TY  - JOUR
AU  - Ugrinović, Vukašin
AU  - Panić, Vesna
AU  - Spasojević, Pavle
AU  - Šešlija, Sanja
AU  - Božić, Bojan
AU  - Petrović, Rada
AU  - Janaćković, Đorđe
AU  - Veljović, Đorđe
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5243
AB  - Hydrogels are promising materials for biomedical applications due to highly hydrated, porous, permeable structure with possibility to accommodate living cells, drugs, or bioactive factors. In this paper, we reported poly(methacrylic acid) (PMAA)/gelatin IPN hydrogels, synthesized by free-radical polymerization, with adjustable mechanical, structural, physicochemical, and biological characteristics. The influence of methacrylic acid (MAA), gelatin, and cross-linker in the precursor solution on hydrogels properties was investigated. The increasing concentration of MAA, gelatin, and cross-linker led to better mechanical properties, lower porosity, and water content. The compressive mechanical properties of hydrogels were significantly better in comparison to a single-network PMAA hydrogel, while the obtained compressive strength values up to 16 MPa were comparable with tough hydrogels. The increasing concentration of MAA and cross-linker reduced fatigue resistance and degradability, while the increase in gelatin content acted in the opposite way. Swelling tests in different pH conditions demonstrated strong pH-sensibility of the hydrogels, which was more pronounced as MAA concentration was higher, and gelatin and cross-linker concentrations were lower. In addition, the hydrogels strongly promoted the proliferation of human periodontal ligament stem cells and MRC-5 cells as assayed by MTT assay.
PB  - Wiley
T2  - Polymer Engineering and Science
T1  - Strong and tough, pH sensible, interpenetrating network hydrogels based on gelatin and poly(methacrylic acid)
VL  - 62
SP  - 622
EP  - 636
DO  - 10.1002/pen.25870
ER  - 

@article{
author = "Ugrinović, Vukašin and Panić, Vesna and Spasojević, Pavle and Šešlija, Sanja and Božić, Bojan and Petrović, Rada and Janaćković, Đorđe and Veljović, Đorđe",
year = "2022",
abstract = "Hydrogels are promising materials for biomedical applications due to highly hydrated, porous, permeable structure with possibility to accommodate living cells, drugs, or bioactive factors. In this paper, we reported poly(methacrylic acid) (PMAA)/gelatin IPN hydrogels, synthesized by free-radical polymerization, with adjustable mechanical, structural, physicochemical, and biological characteristics. The influence of methacrylic acid (MAA), gelatin, and cross-linker in the precursor solution on hydrogels properties was investigated. The increasing concentration of MAA, gelatin, and cross-linker led to better mechanical properties, lower porosity, and water content. The compressive mechanical properties of hydrogels were significantly better in comparison to a single-network PMAA hydrogel, while the obtained compressive strength values up to 16 MPa were comparable with tough hydrogels. The increasing concentration of MAA and cross-linker reduced fatigue resistance and degradability, while the increase in gelatin content acted in the opposite way. Swelling tests in different pH conditions demonstrated strong pH-sensibility of the hydrogels, which was more pronounced as MAA concentration was higher, and gelatin and cross-linker concentrations were lower. In addition, the hydrogels strongly promoted the proliferation of human periodontal ligament stem cells and MRC-5 cells as assayed by MTT assay.",
publisher = "Wiley",
journal = "Polymer Engineering and Science",
title = "Strong and tough, pH sensible, interpenetrating network hydrogels based on gelatin and poly(methacrylic acid)",
volume = "62",
pages = "622-636",
doi = "10.1002/pen.25870"
}

Ugrinović, V., Panić, V., Spasojević, P., Šešlija, S., Božić, B., Petrović, R., Janaćković, Đ.,& Veljović, Đ.. (2022). Strong and tough, pH sensible, interpenetrating network hydrogels based on gelatin and poly(methacrylic acid). in Polymer Engineering and Science
Wiley., 62, 622-636.
https://doi.org/10.1002/pen.25870

Ugrinović V, Panić V, Spasojević P, Šešlija S, Božić B, Petrović R, Janaćković Đ, Veljović Đ. Strong and tough, pH sensible, interpenetrating network hydrogels based on gelatin and poly(methacrylic acid). in Polymer Engineering and Science. 2022;62:622-636.
doi:10.1002/pen.25870 .

Ugrinović, Vukašin, Panić, Vesna, Spasojević, Pavle, Šešlija, Sanja, Božić, Bojan, Petrović, Rada, Janaćković, Đorđe, Veljović, Đorđe, "Strong and tough, pH sensible, interpenetrating network hydrogels based on gelatin and poly(methacrylic acid)" in Polymer Engineering and Science, 62 (2022):622-636,
https://doi.org/10.1002/pen.25870 . .

TY  - CONF
AU  - Stevanović, Kristina
AU  - Maksimović, Jelena
AU  - Božić, Bojan
AU  - Pagnacco, Maja
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6967
AB  - In this work, properties of Briggs-Rauscher (BR) oscillatory reaction in a presence of acetone, as a non-polar solvent, were investigated. The BR reaction itself is oxidation of malonic acid (CH2(COOH)2) using a mixture of hydrogen peroxide (H202) and potassium iodate (KI03), catalyzed by metal ion (usually Mn2+) in an acidic aqueous solution. It is well-known that BR reaction, as a sensitive matrix, can be used for different analyte properties examination: concentration, antioxidant/antiradical and catalytic activity. As noted, BR reaction occurs in a water medium and therefore the application of these assays is limited to water-soluble samples. Here, the BR reaction is carried out in aceton-water mixture (20 vol%) with the aim to investigate how this non-polar solvent affects the course of the reaction. The influence of solvent can reflect complex phenomena involving many different intermolecular interactions, potentially affecting oscillatory dynamics. Obtained results could be used in a kinetics investigation of the BR reaction and the oscillatory reactions in general.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists’ Club
C3  - 8th Conference of Young Chemists of Serbia, Book of Abstracts, 29 October 2022, Belgrade, Serbia
T1  - Aceton effects on Briggs-Rauscher oscillatory reaction
SP  - 128
EP  - 128
UR  - https://hdl.handle.net/21.15107/rcub_cer_6967
ER  - 

@conference{
author = "Stevanović, Kristina and Maksimović, Jelena and Božić, Bojan and Pagnacco, Maja",
year = "2022",
abstract = "In this work, properties of Briggs-Rauscher (BR) oscillatory reaction in a presence of acetone, as a non-polar solvent, were investigated. The BR reaction itself is oxidation of malonic acid (CH2(COOH)2) using a mixture of hydrogen peroxide (H202) and potassium iodate (KI03), catalyzed by metal ion (usually Mn2+) in an acidic aqueous solution. It is well-known that BR reaction, as a sensitive matrix, can be used for different analyte properties examination: concentration, antioxidant/antiradical and catalytic activity. As noted, BR reaction occurs in a water medium and therefore the application of these assays is limited to water-soluble samples. Here, the BR reaction is carried out in aceton-water mixture (20 vol%) with the aim to investigate how this non-polar solvent affects the course of the reaction. The influence of solvent can reflect complex phenomena involving many different intermolecular interactions, potentially affecting oscillatory dynamics. Obtained results could be used in a kinetics investigation of the BR reaction and the oscillatory reactions in general.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists’ Club",
journal = "8th Conference of Young Chemists of Serbia, Book of Abstracts, 29 October 2022, Belgrade, Serbia",
title = "Aceton effects on Briggs-Rauscher oscillatory reaction",
pages = "128-128",
url = "https://hdl.handle.net/21.15107/rcub_cer_6967"
}

Stevanović, K., Maksimović, J., Božić, B.,& Pagnacco, M.. (2022). Aceton effects on Briggs-Rauscher oscillatory reaction. in 8th Conference of Young Chemists of Serbia, Book of Abstracts, 29 October 2022, Belgrade, Serbia
Belgrade : Serbian Chemical Society., 128-128.
https://hdl.handle.net/21.15107/rcub_cer_6967

Stevanović K, Maksimović J, Božić B, Pagnacco M. Aceton effects on Briggs-Rauscher oscillatory reaction. in 8th Conference of Young Chemists of Serbia, Book of Abstracts, 29 October 2022, Belgrade, Serbia. 2022;:128-128.
https://hdl.handle.net/21.15107/rcub_cer_6967 .

Stevanović, Kristina, Maksimović, Jelena, Božić, Bojan, Pagnacco, Maja, "Aceton effects on Briggs-Rauscher oscillatory reaction" in 8th Conference of Young Chemists of Serbia, Book of Abstracts, 29 October 2022, Belgrade, Serbia (2022):128-128,
https://hdl.handle.net/21.15107/rcub_cer_6967 .

