starch as a natural andbiocompatible compound can enhance nanoparticles water dispersibility. The advantage ofsuch materials is that saturation time does not exceed 20 minutes. Therefore, the as-preparedand starch-coated CoFe2O4 presents very efficient material for application in the field ofwater remediation.
PB  - Belgrade: Institute of Technical Sciences of SASA
C3  - Program and the Book of abstracts / Eighteenth Young Researchers' Conference Materials Sciences and Engineering, December 4-6, 2019, Belgrade, Serbia
T1  - Mechanochemically synthesized cobalt-ferrite and starch-coated cobalt-ferrite nanoparticles as efficient adsorbents for hexavalent chromium removal
SP  - 70
EP  - 70
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3786
ER  - 

@conference{
author = "Šuljagić, Marija and Jeremić, Dejan and Milenković, Milica R. and Nikolić, Aleksandar S. and Anđelković, Ljubica",
year = "2019",
abstract = "Cobalt-ferrite (CoFe2O4) and starch-coated CoFe2O4 nanoparticles were prepared by themechanochemical method and carefully chosen as adsorbents for Cr(VI) removal fromwastewater. The kinetic study, adsorption isotherms and influence of pH, contact time andinterfering ions were investigated to have deeper insight into adsorbent quality. UV/Visspectroscopy confirmed that the dominant adsorption mechanism is the electrostaticattraction at lower pH values. The study showed there was no significant change inadsorption efficiency for starch-coated nanoparticles. However, starch as a natural andbiocompatible compound can enhance nanoparticles water dispersibility. The advantage ofsuch materials is that saturation time does not exceed 20 minutes. Therefore, the as-preparedand starch-coated CoFe2O4 presents very efficient material for application in the field ofwater remediation.",
publisher = "Belgrade: Institute of Technical Sciences of SASA",
journal = "Program and the Book of abstracts / Eighteenth Young Researchers' Conference Materials Sciences and Engineering, December 4-6, 2019, Belgrade, Serbia",
title = "Mechanochemically synthesized cobalt-ferrite and starch-coated cobalt-ferrite nanoparticles as efficient adsorbents for hexavalent chromium removal",
pages = "70-70",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3786"
}

Šuljagić, M., Jeremić, D., Milenković, M. R., Nikolić, A. S.,& Anđelković, L.. (2019). Mechanochemically synthesized cobalt-ferrite and starch-coated cobalt-ferrite nanoparticles as efficient adsorbents for hexavalent chromium removal. in Program and the Book of abstracts / Eighteenth Young Researchers' Conference Materials Sciences and Engineering, December 4-6, 2019, Belgrade, Serbia
Belgrade: Institute of Technical Sciences of SASA., 70-70.
https://hdl.handle.net/21.15107/rcub_cherry_3786

Šuljagić M, Jeremić D, Milenković MR, Nikolić AS, Anđelković L. Mechanochemically synthesized cobalt-ferrite and starch-coated cobalt-ferrite nanoparticles as efficient adsorbents for hexavalent chromium removal. in Program and the Book of abstracts / Eighteenth Young Researchers' Conference Materials Sciences and Engineering, December 4-6, 2019, Belgrade, Serbia. 2019;:70-70.
https://hdl.handle.net/21.15107/rcub_cherry_3786 .

Šuljagić, Marija, Jeremić, Dejan, Milenković, Milica R., Nikolić, Aleksandar S., Anđelković, Ljubica, "Mechanochemically synthesized cobalt-ferrite and starch-coated cobalt-ferrite nanoparticles as efficient adsorbents for hexavalent chromium removal" in Program and the Book of abstracts / Eighteenth Young Researchers' Conference Materials Sciences and Engineering, December 4-6, 2019, Belgrade, Serbia (2019):70-70,
https://hdl.handle.net/21.15107/rcub_cherry_3786 .