TY  - JOUR
AU  - Lađarević, Jelena
AU  - Božić, Bojan
AU  - Vitnik, Vesna
AU  - Matović, Luka
AU  - Mijin, Dušan
AU  - Vitnik, Željko
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5277
AB  - In order to improve the performance of theoretical UV–Vis spectra predictions, a theoretical and experimental study of solvatochromic properties of ten azo pyridone dyes has been performed. For quantitative estimation of intermolecular solvent–solute interactions, a concept of the linear solvation energy relationships has been applied using Kamlet-Taft and Catalán models. Theoretical UV–Vis spectra for all dyes have been calculated using four TD-DFT methods in nine different solvents with the aim to define the most reliable model. Finally, new polylinear equations for more accurate theoretical prediction of UV–Vis maxima are developed using empirical Kamlet-Taft and Catalán solvent parameters as additive corrections for specific and nonspecific solvent–solute interactions.
PB  - Elsevier
T2  - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
T1  - Improvement of theoretical UV–Vis spectra calculations by empirical solvatochromic parameters: Case study of 5-arylazo-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones
VL  - 272
SP  - 120978
DO  - 10.1016/j.saa.2022.120978
ER  - 

@article{
author = "Lađarević, Jelena and Božić, Bojan and Vitnik, Vesna and Matović, Luka and Mijin, Dušan and Vitnik, Željko",
year = "2022",
abstract = "In order to improve the performance of theoretical UV–Vis spectra predictions, a theoretical and experimental study of solvatochromic properties of ten azo pyridone dyes has been performed. For quantitative estimation of intermolecular solvent–solute interactions, a concept of the linear solvation energy relationships has been applied using Kamlet-Taft and Catalán models. Theoretical UV–Vis spectra for all dyes have been calculated using four TD-DFT methods in nine different solvents with the aim to define the most reliable model. Finally, new polylinear equations for more accurate theoretical prediction of UV–Vis maxima are developed using empirical Kamlet-Taft and Catalán solvent parameters as additive corrections for specific and nonspecific solvent–solute interactions.",
publisher = "Elsevier",
journal = "Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy",
title = "Improvement of theoretical UV–Vis spectra calculations by empirical solvatochromic parameters: Case study of 5-arylazo-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones",
volume = "272",
pages = "120978",
doi = "10.1016/j.saa.2022.120978"
}

Lađarević, J., Božić, B., Vitnik, V., Matović, L., Mijin, D.,& Vitnik, Ž.. (2022). Improvement of theoretical UV–Vis spectra calculations by empirical solvatochromic parameters: Case study of 5-arylazo-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones. in Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Elsevier., 272, 120978.
https://doi.org/10.1016/j.saa.2022.120978

Lađarević J, Božić B, Vitnik V, Matović L, Mijin D, Vitnik Ž. Improvement of theoretical UV–Vis spectra calculations by empirical solvatochromic parameters: Case study of 5-arylazo-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones. in Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2022;272:120978.
doi:10.1016/j.saa.2022.120978 .

Lađarević, Jelena, Božić, Bojan, Vitnik, Vesna, Matović, Luka, Mijin, Dušan, Vitnik, Željko, "Improvement of theoretical UV–Vis spectra calculations by empirical solvatochromic parameters: Case study of 5-arylazo-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones" in Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 272 (2022):120978,
https://doi.org/10.1016/j.saa.2022.120978 . .

TY  - JOUR
AU  - Pantelić, Nebojša Đ.
AU  - Božić, Bojan
AU  - Zmejkovski, Bojana
AU  - Banjac, Nebojša R.
AU  - Dojčinović, Biljana
AU  - Wessjohann, Ludger A.
AU  - Kaluđerović, Goran N.
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4725
AB  - The synthesis of novel triphenyltin(IV) compounds, Ph3SnLn (n = 1–3), with oxaprozin (3-(4,5-diphenyloxazol-2-yl)propanoic acid), HL1, and the new propanoic acid derivatives 3-(4,5bis(4-methoxylphenyl)oxazol-2-yl)propanoic acid, HL2, and 3-(2,5-dioxo-4,4-diphenylimidazolidin1-yl)propanoic acid, HL3, has been performed. The ligands represent commercial drugs or their derivatives and the tin complexes have been characterized by standard analytical methods. The in vitro antiproliferative activity of both ligands and organotin(IV) compounds has been evaluated on the following tumour cell lines: human prostate cancer (PC-3), human colorectal adenocarcinoma (HT29), breast cancer (MCF-7), and hepatocellular cancer (HepG2), as well as on normal mouse embryonic fibroblast cells (NIH3T3) with the aid of MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-12 diphenyltetrazolium bromide) and CV (crystal violet) assays. Contrary to the inactive ligand precursors, all organotin(IV) carboxylates showed very good activity with IC50 values ranging from 0.100 to 0.758 µM. According to the CV assay (IC50 = 0.218 ± 0.025 µM), complex Ph3SnL1 demonstrated the highest cytotoxicity against the caspase 3 deficient MCF-7 cell line. Inductively coupled plasma mass spectrometry (ICP-MS) analysis indicated a two-fold lower concentration of tin in MCF-7 cells in comparison to platinum. To investigate the mechanism of action of the compound Ph3SnL1 on MCF-7 cells, morphological, autophagy and cell cycle analysis, as well as the activation of caspase and ROS/RNS and NO production, has been performed. Results suggest that Ph3SnL1 induces caspase-independent apoptosis in MCF-7 cells.
PB  - MDPI
T2  - Molecules
T1  - In vitro evaluation of antiproliferative properties of novel organotin(IV) carboxylate compounds with propanoic acid derivatives on a panel of human cancer cell lines
VL  - 26
IS  - 11
SP  - 3199
DO  - 10.3390/molecules26113199
ER  - 

@article{
author = "Pantelić, Nebojša Đ. and Božić, Bojan and Zmejkovski, Bojana and Banjac, Nebojša R. and Dojčinović, Biljana and Wessjohann, Ludger A. and Kaluđerović, Goran N.",
year = "2021",
abstract = "The synthesis of novel triphenyltin(IV) compounds, Ph3SnLn (n = 1–3), with oxaprozin (3-(4,5-diphenyloxazol-2-yl)propanoic acid), HL1, and the new propanoic acid derivatives 3-(4,5bis(4-methoxylphenyl)oxazol-2-yl)propanoic acid, HL2, and 3-(2,5-dioxo-4,4-diphenylimidazolidin1-yl)propanoic acid, HL3, has been performed. The ligands represent commercial drugs or their derivatives and the tin complexes have been characterized by standard analytical methods. The in vitro antiproliferative activity of both ligands and organotin(IV) compounds has been evaluated on the following tumour cell lines: human prostate cancer (PC-3), human colorectal adenocarcinoma (HT29), breast cancer (MCF-7), and hepatocellular cancer (HepG2), as well as on normal mouse embryonic fibroblast cells (NIH3T3) with the aid of MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-12 diphenyltetrazolium bromide) and CV (crystal violet) assays. Contrary to the inactive ligand precursors, all organotin(IV) carboxylates showed very good activity with IC50 values ranging from 0.100 to 0.758 µM. According to the CV assay (IC50 = 0.218 ± 0.025 µM), complex Ph3SnL1 demonstrated the highest cytotoxicity against the caspase 3 deficient MCF-7 cell line. Inductively coupled plasma mass spectrometry (ICP-MS) analysis indicated a two-fold lower concentration of tin in MCF-7 cells in comparison to platinum. To investigate the mechanism of action of the compound Ph3SnL1 on MCF-7 cells, morphological, autophagy and cell cycle analysis, as well as the activation of caspase and ROS/RNS and NO production, has been performed. Results suggest that Ph3SnL1 induces caspase-independent apoptosis in MCF-7 cells.",
publisher = "MDPI",
journal = "Molecules",
title = "In vitro evaluation of antiproliferative properties of novel organotin(IV) carboxylate compounds with propanoic acid derivatives on a panel of human cancer cell lines",
volume = "26",
number = "11",
pages = "3199",
doi = "10.3390/molecules26113199"
}

Pantelić, N. Đ., Božić, B., Zmejkovski, B., Banjac, N. R., Dojčinović, B., Wessjohann, L. A.,& Kaluđerović, G. N.. (2021). In vitro evaluation of antiproliferative properties of novel organotin(IV) carboxylate compounds with propanoic acid derivatives on a panel of human cancer cell lines. in Molecules
MDPI., 26(11), 3199.
https://doi.org/10.3390/molecules26113199

Pantelić NĐ, Božić B, Zmejkovski B, Banjac NR, Dojčinović B, Wessjohann LA, Kaluđerović GN. In vitro evaluation of antiproliferative properties of novel organotin(IV) carboxylate compounds with propanoic acid derivatives on a panel of human cancer cell lines. in Molecules. 2021;26(11):3199.
doi:10.3390/molecules26113199 .

Pantelić, Nebojša Đ., Božić, Bojan, Zmejkovski, Bojana, Banjac, Nebojša R., Dojčinović, Biljana, Wessjohann, Ludger A., Kaluđerović, Goran N., "In vitro evaluation of antiproliferative properties of novel organotin(IV) carboxylate compounds with propanoic acid derivatives on a panel of human cancer cell lines" in Molecules, 26, no. 11 (2021):3199,
https://doi.org/10.3390/molecules26113199 . .

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  - 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  - 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  - Lović, Jelena
AU  - Avramov Ivić, Milka
AU  - Božić, Bojan
AU  - Lađarević, Jelena
AU  - Mijin, Dušan
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2874
AB  - The inclusion complexes of the selected, potentially biologically active, succinimides with β-cyclodextrin (βCD) and
(2-hydroxypropyl)-β-cyclodextrin (HPβCD) were prepared. the formation of the inclusion complexes of the investigated
monophenyl and diphenyl succinimide derivatives was confirmed using attenuated total reflection (ATR) study. Their
electrochemical behavior was examined by cyclic voltammetry (CV) and square wave voltammetry (SWV) in 0.05 M
NaHCO3 on a gold electrode. The stability constants for compound 1 were determined by cyclic voltammetry and calculated
as KβCD = 350.87 M–1 and KHPβCD = 250.67 M–1. The SWV measurements reveal well defined peak at potential Ep =
~ 60 mV and the higher currents at Ep for both inclusion complex of the succinimides compared to the free compounds.
The impact of chlorine atom in the phenyl moiety of succinimide derivatives on the activity in electrooxidation reaction
is presented. Among the studied succinimides, according to SWV measurements, the most active is the monophenyl
succinimide derivative (compound 1) in complex with βCD. The difference of peak current of compound 1 + βCD compared
to compound 1 + HPβCD and free compound is 6.3 and 35.2 μA cm–2, respectively.
PB  - Ljubljana : Slovenian Chemical Society
T2  - Acta Chimica Slovenica
T1  - Voltammetric Investigation of Inclusion Complexes of the Selected Succinimides with β-Cyclodextrin and (2-Hydroxypropyl)-β-Cyclodextrin
VL  - 66
SP  - 182
EP  - 189
DO  - 10.17344/acsi.2018.4767
ER  - 

@article{
author = "Lović, Jelena and Avramov Ivić, Milka and Božić, Bojan and Lađarević, Jelena and Mijin, Dušan",
year = "2019",
abstract = "The inclusion complexes of the selected, potentially biologically active, succinimides with β-cyclodextrin (βCD) and
(2-hydroxypropyl)-β-cyclodextrin (HPβCD) were prepared. the formation of the inclusion complexes of the investigated
monophenyl and diphenyl succinimide derivatives was confirmed using attenuated total reflection (ATR) study. Their
electrochemical behavior was examined by cyclic voltammetry (CV) and square wave voltammetry (SWV) in 0.05 M
NaHCO3 on a gold electrode. The stability constants for compound 1 were determined by cyclic voltammetry and calculated
as KβCD = 350.87 M–1 and KHPβCD = 250.67 M–1. The SWV measurements reveal well defined peak at potential Ep =
~ 60 mV and the higher currents at Ep for both inclusion complex of the succinimides compared to the free compounds.
The impact of chlorine atom in the phenyl moiety of succinimide derivatives on the activity in electrooxidation reaction
is presented. Among the studied succinimides, according to SWV measurements, the most active is the monophenyl
succinimide derivative (compound 1) in complex with βCD. The difference of peak current of compound 1 + βCD compared
to compound 1 + HPβCD and free compound is 6.3 and 35.2 μA cm–2, respectively.",
publisher = "Ljubljana : Slovenian Chemical Society",
journal = "Acta Chimica Slovenica",
title = "Voltammetric Investigation of Inclusion Complexes of the Selected Succinimides with β-Cyclodextrin and (2-Hydroxypropyl)-β-Cyclodextrin",
volume = "66",
pages = "182-189",
doi = "10.17344/acsi.2018.4767"
}

Lović, J., Avramov Ivić, M., Božić, B., Lađarević, J.,& Mijin, D.. (2019). Voltammetric Investigation of Inclusion Complexes of the Selected Succinimides with β-Cyclodextrin and (2-Hydroxypropyl)-β-Cyclodextrin. in Acta Chimica Slovenica
Ljubljana : Slovenian Chemical Society., 66, 182-189.
https://doi.org/10.17344/acsi.2018.4767

Lović J, Avramov Ivić M, Božić B, Lađarević J, Mijin D. Voltammetric Investigation of Inclusion Complexes of the Selected Succinimides with β-Cyclodextrin and (2-Hydroxypropyl)-β-Cyclodextrin. in Acta Chimica Slovenica. 2019;66:182-189.
doi:10.17344/acsi.2018.4767 .

Lović, Jelena, Avramov Ivić, Milka, Božić, Bojan, Lađarević, Jelena, Mijin, Dušan, "Voltammetric Investigation of Inclusion Complexes of the Selected Succinimides with β-Cyclodextrin and (2-Hydroxypropyl)-β-Cyclodextrin" in Acta Chimica Slovenica, 66 (2019):182-189,
https://doi.org/10.17344/acsi.2018.4767 . .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Radovanović, Lidija D.
AU  - Božić, Bojan
AU  - Božić, Nedeljković B.
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Rogan, Jelena R.
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana
AU  - Trišović, Nemanja
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2489
AB  - Two series of cycloalkanespiro-5-hydantoins, namely cyclohexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized and their effects on proliferation of human colon (HCT-116), leukemia (K562) and breast (MDA-MB-231) cancer cell lines were tested. For comparison, we also described the 5,5-diphenylhydantoin analogues. The structural features of the investigated compounds were characterized by elemental analysis, FT-IR, UV–Vis, 1H and 13C NMR spectroscopy and X-ray crystallography. Regarding their structure–activity relationships, it was shown that the substitution on the benzyl moiety with the methoxy, chloro or bromo group potentiated the antiproliferative activity relative to the parent compounds, while an increase in the size of the cycloalkyl group resulted mostly in a decrease of the antiproliferative activity. The single crystal X-ray analysis revealed the existence of dimers and chains formed by the N–H⋯O hydrogen bonds. The analysis of the molecular descriptors of Lipinski demonstrated that all investigated compounds obeyed the rule of five. To further understand their geometry and electronic structure, DFT calculations with B3LYP method using 6-311++G(d,p) basic set were performed. In this context, the UV–Vis spectra of the investigated compounds were analyzed in detail, whereby the predicted absorption spectra from DFT calculation matched the experimentally obtained ones, with a good correlation. The interesting physico-chemical and pharmacologically relevant properties of the investigated compounds warrant their further investigation.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety
VL  - 1180
SP  - 48
EP  - 62
DO  - 10.1016/j.molstruc.2018.11.071
ER  - 

@article{
author = "Lazić, Anita M. and Radovanović, Lidija D. and Božić, Bojan and Božić, Nedeljković B. and Vitnik, Vesna and Vitnik, Željko and Rogan, Jelena R. and Valentić, Nataša V. and Ušćumlić, Gordana and Trišović, Nemanja",
year = "2019",
abstract = "Two series of cycloalkanespiro-5-hydantoins, namely cyclohexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized and their effects on proliferation of human colon (HCT-116), leukemia (K562) and breast (MDA-MB-231) cancer cell lines were tested. For comparison, we also described the 5,5-diphenylhydantoin analogues. The structural features of the investigated compounds were characterized by elemental analysis, FT-IR, UV–Vis, 1H and 13C NMR spectroscopy and X-ray crystallography. Regarding their structure–activity relationships, it was shown that the substitution on the benzyl moiety with the methoxy, chloro or bromo group potentiated the antiproliferative activity relative to the parent compounds, while an increase in the size of the cycloalkyl group resulted mostly in a decrease of the antiproliferative activity. The single crystal X-ray analysis revealed the existence of dimers and chains formed by the N–H⋯O hydrogen bonds. The analysis of the molecular descriptors of Lipinski demonstrated that all investigated compounds obeyed the rule of five. To further understand their geometry and electronic structure, DFT calculations with B3LYP method using 6-311++G(d,p) basic set were performed. In this context, the UV–Vis spectra of the investigated compounds were analyzed in detail, whereby the predicted absorption spectra from DFT calculation matched the experimentally obtained ones, with a good correlation. The interesting physico-chemical and pharmacologically relevant properties of the investigated compounds warrant their further investigation.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety",
volume = "1180",
pages = "48-62",
doi = "10.1016/j.molstruc.2018.11.071"
}

Lazić, A. M., Radovanović, L. D., Božić, B., Božić, N. B., Vitnik, V., Vitnik, Ž., Rogan, J. R., Valentić, N. V., Ušćumlić, G.,& Trišović, N.. (2019). Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety. in Journal of Molecular Structure
Elsevier., 1180, 48-62.
https://doi.org/10.1016/j.molstruc.2018.11.071

Lazić AM, Radovanović LD, Božić B, Božić NB, Vitnik V, Vitnik Ž, Rogan JR, Valentić NV, Ušćumlić G, Trišović N. Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety. in Journal of Molecular Structure. 2019;1180:48-62.
doi:10.1016/j.molstruc.2018.11.071 .