TY  - DATA
AU  - Darmanović, Darinka
AU  - Shcherbakov, Igor N.
AU  - Duboc, Carole
AU  - Spasojević, Vojislav
AU  - Hanžel, Darko
AU  - Anđelković, Katarina
AU  - Radanović, Dušanka
AU  - Turel, Iztok
AU  - Milenković, Milica R.
AU  - Gruden, Maja
AU  - Čobeljić, Božidar
AU  - Zlatar, Matija
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4438
AB  - Comparison of the EPR spectra of 1 and 2 (Figure S1); additional Mössbauer spectra (Figures S2–S5); Kohn–Sham molecular orbitals with dominant metal d character (Figures S6–S8); calculated principal components of the g-tensor (Table S1); calculated J values (Table S2); transition energies and contributions of the excited states to D and E (Tables S3–S6); d-orbital splitting according to AI-LFT (Table S7); composition of the multideterminant wave function of the ground and selected excited states (Table S8).
PB  - American Chemical Society (ACS)
T2  - The Journal of Physical Chemistry C
T1  - Supporting Information for: "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone"
DO  - 10.1021/acs.jpcc.9b08066.s001
ER  - 

@misc{
author = "Darmanović, Darinka and Shcherbakov, Igor N. and Duboc, Carole and Spasojević, Vojislav and Hanžel, Darko and Anđelković, Katarina and Radanović, Dušanka and Turel, Iztok and Milenković, Milica R. and Gruden, Maja and Čobeljić, Božidar and Zlatar, Matija",
year = "2019",
abstract = "Comparison of the EPR spectra of 1 and 2 (Figure S1); additional Mössbauer spectra (Figures S2–S5); Kohn–Sham molecular orbitals with dominant metal d character (Figures S6–S8); calculated principal components of the g-tensor (Table S1); calculated J values (Table S2); transition energies and contributions of the excited states to D and E (Tables S3–S6); d-orbital splitting according to AI-LFT (Table S7); composition of the multideterminant wave function of the ground and selected excited states (Table S8).",
publisher = "American Chemical Society (ACS)",
journal = "The Journal of Physical Chemistry C",
title = "Supporting Information for: "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone"",
doi = "10.1021/acs.jpcc.9b08066.s001"
}

Darmanović, D., Shcherbakov, I. N., Duboc, C., Spasojević, V., Hanžel, D., Anđelković, K., Radanović, D., Turel, I., Milenković, M. R., Gruden, M., Čobeljić, B.,& Zlatar, M.. (2019). Supporting Information for: "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone". in The Journal of Physical Chemistry C
American Chemical Society (ACS)..
https://doi.org/10.1021/acs.jpcc.9b08066.s001

Darmanović D, Shcherbakov IN, Duboc C, Spasojević V, Hanžel D, Anđelković K, Radanović D, Turel I, Milenković MR, Gruden M, Čobeljić B, Zlatar M. Supporting Information for: "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone". in The Journal of Physical Chemistry C. 2019;.
doi:10.1021/acs.jpcc.9b08066.s001 .

Darmanović, Darinka, Shcherbakov, Igor N., Duboc, Carole, Spasojević, Vojislav, Hanžel, Darko, Anđelković, Katarina, Radanović, Dušanka, Turel, Iztok, Milenković, Milica R., Gruden, Maja, Čobeljić, Božidar, Zlatar, Matija, "Supporting Information for: "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone"" in The Journal of Physical Chemistry C (2019),
https://doi.org/10.1021/acs.jpcc.9b08066.s001 . .

TY  - CONF
AU  - Anđelković, Ljubica
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5912
AB  - To investigate the influence of the preparation method on the magnetic properties, cobalt ferrite nanoparticles were carefully designed by five different routes. To control the particle size and enhance dispersibility inan aqueous medium, starch, a natural and biocompatible compound, was used for coating such magnetic powders. The presence of a single-phase spinel structure was confirmed in all cases by X-ray powder diffraction (XRPD). Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analyses indicatedthat the nanostructured particles were uniform in size and shape. According to the Fourier transform IRspectra of the coated samples, additional bands originating from starch appeared, indicating successful functionalization.The magnetic measurements separated samples into two groups. The slight increase of saturation magnetization value for starch-coated samples prepared by co-precipitation, ultrasonically assisted co-precipitation and microwave assisted hydrothermal methods can be explained by the incomplete starch coverage. Moreover, coating procedure could initiate agglomerate breakage, followed by re-ordering of magnetic moments.The magnetic properties and agglomeration effect decreased for starch-functionalized nanomaterials in comparison to their as-prepared analogs, synthesized in mechanochemical and microemulsion manner, giving the courage for their further biomedical and technological applications.
PB  - Belgrade: Serbian Ceramic Society
C3  - Program and The Book of Abstracts, The Eight Serbian Ceramic Society Conference Advanced Ceramics and Application, September 23-25, 2019
T1  - How do preparation method and starch-encapsulation influence the magnetic properties of nanocrystalline cobalt ferrite?
SP  - 34
EP  - 34
UR  - https://hdl.handle.net/21.15107/rcub_cer_5912
ER  - 

@conference{
author = "Anđelković, Ljubica",
year = "2019",
abstract = "To investigate the influence of the preparation method on the magnetic properties, cobalt ferrite nanoparticles were carefully designed by five different routes. To control the particle size and enhance dispersibility inan aqueous medium, starch, a natural and biocompatible compound, was used for coating such magnetic powders. The presence of a single-phase spinel structure was confirmed in all cases by X-ray powder diffraction (XRPD). Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analyses indicatedthat the nanostructured particles were uniform in size and shape. According to the Fourier transform IRspectra of the coated samples, additional bands originating from starch appeared, indicating successful functionalization.The magnetic measurements separated samples into two groups. The slight increase of saturation magnetization value for starch-coated samples prepared by co-precipitation, ultrasonically assisted co-precipitation and microwave assisted hydrothermal methods can be explained by the incomplete starch coverage. Moreover, coating procedure could initiate agglomerate breakage, followed by re-ordering of magnetic moments.The magnetic properties and agglomeration effect decreased for starch-functionalized nanomaterials in comparison to their as-prepared analogs, synthesized in mechanochemical and microemulsion manner, giving the courage for their further biomedical and technological applications.",
publisher = "Belgrade: Serbian Ceramic Society",
journal = "Program and The Book of Abstracts, The Eight Serbian Ceramic Society Conference Advanced Ceramics and Application, September 23-25, 2019",
title = "How do preparation method and starch-encapsulation influence the magnetic properties of nanocrystalline cobalt ferrite?",
pages = "34-34",
url = "https://hdl.handle.net/21.15107/rcub_cer_5912"
}

Anđelković, L.. (2019). How do preparation method and starch-encapsulation influence the magnetic properties of nanocrystalline cobalt ferrite?. in Program and The Book of Abstracts, The Eight Serbian Ceramic Society Conference Advanced Ceramics and Application, September 23-25, 2019
Belgrade: Serbian Ceramic Society., 34-34.
https://hdl.handle.net/21.15107/rcub_cer_5912

Anđelković L. How do preparation method and starch-encapsulation influence the magnetic properties of nanocrystalline cobalt ferrite?. in Program and The Book of Abstracts, The Eight Serbian Ceramic Society Conference Advanced Ceramics and Application, September 23-25, 2019. 2019;:34-34.
https://hdl.handle.net/21.15107/rcub_cer_5912 .

Anđelković, Ljubica, "How do preparation method and starch-encapsulation influence the magnetic properties of nanocrystalline cobalt ferrite?" in Program and The Book of Abstracts, The Eight Serbian Ceramic Society Conference Advanced Ceramics and Application, September 23-25, 2019 (2019):34-34,
https://hdl.handle.net/21.15107/rcub_cer_5912 .

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana
AU  - Milošević, Milena D.
AU  - Simić, Milena R.
AU  - Marinković, Aleksandar D.
AU  - Cvijetić, Ilija
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3037
AB  - Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH∙). The appearance of thiolic –SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.
PB  - Springer
T2  - Structural Chemistry
T1  - Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study
VL  - 30
SP  - 2447
EP  - 2457
DO  - 10.1007/s11224-019-01371-4
ER  - 

@article{
author = "Assaleh, Mohamed H. and Božić, Aleksandra R. and Bjelogrlić, Snežana and Milošević, Milena D. and Simić, Milena R. and Marinković, Aleksandar D. and Cvijetić, Ilija",
year = "2019",
abstract = "Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH∙). The appearance of thiolic –SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.",
publisher = "Springer",
journal = "Structural Chemistry",
title = "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study",
volume = "30",
pages = "2447-2457",
doi = "10.1007/s11224-019-01371-4"
}

Assaleh, M. H., Božić, A. R., Bjelogrlić, S., Milošević, M. D., Simić, M. R., Marinković, A. D.,& Cvijetić, I.. (2019). Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. in Structural Chemistry
Springer., 30, 2447-2457.
https://doi.org/10.1007/s11224-019-01371-4

Assaleh MH, Božić AR, Bjelogrlić S, Milošević MD, Simić MR, Marinković AD, Cvijetić I. Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. in Structural Chemistry. 2019;30:2447-2457.
doi:10.1007/s11224-019-01371-4 .