Lazić, Anita M., Radovanović, Lidija D., Božić, Bojan, Božić, Nedeljković B., Vitnik, Vesna, Vitnik, Željko, Rogan, Jelena R., Valentić, Nataša V., Ušćumlić, Gordana, Trišović, Nemanja, "Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety" in Journal of Molecular Structure, 1180 (2019):48-62,
https://doi.org/10.1016/j.molstruc.2018.11.071 . .

TY  - JOUR
AU  - Cvetković, J.P.
AU  - Božić, Bojan
AU  - Banjac, Nebojša R.
AU  - Petrović, J.
AU  - Soković, Marina
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Ušćumlić, Gordana
AU  - Valentić, Nataša V.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2494
AB  - In the present study, twelve new 1-aryl-3-ethyl-3-methylpyrrolidine-2,5-diones were synthesized and their structures were characterized by FT-IR, 1H NMR, 13C NMR spectroscopy and elemental analysis. In the final step of synthetic rout, condensation between corresponding succinic acid and substituted anilines has been improved using the microwave irradiation. Significantly higher yields compared to conventional condensation have been observed. The preliminary biological results indicated that some of the synthesized compounds showed promising in vitro antifungal activities towards several test fungi. 1-(4-Bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8) exhibited significant in vitro inhibitory activities against broad spectra of fungus, and on the basis of obtained data, the investigated bromo derivative has to be observed as novel potential fungicide. The density functional theory (DFT) calculations have been performed in order to study the structure-activity relationship (SAR) of the investigated molecules. In order to prediction of the chemical activity of the molecule, the molecular electrostatic potential (MEP) map was analyzed for the optimized geometry of 1-phenyl-3-ethyl-3-methylpyrrolidine-2,5-dione (4) and 1-(4-bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8).
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives
VL  - 1181
SP  - 148
EP  - 156
DO  - 10.1016/j.molstruc.2018.12.083
ER  - 

@article{
author = "Cvetković, J.P. and Božić, Bojan and Banjac, Nebojša R. and Petrović, J. and Soković, Marina and Vitnik, Vesna and Vitnik, Željko and Ušćumlić, Gordana and Valentić, Nataša V.",
year = "2019",
abstract = "In the present study, twelve new 1-aryl-3-ethyl-3-methylpyrrolidine-2,5-diones were synthesized and their structures were characterized by FT-IR, 1H NMR, 13C NMR spectroscopy and elemental analysis. In the final step of synthetic rout, condensation between corresponding succinic acid and substituted anilines has been improved using the microwave irradiation. Significantly higher yields compared to conventional condensation have been observed. The preliminary biological results indicated that some of the synthesized compounds showed promising in vitro antifungal activities towards several test fungi. 1-(4-Bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8) exhibited significant in vitro inhibitory activities against broad spectra of fungus, and on the basis of obtained data, the investigated bromo derivative has to be observed as novel potential fungicide. The density functional theory (DFT) calculations have been performed in order to study the structure-activity relationship (SAR) of the investigated molecules. In order to prediction of the chemical activity of the molecule, the molecular electrostatic potential (MEP) map was analyzed for the optimized geometry of 1-phenyl-3-ethyl-3-methylpyrrolidine-2,5-dione (4) and 1-(4-bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8).",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives",
volume = "1181",
pages = "148-156",
doi = "10.1016/j.molstruc.2018.12.083"
}

Cvetković, J.P., Božić, B., Banjac, N. R., Petrović, J., Soković, M., Vitnik, V., Vitnik, Ž., Ušćumlić, G.,& Valentić, N. V.. (2019). Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives. in Journal of Molecular Structure
Elsevier., 1181, 148-156.
https://doi.org/10.1016/j.molstruc.2018.12.083

Cvetković J, Božić B, Banjac NR, Petrović J, Soković M, Vitnik V, Vitnik Ž, Ušćumlić G, Valentić NV. Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives. in Journal of Molecular Structure. 2019;1181:148-156.
doi:10.1016/j.molstruc.2018.12.083 .

Cvetković, J.P., Božić, Bojan, Banjac, Nebojša R., Petrović, J., Soković, Marina, Vitnik, Vesna, Vitnik, Željko, Ušćumlić, Gordana, Valentić, Nataša V., "Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives" in Journal of Molecular Structure, 1181 (2019):148-156,
https://doi.org/10.1016/j.molstruc.2018.12.083 . .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Radovanović, Lidija D.
AU  - Božić, Bojan
AU  - Božić, Nedeljković B.
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Rogan, Jelena R.
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana
AU  - Trišović, Nemanja
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2906
AB  - Two series of cycloalkanespiro-5-hydantoins, namely cyclohexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized and their effects on proliferation of human colon (HCT-116), leukemia (K562) and breast (MDA-MB-231) cancer cell lines were tested. For comparison, we also described the 5,5-diphenylhydantoin analogues. The structural features of the investigated compounds were characterized by elemental analysis, FT-IR, UV–Vis, 1H and 13C NMR spectroscopy and X-ray crystallography. Regarding their structure–activity relationships, it was shown that the substitution on the benzyl moiety with the methoxy, chloro or bromo group potentiated the antiproliferative activity relative to the parent compounds, while an increase in the size of the cycloalkyl group resulted mostly in a decrease of the antiproliferative activity. The single crystal X-ray analysis revealed the existence of dimers and chains formed by the N–H⋯O hydrogen bonds. The analysis of the molecular descriptors of Lipinski demonstrated that all investigated compounds obeyed the rule of five. To further understand their geometry and electronic structure, DFT calculations with B3LYP method using 6-311++G(d,p) basic set were performed. In this context, the UV–Vis spectra of the investigated compounds were analyzed in detail, whereby the predicted absorption spectra from DFT calculation matched the experimentally obtained ones, with a good correlation. The interesting physico-chemical and pharmacologically relevant properties of the investigated compounds warrant their further investigation.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety
VL  - 1180
SP  - 48
EP  - 62
DO  - 10.1016/j.molstruc.2018.11.071
ER  - 

@article{
author = "Lazić, Anita M. and Radovanović, Lidija D. and Božić, Bojan and Božić, Nedeljković B. and Vitnik, Vesna and Vitnik, Željko and Rogan, Jelena R. and Valentić, Nataša V. and Ušćumlić, Gordana and Trišović, Nemanja",
year = "2019",
abstract = "Two series of cycloalkanespiro-5-hydantoins, namely cyclohexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized and their effects on proliferation of human colon (HCT-116), leukemia (K562) and breast (MDA-MB-231) cancer cell lines were tested. For comparison, we also described the 5,5-diphenylhydantoin analogues. The structural features of the investigated compounds were characterized by elemental analysis, FT-IR, UV–Vis, 1H and 13C NMR spectroscopy and X-ray crystallography. Regarding their structure–activity relationships, it was shown that the substitution on the benzyl moiety with the methoxy, chloro or bromo group potentiated the antiproliferative activity relative to the parent compounds, while an increase in the size of the cycloalkyl group resulted mostly in a decrease of the antiproliferative activity. The single crystal X-ray analysis revealed the existence of dimers and chains formed by the N–H⋯O hydrogen bonds. The analysis of the molecular descriptors of Lipinski demonstrated that all investigated compounds obeyed the rule of five. To further understand their geometry and electronic structure, DFT calculations with B3LYP method using 6-311++G(d,p) basic set were performed. In this context, the UV–Vis spectra of the investigated compounds were analyzed in detail, whereby the predicted absorption spectra from DFT calculation matched the experimentally obtained ones, with a good correlation. The interesting physico-chemical and pharmacologically relevant properties of the investigated compounds warrant their further investigation.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety",
volume = "1180",
pages = "48-62",
doi = "10.1016/j.molstruc.2018.11.071"
}

Lazić, A. M., Radovanović, L. D., Božić, B., Božić, N. B., Vitnik, V., Vitnik, Ž., Rogan, J. R., Valentić, N. V., Ušćumlić, G.,& Trišović, N.. (2019). Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety. in Journal of Molecular Structure
Elsevier., 1180, 48-62.
https://doi.org/10.1016/j.molstruc.2018.11.071

Lazić AM, Radovanović LD, Božić B, Božić NB, Vitnik V, Vitnik Ž, Rogan JR, Valentić NV, Ušćumlić G, Trišović N. Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety. in Journal of Molecular Structure. 2019;1180:48-62.
doi:10.1016/j.molstruc.2018.11.071 .

Lazić, Anita M., Radovanović, Lidija D., Božić, Bojan, Božić, Nedeljković B., Vitnik, Vesna, Vitnik, Željko, Rogan, Jelena R., Valentić, Nataša V., Ušćumlić, Gordana, Trišović, Nemanja, "Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety" in Journal of Molecular Structure, 1180 (2019):48-62,
https://doi.org/10.1016/j.molstruc.2018.11.071 . .

TY  - JOUR
AU  - Petković Cvetković, Jelena
AU  - Božić, Bojan
AU  - Banjac, Nebojša R.
AU  - Lađarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3206
AB  - Novel succinimide derivatives were synthesized from 3-methyl-3-phenylsuccinic acid and substituted anilines under solvent-free conditions by using microwave irradiation. All obtained compounds were characterized by ultraviolet (UV), Fourier-transform infrared (FT-IR), 1H and 13С nuclear magnetic resonance (NMR) spectroscopy as well as by elemental analysis. The influence of the substituent electronic effects on spectroscopic data was analyzed by applying the Hammett equation. Moreover, a detailed interpretation and comparison of experimentally obtained and theoretically calculated FT-IR, UV and NMR spectra was performed. Density functional theory (DFT) calculated data of the investigated succinimides were obtained and analyzed in order to determine their structural, spectroscopic and electronic properties. Furthermore, ADMET factor profiling and in-silico prediction of potential biological activities of novel succinimide derivatives have been performed.
AB  - Novi derivati sukcinimida sintetisani su polazeći od 3-metil-3-fenilćilibarne kiseline i supstituisanih analina u mikrotalasnom reaktoru u odsustvu rastvarača. Sva jedinjenja su okarakterisana primenom UV-vidljive spektroskopije, infracrvene spektroskopije sa Furijeovom transformacijom (FT-IR), protonske nuklearne magnetne rezonancije (1H NMR), nuklearne magnetne rezonancije ugljenika-13, (13С NMR), kao i elementalnom analizom. Uticaj elektronskih efekata supstituenata na spektroskopske podatke analiziran je upotrebom Hametove jednačine. Takođe, izvršena je detaljna interpretacija, kao i poređenje eksperimentalno dobijenih i teorijski izračunatih FT-IR, UV i NMR spektara. Pored toga, urađeno je ADMET (engl. absorption, distribution, metabolism, excretion and toxicity) profilisanje i in-silico predviđanje potencijalne biološke aktivnosti novosintetisanih derivata sukcinimida.
PB  - Belgrade : Association of the Chemical Engineers of Serbia
T2  - Hemijska industrija
T1  - Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents
VL  - 73
IS  - 2
SP  - 125
EP  - 137
DO  - 10.2298/HEMIND190214011P
ER  - 

@article{
author = "Petković Cvetković, Jelena and Božić, Bojan and Banjac, Nebojša R. and Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko and Valentić, Nataša V. and Ušćumlić, Gordana",
year = "2019",
abstract = "Novel succinimide derivatives were synthesized from 3-methyl-3-phenylsuccinic acid and substituted anilines under solvent-free conditions by using microwave irradiation. All obtained compounds were characterized by ultraviolet (UV), Fourier-transform infrared (FT-IR), 1H and 13С nuclear magnetic resonance (NMR) spectroscopy as well as by elemental analysis. The influence of the substituent electronic effects on spectroscopic data was analyzed by applying the Hammett equation. Moreover, a detailed interpretation and comparison of experimentally obtained and theoretically calculated FT-IR, UV and NMR spectra was performed. Density functional theory (DFT) calculated data of the investigated succinimides were obtained and analyzed in order to determine their structural, spectroscopic and electronic properties. Furthermore, ADMET factor profiling and in-silico prediction of potential biological activities of novel succinimide derivatives have been performed., Novi derivati sukcinimida sintetisani su polazeći od 3-metil-3-fenilćilibarne kiseline i supstituisanih analina u mikrotalasnom reaktoru u odsustvu rastvarača. Sva jedinjenja su okarakterisana primenom UV-vidljive spektroskopije, infracrvene spektroskopije sa Furijeovom transformacijom (FT-IR), protonske nuklearne magnetne rezonancije (1H NMR), nuklearne magnetne rezonancije ugljenika-13, (13С NMR), kao i elementalnom analizom. Uticaj elektronskih efekata supstituenata na spektroskopske podatke analiziran je upotrebom Hametove jednačine. Takođe, izvršena je detaljna interpretacija, kao i poređenje eksperimentalno dobijenih i teorijski izračunatih FT-IR, UV i NMR spektara. Pored toga, urađeno je ADMET (engl. absorption, distribution, metabolism, excretion and toxicity) profilisanje i in-silico predviđanje potencijalne biološke aktivnosti novosintetisanih derivata sukcinimida.",
publisher = "Belgrade : Association of the Chemical Engineers of Serbia",
journal = "Hemijska industrija",
title = "Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents",
volume = "73",
number = "2",
pages = "125-137",
doi = "10.2298/HEMIND190214011P"
}

Petković Cvetković, J., Božić, B., Banjac, N. R., Lađarević, J., Vitnik, V., Vitnik, Ž., Valentić, N. V.,& Ušćumlić, G.. (2019). Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents. in Hemijska industrija
Belgrade : Association of the Chemical Engineers of Serbia., 73(2), 125-137.
https://doi.org/10.2298/HEMIND190214011P

Petković Cvetković J, Božić B, Banjac NR, Lađarević J, Vitnik V, Vitnik Ž, Valentić NV, Ušćumlić G. Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents. in Hemijska industrija. 2019;73(2):125-137.
doi:10.2298/HEMIND190214011P .

Petković Cvetković, Jelena, Božić, Bojan, Banjac, Nebojša R., Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, Valentić, Nataša V., Ušćumlić, Gordana, "Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents" in Hemijska industrija, 73, no. 2 (2019):125-137,
https://doi.org/10.2298/HEMIND190214011P . .

TY  - CONF
AU  - Pantelić, Nebojša
AU  - Zmejkovski, Bojana
AU  - Banjac, Nebojša R.
AU  - Božić, Bojan
AU  - Kaluđerović, Goran N.
PY  - 2019
UR  - https://www.shd.org.rs/index.php/abstracts-56
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3301
AB  - Two novel organotin(IV) compounds containing 2-propanoic acid derivatives were synthesized and characterized by standard spectroscopic methods. In vitro antiproliferative activity of these complexes was investigated versus four tumor cell lines: PC3 (prostate), HT-29 (colon), MCF-7 (breast) and HepG2 (hepatic) using MTT and CV assays. The results have shown that that synthesized complexes exhibit remarkable anticancer activity toward all tested cell lines with 54 to 113 fold higher activity than the reference compound cisplatin. The obtained promising results indicate the necessity for further in vitro/in vivo research with the aim to investigate the mechanism of action of these potencial antitumor agents.
AB  - Dva nova organokalaj(IV) jedinjenja, koja sadrže derivate 2-propanske kiseline, sintetisana su i okarakterisana pomoću standardnih spektroskopskih metoda. In vitro antiproliferativna aktivnost ovih jedinjenja ispitana je prema četiri tumorske ćelijske linije: PC3 (prostata), HT-29 (debelo crevo), MCF-7 (dojka) i HepG2 (jetra) pomoću MTT and CV testova. Rezultati ispitivanja ukazuju da sintetisana jedinjenja ispoljavaju izvanrednu antikancerogenu aktivnost prema svim ispitanim ćelijskim linijama i njihova aktivnost je od 54 do 113 puta veća od aktivnosti referentne supstance, cisplatine. Dobijeni rezultati ukazuju na neophodnost daljih in vitro/in vivo istraživanja sa ciljem ispitivanja mehanizma delovanja ovih potencijalnih antitumorskih agenasa.
PB  - Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd
C3  - 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.
T1  - The anticancer activity evaluation of novel organotin(IV) compunds containing 2-propanoic acid derivatives
T1  - Procena antikancerogene aktivnosti novih organokalaj(IV) jedinjenja koja sadrže derivate 2-propanske kiseline
SP  - 84
UR  - https://hdl.handle.net/21.15107/rcub_cer_3301
ER  - 