Assaleh, Mohamed H., Božić, Aleksandra R., Bjelogrlić, Snežana, Milošević, Milena D., Simić, Milena R., Marinković, Aleksandar D., Cvijetić, Ilija, "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study" in Structural Chemistry, 30 (2019):2447-2457,
https://doi.org/10.1007/s11224-019-01371-4 . .

TY  - CONF
AU  - Vlahović, Filip
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Stanković, Dalibor
PY  - 2019
UR  - http://yisac2019.upce.cz/
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3225
AB  - A series of arylazo pyridone dyes was synthesized by changing the type of the substituent
group in the diazo moiety, ranging from strong electron-donating to strong electronwithdrawing
groups. The structural and electronic properties of the investigated dyes was
calculated at the M062X/6-31+G(d,p) level of theory. The observed good linear correlations
between atomic charges and Hammett σp constants provided a basis to discuss the
transmission of electronic substituent effects through a dye framework. The reactivity of
synthesized dyes was tested through their decolorization efficiency in TiO2 photocatalytic
system (Degussa P-25). Quantitative structure-activity relationship analysis revealed a strong
correlation between reactivity of investigated dyes and Hammett substituent constants. The
reaction was facilitated by electron-withdrawing groups, and retarded by electron-donating
ones. Quantum mechanical calculations were used in order to describe the mechanism of the
photocatalytic oxidation reactions of investigated dyes and interpret their reactivity within the
framework of the Density Functional Theory (DFT). According to DFT based reactivity
descriptors, i.e. Fukui functions and local softness, the active site moves from azo nitrogen
atom linked to benzene ring to pyridone carbon atom linked to azo bond, going from dyes
with electron-donating groups to dyes with electron-withdrawing groups
PB  - University of Pardubice
C3  - Book of Abstracts - YISAC 2019 (26th Young Investigators’ Seminar on Analytical Chemistry)
T1  - Exploring anatomy of experiment with DFT: Quantitative structure-activity relationship of Substituted arylazo pyridine dyes in Photocatalytic reaction
SP  - 31
UR  - https://hdl.handle.net/21.15107/rcub_cer_3225
ER  - 

@conference{
author = "Vlahović, Filip and Gruden, Maja and Zlatar, Matija and Stanković, Dalibor",
year = "2019",
abstract = "A series of arylazo pyridone dyes was synthesized by changing the type of the substituent
group in the diazo moiety, ranging from strong electron-donating to strong electronwithdrawing
groups. The structural and electronic properties of the investigated dyes was
calculated at the M062X/6-31+G(d,p) level of theory. The observed good linear correlations
between atomic charges and Hammett σp constants provided a basis to discuss the
transmission of electronic substituent effects through a dye framework. The reactivity of
synthesized dyes was tested through their decolorization efficiency in TiO2 photocatalytic
system (Degussa P-25). Quantitative structure-activity relationship analysis revealed a strong
correlation between reactivity of investigated dyes and Hammett substituent constants. The
reaction was facilitated by electron-withdrawing groups, and retarded by electron-donating
ones. Quantum mechanical calculations were used in order to describe the mechanism of the
photocatalytic oxidation reactions of investigated dyes and interpret their reactivity within the
framework of the Density Functional Theory (DFT). According to DFT based reactivity
descriptors, i.e. Fukui functions and local softness, the active site moves from azo nitrogen
atom linked to benzene ring to pyridone carbon atom linked to azo bond, going from dyes
with electron-donating groups to dyes with electron-withdrawing groups",
publisher = "University of Pardubice",
journal = "Book of Abstracts - YISAC 2019 (26th Young Investigators’ Seminar on Analytical Chemistry)",
title = "Exploring anatomy of experiment with DFT: Quantitative structure-activity relationship of Substituted arylazo pyridine dyes in Photocatalytic reaction",
pages = "31",
url = "https://hdl.handle.net/21.15107/rcub_cer_3225"
}