@conference{
author = "Pantelić, Nebojša and Zmejkovski, Bojana and Banjac, Nebojša R. and Božić, Bojan and Kaluđerović, Goran N.",
year = "2019",
abstract = "Two novel organotin(IV) compounds containing 2-propanoic acid derivatives were synthesized and characterized by standard spectroscopic methods. In vitro antiproliferative activity of these complexes was investigated versus four tumor cell lines: PC3 (prostate), HT-29 (colon), MCF-7 (breast) and HepG2 (hepatic) using MTT and CV assays. The results have shown that that synthesized complexes exhibit remarkable anticancer activity toward all tested cell lines with 54 to 113 fold higher activity than the reference compound cisplatin. The obtained promising results indicate the necessity for further in vitro/in vivo research with the aim to investigate the mechanism of action of these potencial antitumor agents., Dva nova organokalaj(IV) jedinjenja, koja sadrže derivate 2-propanske kiseline, sintetisana su i okarakterisana pomoću standardnih spektroskopskih metoda. In vitro antiproliferativna aktivnost ovih jedinjenja ispitana je prema četiri tumorske ćelijske linije: PC3 (prostata), HT-29 (debelo crevo), MCF-7 (dojka) i HepG2 (jetra) pomoću MTT and CV testova. Rezultati ispitivanja ukazuju da sintetisana jedinjenja ispoljavaju izvanrednu antikancerogenu aktivnost prema svim ispitanim ćelijskim linijama i njihova aktivnost je od 54 do 113 puta veća od aktivnosti referentne supstance, cisplatine. Dobijeni rezultati ukazuju na neophodnost daljih in vitro/in vivo istraživanja sa ciljem ispitivanja mehanizma delovanja ovih potencijalnih antitumorskih agenasa.",
publisher = "Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd",
journal = "56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.",
title = "The anticancer activity evaluation of novel organotin(IV) compunds containing 2-propanoic acid derivatives, Procena antikancerogene aktivnosti novih organokalaj(IV) jedinjenja koja sadrže derivate 2-propanske kiseline",
pages = "84",
url = "https://hdl.handle.net/21.15107/rcub_cer_3301"
}

Pantelić, N., Zmejkovski, B., Banjac, N. R., Božić, B.,& Kaluđerović, G. N.. (2019). The anticancer activity evaluation of novel organotin(IV) compunds containing 2-propanoic acid derivatives. in 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.
Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd., 84.
https://hdl.handle.net/21.15107/rcub_cer_3301

Pantelić N, Zmejkovski B, Banjac NR, Božić B, Kaluđerović GN. The anticancer activity evaluation of novel organotin(IV) compunds containing 2-propanoic acid derivatives. in 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.. 2019;:84.
https://hdl.handle.net/21.15107/rcub_cer_3301 .

Pantelić, Nebojša, Zmejkovski, Bojana, Banjac, Nebojša R., Božić, Bojan, Kaluđerović, Goran N., "The anticancer activity evaluation of novel organotin(IV) compunds containing 2-propanoic acid derivatives" in 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019. (2019):84,
https://hdl.handle.net/21.15107/rcub_cer_3301 .

TY  - JOUR
AU  - Božić, Bojan
AU  - Lović, Jelena
AU  - Banjac, Nebojša R.
AU  - Vitnik, Željko
AU  - Vitnik, Vesna
AU  - Mijin, Dušan
AU  - Ušćumlić, Gordana
AU  - Avramov Ivić, Milka
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2300
AB  - A series of succinimide derivatives were studied using the cyclic and square wave voltammetry. Density function theory was used in order to determinate which of the structural parameters influence the electrochemical activity. The quantum chemical calculations of the investigated succinimides were linked with the experimental electrochemical data and used to propose the oxidation mechanism. The most active among studied succinimides is 1,3-diphenylsuccinimide. The results obtained from the cyclic and square wave voltammetry and quantum chemical calculations indicate that the investigated compounds undergo oxidation by irreversible, diffusion controlled process including transfer of 1e(-) and 1 proton. The voltammetric and DFT results signify that the mechanism of electrochemical oxidation of all compounds involve the conversion of carbonyl-methyne-phenyl segment or methylene group in free radical. This conversion proceeds by the loss of one proton one electron process.
PB  - Esg, Belgrade
T2  - International Journal of Electrochemical Science
T1  - Voltammetric and Quantum Investigation of Selected Succinimides
VL  - 13
IS  - 5
SP  - 4285
EP  - 4297
DO  - 10.20964/2018.05.54
ER  - 

@article{
author = "Božić, Bojan and Lović, Jelena and Banjac, Nebojša R. and Vitnik, Željko and Vitnik, Vesna and Mijin, Dušan and Ušćumlić, Gordana and Avramov Ivić, Milka",
year = "2018",
abstract = "A series of succinimide derivatives were studied using the cyclic and square wave voltammetry. Density function theory was used in order to determinate which of the structural parameters influence the electrochemical activity. The quantum chemical calculations of the investigated succinimides were linked with the experimental electrochemical data and used to propose the oxidation mechanism. The most active among studied succinimides is 1,3-diphenylsuccinimide. The results obtained from the cyclic and square wave voltammetry and quantum chemical calculations indicate that the investigated compounds undergo oxidation by irreversible, diffusion controlled process including transfer of 1e(-) and 1 proton. The voltammetric and DFT results signify that the mechanism of electrochemical oxidation of all compounds involve the conversion of carbonyl-methyne-phenyl segment or methylene group in free radical. This conversion proceeds by the loss of one proton one electron process.",
publisher = "Esg, Belgrade",
journal = "International Journal of Electrochemical Science",
title = "Voltammetric and Quantum Investigation of Selected Succinimides",
volume = "13",
number = "5",
pages = "4285-4297",
doi = "10.20964/2018.05.54"
}

Božić, B., Lović, J., Banjac, N. R., Vitnik, Ž., Vitnik, V., Mijin, D., Ušćumlić, G.,& Avramov Ivić, M.. (2018). Voltammetric and Quantum Investigation of Selected Succinimides. in International Journal of Electrochemical Science
Esg, Belgrade., 13(5), 4285-4297.
https://doi.org/10.20964/2018.05.54

Božić B, Lović J, Banjac NR, Vitnik Ž, Vitnik V, Mijin D, Ušćumlić G, Avramov Ivić M. Voltammetric and Quantum Investigation of Selected Succinimides. in International Journal of Electrochemical Science. 2018;13(5):4285-4297.
doi:10.20964/2018.05.54 .

Božić, Bojan, Lović, Jelena, Banjac, Nebojša R., Vitnik, Željko, Vitnik, Vesna, Mijin, Dušan, Ušćumlić, Gordana, Avramov Ivić, Milka, "Voltammetric and Quantum Investigation of Selected Succinimides" in International Journal of Electrochemical Science, 13, no. 5 (2018):4285-4297,
https://doi.org/10.20964/2018.05.54 . .

TY  - JOUR
AU  - Mirkovic, Jelena
AU  - Božić, Bojan
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Rogan, Jelena R.
AU  - Poleti, Dejan
AU  - Ušćumlić, Gordana
AU  - Mijin, Dušan
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2318
AB  - Ten 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones were studied (five new compounds) to provide insight into the electronic effects of diverse substituents located at different positions in their phenyl moieties. The structural features of these dyes were examined by combining experimental and theoretical approaches. The crystal structures of two derivatives were revealed by X-ray crystallography and diverse packing modes owing to different intermolecular interactions (- stacking and lone pair- interactions, as well as hydrogen bonds) were found. A study on lattice energy and energy related to the molecular pairs obtained from their crystal packing was performed. The tautomerism and ionisation of the dyes in ethanol or N,N -dimethylformamide solution were rationalised in terms of diazo component substitution pattern.
PB  - Blackwell Publishing Ltd
T2  - Coloration Technology
T1  - Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones
VL  - 134
IS  - 1
SP  - 33
EP  - 43
DO  - 10.1111/cote.12321
ER  - 

@article{
author = "Mirkovic, Jelena and Božić, Bojan and Vitnik, Vesna and Vitnik, Željko and Rogan, Jelena R. and Poleti, Dejan and Ušćumlić, Gordana and Mijin, Dušan",
year = "2018",
abstract = "Ten 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones were studied (five new compounds) to provide insight into the electronic effects of diverse substituents located at different positions in their phenyl moieties. The structural features of these dyes were examined by combining experimental and theoretical approaches. The crystal structures of two derivatives were revealed by X-ray crystallography and diverse packing modes owing to different intermolecular interactions (- stacking and lone pair- interactions, as well as hydrogen bonds) were found. A study on lattice energy and energy related to the molecular pairs obtained from their crystal packing was performed. The tautomerism and ionisation of the dyes in ethanol or N,N -dimethylformamide solution were rationalised in terms of diazo component substitution pattern.",
publisher = "Blackwell Publishing Ltd",
journal = "Coloration Technology",
title = "Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones",
volume = "134",
number = "1",
pages = "33-43",
doi = "10.1111/cote.12321"
}

Mirkovic, J., Božić, B., Vitnik, V., Vitnik, Ž., Rogan, J. R., Poleti, D., Ušćumlić, G.,& Mijin, D.. (2018). Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones. in Coloration Technology
Blackwell Publishing Ltd., 134(1), 33-43.
https://doi.org/10.1111/cote.12321

Mirkovic J, Božić B, Vitnik V, Vitnik Ž, Rogan JR, Poleti D, Ušćumlić G, Mijin D. Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones. in Coloration Technology. 2018;134(1):33-43.
doi:10.1111/cote.12321 .

Mirkovic, Jelena, Božić, Bojan, Vitnik, Vesna, Vitnik, Željko, Rogan, Jelena R., Poleti, Dejan, Ušćumlić, Gordana, Mijin, Dušan, "Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones" in Coloration Technology, 134, no. 1 (2018):33-43,
https://doi.org/10.1111/cote.12321 . .

TY  - JOUR
AU  - Mijin, Dušan
AU  - Božić, Bojan
AU  - Lađarević, Jelena
AU  - Matović, Luka
AU  - Ušćumlić, Gordana
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2412
AB  - Disazo pyridone dye, 4-methyl-2,6-dioxo-5-(2-(4-(phenyldiazenyl)phenyl)hydrazono)-1,2,5,6-tetrahydropyridine-3-carbonitrile, is synthesised and thoroughly characterised by a combination of experimental and computational approaches. Fourier Transform-infrared and nuclear magnetic resonance (NMR) spectra prove the existence of the hydrazone form in the solid state and in dimethyl sulphoxide, which is also supported by vibrational and NMR theoretical studies. Ultraviolet (UV) spectral properties, as well as solvatochromism in 19 solvents of different polarity, are investigated. In most of the solvents, the dye is solely present in the hydrazone form, whereas in certain solvents, an acid–base equilibrium exists. Excellent agreement between computational and experimental UV–visible data was established. Frontier Molecular Orbital analysis was performed and proved the existence of intramolecular charge transfer through the dye molecule. A molecular electrostatic potential surface was plotted over the optimised geometry to lighten the reactivity of the investigated molecule.
PB  - Blackwell Publishing Ltd
T2  - Coloration Technology
T1  - Solvatochromism and quantum mechanical investigation of disazo pyridone dye
VL  - 134
IS  - 6
SP  - 478
EP  - 490
DO  - 10.1111/cote.12369
ER  - 

@article{
author = "Mijin, Dušan and Božić, Bojan and Lađarević, Jelena and Matović, Luka and Ušćumlić, Gordana and Vitnik, Vesna and Vitnik, Željko",
year = "2018",
abstract = "Disazo pyridone dye, 4-methyl-2,6-dioxo-5-(2-(4-(phenyldiazenyl)phenyl)hydrazono)-1,2,5,6-tetrahydropyridine-3-carbonitrile, is synthesised and thoroughly characterised by a combination of experimental and computational approaches. Fourier Transform-infrared and nuclear magnetic resonance (NMR) spectra prove the existence of the hydrazone form in the solid state and in dimethyl sulphoxide, which is also supported by vibrational and NMR theoretical studies. Ultraviolet (UV) spectral properties, as well as solvatochromism in 19 solvents of different polarity, are investigated. In most of the solvents, the dye is solely present in the hydrazone form, whereas in certain solvents, an acid–base equilibrium exists. Excellent agreement between computational and experimental UV–visible data was established. Frontier Molecular Orbital analysis was performed and proved the existence of intramolecular charge transfer through the dye molecule. A molecular electrostatic potential surface was plotted over the optimised geometry to lighten the reactivity of the investigated molecule.",
publisher = "Blackwell Publishing Ltd",
journal = "Coloration Technology",
title = "Solvatochromism and quantum mechanical investigation of disazo pyridone dye",
volume = "134",
number = "6",
pages = "478-490",
doi = "10.1111/cote.12369"
}

Mijin, D., Božić, B., Lađarević, J., Matović, L., Ušćumlić, G., Vitnik, V.,& Vitnik, Ž.. (2018). Solvatochromism and quantum mechanical investigation of disazo pyridone dye. in Coloration Technology
Blackwell Publishing Ltd., 134(6), 478-490.
https://doi.org/10.1111/cote.12369

Mijin D, Božić B, Lađarević J, Matović L, Ušćumlić G, Vitnik V, Vitnik Ž. Solvatochromism and quantum mechanical investigation of disazo pyridone dye. in Coloration Technology. 2018;134(6):478-490.
doi:10.1111/cote.12369 .

Mijin, Dušan, Božić, Bojan, Lađarević, Jelena, Matović, Luka, Ušćumlić, Gordana, Vitnik, Vesna, Vitnik, Željko, "Solvatochromism and quantum mechanical investigation of disazo pyridone dye" in Coloration Technology, 134, no. 6 (2018):478-490,
https://doi.org/10.1111/cote.12369 . .

TY  - JOUR
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Božić, Bojan
AU  - Valentić, Nataša V.
AU  - Dilber, Sanda P.
AU  - Mijin, Dušan
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2262
AB  - In this paper, spectroscopic and quantum mechanical investigation of nine 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes was performed, and obtained density functional theory (DFT) results were compared with experimental data. The structural and spectroscopic properties of azo-2-pyridone dyes were studied by DFT using B3LYP, CAM-B3LYP, and M06-2X methods with a 6-311++G(d,p) basis set. Comparison of results reveals that the scaled theoretical vibrational frequencies of azo dyes are in good agreement with experimental data. The time-dependent DFT calculated and experimental ultraviolet-visible (UV-vis) absorption spectra are also in good agreement. The effect of electron-donating -OCH3 and electron-withdrawing -NO2 groups on the structural parameters, vibrational frequencies, UV-vis absorption, and natural bond orbital (NBO) atomic charges were thoroughly analysed. Vibrational, UV-vis, and NBO analyses confirm that investigated dyes exist in the hydrazo tautomeric form in the solid state and ethanol solution. These analyses signify the occurrence of intramolecular charge transfer in these azo-pyridone dyes.
PB  - Blackwell Publishing Ltd
T2  - Coloration Technology
T1  - Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes
VL  - 133
IS  - 3
SP  - 223
EP  - 233
DO  - 10.1111/cote.12271
ER  - 

@article{
author = "Vitnik, Vesna and Vitnik, Željko and Božić, Bojan and Valentić, Nataša V. and Dilber, Sanda P. and Mijin, Dušan and Ušćumlić, Gordana",
year = "2017",
abstract = "In this paper, spectroscopic and quantum mechanical investigation of nine 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes was performed, and obtained density functional theory (DFT) results were compared with experimental data. The structural and spectroscopic properties of azo-2-pyridone dyes were studied by DFT using B3LYP, CAM-B3LYP, and M06-2X methods with a 6-311++G(d,p) basis set. Comparison of results reveals that the scaled theoretical vibrational frequencies of azo dyes are in good agreement with experimental data. The time-dependent DFT calculated and experimental ultraviolet-visible (UV-vis) absorption spectra are also in good agreement. The effect of electron-donating -OCH3 and electron-withdrawing -NO2 groups on the structural parameters, vibrational frequencies, UV-vis absorption, and natural bond orbital (NBO) atomic charges were thoroughly analysed. Vibrational, UV-vis, and NBO analyses confirm that investigated dyes exist in the hydrazo tautomeric form in the solid state and ethanol solution. These analyses signify the occurrence of intramolecular charge transfer in these azo-pyridone dyes.",
publisher = "Blackwell Publishing Ltd",
journal = "Coloration Technology",
title = "Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes",
volume = "133",
number = "3",
pages = "223-233",
doi = "10.1111/cote.12271"
}

Vitnik, V., Vitnik, Ž., Božić, B., Valentić, N. V., Dilber, S. P., Mijin, D.,& Ušćumlić, G.. (2017). Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes. in Coloration Technology
Blackwell Publishing Ltd., 133(3), 223-233.
https://doi.org/10.1111/cote.12271

Vitnik V, Vitnik Ž, Božić B, Valentić NV, Dilber SP, Mijin D, Ušćumlić G. Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes. in Coloration Technology. 2017;133(3):223-233.
doi:10.1111/cote.12271 .