Vlahović, F., Gruden, M., Zlatar, M.,& Stanković, D.. (2019). Exploring anatomy of experiment with DFT: Quantitative structure-activity relationship of Substituted arylazo pyridine dyes in Photocatalytic reaction. in Book of Abstracts - YISAC 2019 (26th Young Investigators’ Seminar on Analytical Chemistry)
University of Pardubice., 31.
https://hdl.handle.net/21.15107/rcub_cer_3225

Vlahović F, Gruden M, Zlatar M, Stanković D. Exploring anatomy of experiment with DFT: Quantitative structure-activity relationship of Substituted arylazo pyridine dyes in Photocatalytic reaction. in Book of Abstracts - YISAC 2019 (26th Young Investigators’ Seminar on Analytical Chemistry). 2019;:31.
https://hdl.handle.net/21.15107/rcub_cer_3225 .

Vlahović, Filip, Gruden, Maja, Zlatar, Matija, Stanković, Dalibor, "Exploring anatomy of experiment with DFT: Quantitative structure-activity relationship of Substituted arylazo pyridine dyes in Photocatalytic reaction" in Book of Abstracts - YISAC 2019 (26th Young Investigators’ Seminar on Analytical Chemistry) (2019):31,
https://hdl.handle.net/21.15107/rcub_cer_3225 .

TY  - JOUR
AU  - Marković, Olivera
AU  - Pešić, Miloš P.
AU  - Shah, Ankita V.
AU  - Serajuddin, Abu T. M.
AU  - Verbić, Tatjana
AU  - Avdeef, Alex
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3211
AB  - Although solubility-pH data for desipramine hydrochloride (DsHCl) have been reported previously, the aim of the present study was to critically examine the aqueous solubility-pH behavior of DsHCl in buffer-free and buffered solutions, in the presence of physiologically-relevant chloride concentration, using experimental practices recommended in the recently-published “white paper” (Avdeef et al., 2016). The computer program pDISOL-X was used to design the structured experiments (pH-RSF method), to process the data, and to refine the equilibrium constants. Low-to-high and high-to-low pH assays (using HCl, H3PO4, or NaOH to adjust pH) were performed on phosphate-buffered (0.12 0.15 M) saturated solutions of DsHCl in the pH 1.3-11.6 range. After equilibration (stirring 6 h, followed by 18 h stir-free sedimentation), filtration or centrifugation was used for phase separation. Concentration was measured using HPLC with UV/VIS detection. The 2:1 drug-phosphate solubility product (Ksp2:1 = [DsH+]2[HPO42-]) was determined from data in the pH 4-9 region. The free base of desipramine was prepared and used to determine the Ksp1:1 ([DsH+][H2PO4-]) in chloride-free acidified suspension. In addition, phosphate-free titrations were conducted to determine the intrinsic solubility, S0, and the 1:1 drug-chloride solubility product, KspDsH.Cl = [DsH+][Cl-]. Under the assay conditions, only the phosphate-free solutions showed some supersaturation near pHmax 8.0. In phosphate-containing solutions, pHmax was indicated at higher pH (8.8 9.6). Oils mixed with solids were observed to form in alkaline solutions (pH > 11). Notably, soluble drug-phosphate complexes appeared to form below pH 3.9 and above pHmax in saturated phosphate containing saline solutions. This was indicated by the systematic pH shift to higher values in the log S-pH curve in alkaline solution than expected from the Henderson-Hasselbalch equation. For pH < 3.9, saturated phosphate-containing saline solutions exhibited elevated solubility, with drug-hydrochloride as the sole precipitate. Salt solubility products, intrinsic solubility, and complexation constants, which rationalized the data, were determined. Elemental, thermogravimetric (TGA), differential scanning calorimetric (DSC), and powder X-ray diffraction (PXRD) analyses were used to characterize the precipitates isolated from suspensions at different pH.
PB  - Elsevier
T2  - European Journal of Pharmaceutical Sciences
T1  - Solubility-pH profile of desipramine hydrochloride in saline phosphate buffer: Enhanced solubility due to drug-buffer aggregates
VL  - 133
SP  - 264
EP  - 274
DO  - 10.1016/j.ejps.2019.03.014
ER  - 

@article{
author = "Marković, Olivera and Pešić, Miloš P. and Shah, Ankita V. and Serajuddin, Abu T. M. and Verbić, Tatjana and Avdeef, Alex",
year = "2019",
abstract = "Although solubility-pH data for desipramine hydrochloride (DsHCl) have been reported previously, the aim of the present study was to critically examine the aqueous solubility-pH behavior of DsHCl in buffer-free and buffered solutions, in the presence of physiologically-relevant chloride concentration, using experimental practices recommended in the recently-published “white paper” (Avdeef et al., 2016). The computer program pDISOL-X was used to design the structured experiments (pH-RSF method), to process the data, and to refine the equilibrium constants. Low-to-high and high-to-low pH assays (using HCl, H3PO4, or NaOH to adjust pH) were performed on phosphate-buffered (0.12 0.15 M) saturated solutions of DsHCl in the pH 1.3-11.6 range. After equilibration (stirring 6 h, followed by 18 h stir-free sedimentation), filtration or centrifugation was used for phase separation. Concentration was measured using HPLC with UV/VIS detection. The 2:1 drug-phosphate solubility product (Ksp2:1 = [DsH+]2[HPO42-]) was determined from data in the pH 4-9 region. The free base of desipramine was prepared and used to determine the Ksp1:1 ([DsH+][H2PO4-]) in chloride-free acidified suspension. In addition, phosphate-free titrations were conducted to determine the intrinsic solubility, S0, and the 1:1 drug-chloride solubility product, KspDsH.Cl = [DsH+][Cl-]. Under the assay conditions, only the phosphate-free solutions showed some supersaturation near pHmax 8.0. In phosphate-containing solutions, pHmax was indicated at higher pH (8.8 9.6). Oils mixed with solids were observed to form in alkaline solutions (pH > 11). Notably, soluble drug-phosphate complexes appeared to form below pH 3.9 and above pHmax in saturated phosphate containing saline solutions. This was indicated by the systematic pH shift to higher values in the log S-pH curve in alkaline solution than expected from the Henderson-Hasselbalch equation. For pH < 3.9, saturated phosphate-containing saline solutions exhibited elevated solubility, with drug-hydrochloride as the sole precipitate. Salt solubility products, intrinsic solubility, and complexation constants, which rationalized the data, were determined. Elemental, thermogravimetric (TGA), differential scanning calorimetric (DSC), and powder X-ray diffraction (PXRD) analyses were used to characterize the precipitates isolated from suspensions at different pH.",
publisher = "Elsevier",
journal = "European Journal of Pharmaceutical Sciences",
title = "Solubility-pH profile of desipramine hydrochloride in saline phosphate buffer: Enhanced solubility due to drug-buffer aggregates",
volume = "133",
pages = "264-274",
doi = "10.1016/j.ejps.2019.03.014"
}

Marković, O., Pešić, M. P., Shah, A. V., Serajuddin, A. T. M., Verbić, T.,& Avdeef, A.. (2019). Solubility-pH profile of desipramine hydrochloride in saline phosphate buffer: Enhanced solubility due to drug-buffer aggregates. in European Journal of Pharmaceutical Sciences
Elsevier., 133, 264-274.
https://doi.org/10.1016/j.ejps.2019.03.014

Marković O, Pešić MP, Shah AV, Serajuddin ATM, Verbić T, Avdeef A. Solubility-pH profile of desipramine hydrochloride in saline phosphate buffer: Enhanced solubility due to drug-buffer aggregates. in European Journal of Pharmaceutical Sciences. 2019;133:264-274.
doi:10.1016/j.ejps.2019.03.014 .

Marković, Olivera, Pešić, Miloš P., Shah, Ankita V., Serajuddin, Abu T. M., Verbić, Tatjana, Avdeef, Alex, "Solubility-pH profile of desipramine hydrochloride in saline phosphate buffer: Enhanced solubility due to drug-buffer aggregates" in European Journal of Pharmaceutical Sciences, 133 (2019):264-274,
https://doi.org/10.1016/j.ejps.2019.03.014 . .