Vitnik, Vesna, Vitnik, Željko, Božić, Bojan, Valentić, Nataša V., Dilber, Sanda P., Mijin, Dušan, Ušćumlić, Gordana, "Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes" in Coloration Technology, 133, no. 3 (2017):223-233,
https://doi.org/10.1111/cote.12271 . .

TY  - JOUR
AU  - Banjac, Nebojša R.
AU  - Božić, Bojan
AU  - Mirkovic, Jelena M.
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2054
AB  - A series of ten 1-aryl-3-methylsuccinimides was synthesized and their solvatochromic properties were studied in a set of fifteen binary solvent mixtures. The solute-solvent interactions were analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The electronic effect of the substituents on the UV-Vis absorption and NMR spectra was analyzed using the simple Hammett equation. Moreover, the B3LYP, CAM-B3LYP, and M06-2X functionals using the 6-311G(d,p) basic set have been assessed in light of the position of experimental absorption maxima obtained for these compounds. The integration grid effects have also been evaluated. An interpretation of the substituent-effect transmission through the molecular skeleton and the nature of the HOMO and LUMO orbitals based on quantum-chemical calculations is given. The values of partial atomic charges from the atomic polar tenzors (APT), natural population analysis (NBO), and charges fit to the electrostatic potential using the B3LYP, CAM-B3LYP, and M06-2X methods are produced and correlated with different experimental properties. In order to estimate the chemical activity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of 1-phenyl-3-methylsuccinimide.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides
VL  - 1129
SP  - 271
EP  - 282
DO  - 10.1016/j.molstruc.2016.09.086
ER  - 

@article{
author = "Banjac, Nebojša R. and Božić, Bojan and Mirkovic, Jelena M. and Vitnik, Vesna and Vitnik, Željko and Valentić, Nataša V. and Ušćumlić, Gordana",
year = "2017",
abstract = "A series of ten 1-aryl-3-methylsuccinimides was synthesized and their solvatochromic properties were studied in a set of fifteen binary solvent mixtures. The solute-solvent interactions were analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The electronic effect of the substituents on the UV-Vis absorption and NMR spectra was analyzed using the simple Hammett equation. Moreover, the B3LYP, CAM-B3LYP, and M06-2X functionals using the 6-311G(d,p) basic set have been assessed in light of the position of experimental absorption maxima obtained for these compounds. The integration grid effects have also been evaluated. An interpretation of the substituent-effect transmission through the molecular skeleton and the nature of the HOMO and LUMO orbitals based on quantum-chemical calculations is given. The values of partial atomic charges from the atomic polar tenzors (APT), natural population analysis (NBO), and charges fit to the electrostatic potential using the B3LYP, CAM-B3LYP, and M06-2X methods are produced and correlated with different experimental properties. In order to estimate the chemical activity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of 1-phenyl-3-methylsuccinimide.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides",
volume = "1129",
pages = "271-282",
doi = "10.1016/j.molstruc.2016.09.086"
}

Banjac, N. R., Božić, B., Mirkovic, J. M., Vitnik, V., Vitnik, Ž., Valentić, N. V.,& Ušćumlić, G.. (2017). Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides. in Journal of Molecular Structure
Elsevier., 1129, 271-282.
https://doi.org/10.1016/j.molstruc.2016.09.086

Banjac NR, Božić B, Mirkovic JM, Vitnik V, Vitnik Ž, Valentić NV, Ušćumlić G. Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides. in Journal of Molecular Structure. 2017;1129:271-282.
doi:10.1016/j.molstruc.2016.09.086 .

Banjac, Nebojša R., Božić, Bojan, Mirkovic, Jelena M., Vitnik, Vesna, Vitnik, Željko, Valentić, Nataša V., Ušćumlić, Gordana, "Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides" in Journal of Molecular Structure, 1129 (2017):271-282,
https://doi.org/10.1016/j.molstruc.2016.09.086 . .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Božić, Bojan
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Rogan, Jelena R.
AU  - Radovanović, Lidija D.
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2073
AB  - The structure-property relationship of newly synthesized 3-(4-substituted benzyl)-1,3-diazaspiro [4.4] nonane-2,4-diones was studied by experimental and calculated methods. The prepared compounds were characterized by UV-Vis, FT-IR, H-1 NMR and C-13 NMR spectroscopy and elemental analysis. The crystal structure was elucidated by single-crystal X-ray diffraction. The 3-benzy1-1,3-diazaspiro[4.41nonane-2,4-dione crystallizes in triclinic P-1 space group, with two crystallographically independent molecules in the asymmetric unit. Cyclopentane ring adopts an envelope conformation. A three-dimensional crystal packing is governed by hydrogen N-H center dot center dot center dot O bonds, numerous C-H center dot center dot center dot O/N and C-H center dot center dot center dot pi interactions between neighboring molecules. Density functional theory (DFT) calculations with B3LYP and M06-2X methods using 6-311++G(d,p) basis set were performed to provide structural and spectroscopic information. Comparisons between experimental and calculated UV-Vis spectral properties suggest that the monomeric form of the investigated spirohydantoins is dominant in all used solvents. The effects of substituents on the absorption spectra of spirohydantoins are interpreted by correlation of absorption frequencies with Hammett equation. The lipophilicities of the investigated molecules were estimated by calculation of their log P values. Some of the spirohydantoins synthesized in this work, exhibit the lipophilicities comparable to the standard medicine anticonvulsant drug Phenytoin. The results obtained in this investigation afford guidelines for the preparation of new derivatives of spirohydantoin as potential anticonvulsant agents and for better understanding the structure-activity relationship.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study
VL  - 1127
SP  - 88
EP  - 98
DO  - 10.1016/j.molstruc.2016.07.069
ER  - 

@article{
author = "Lazić, Anita M. and Božić, Bojan and Vitnik, Vesna and Vitnik, Željko and Rogan, Jelena R. and Radovanović, Lidija D. and Valentić, Nataša V. and Ušćumlić, Gordana",
year = "2017",
abstract = "The structure-property relationship of newly synthesized 3-(4-substituted benzyl)-1,3-diazaspiro [4.4] nonane-2,4-diones was studied by experimental and calculated methods. The prepared compounds were characterized by UV-Vis, FT-IR, H-1 NMR and C-13 NMR spectroscopy and elemental analysis. The crystal structure was elucidated by single-crystal X-ray diffraction. The 3-benzy1-1,3-diazaspiro[4.41nonane-2,4-dione crystallizes in triclinic P-1 space group, with two crystallographically independent molecules in the asymmetric unit. Cyclopentane ring adopts an envelope conformation. A three-dimensional crystal packing is governed by hydrogen N-H center dot center dot center dot O bonds, numerous C-H center dot center dot center dot O/N and C-H center dot center dot center dot pi interactions between neighboring molecules. Density functional theory (DFT) calculations with B3LYP and M06-2X methods using 6-311++G(d,p) basis set were performed to provide structural and spectroscopic information. Comparisons between experimental and calculated UV-Vis spectral properties suggest that the monomeric form of the investigated spirohydantoins is dominant in all used solvents. The effects of substituents on the absorption spectra of spirohydantoins are interpreted by correlation of absorption frequencies with Hammett equation. The lipophilicities of the investigated molecules were estimated by calculation of their log P values. Some of the spirohydantoins synthesized in this work, exhibit the lipophilicities comparable to the standard medicine anticonvulsant drug Phenytoin. The results obtained in this investigation afford guidelines for the preparation of new derivatives of spirohydantoin as potential anticonvulsant agents and for better understanding the structure-activity relationship.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study",
volume = "1127",
pages = "88-98",
doi = "10.1016/j.molstruc.2016.07.069"
}

Lazić, A. M., Božić, B., Vitnik, V., Vitnik, Ž., Rogan, J. R., Radovanović, L. D., Valentić, N. V.,& Ušćumlić, G.. (2017). Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study. in Journal of Molecular Structure
Elsevier., 1127, 88-98.
https://doi.org/10.1016/j.molstruc.2016.07.069

Lazić AM, Božić B, Vitnik V, Vitnik Ž, Rogan JR, Radovanović LD, Valentić NV, Ušćumlić G. Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study. in Journal of Molecular Structure. 2017;1127:88-98.
doi:10.1016/j.molstruc.2016.07.069 .

Lazić, Anita M., Božić, Bojan, Vitnik, Vesna, Vitnik, Željko, Rogan, Jelena R., Radovanović, Lidija D., Valentić, Nataša V., Ušćumlić, Gordana, "Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study" in Journal of Molecular Structure, 1127 (2017):88-98,
https://doi.org/10.1016/j.molstruc.2016.07.069 . .

TY  - JOUR
AU  - Banjac, Nebojša R.
AU  - Božić, Bojan
AU  - Mirkovic, Jelena M.
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3029
AB  - A series of ten 1-aryl-3-methylsuccinimides was synthesized and their solvatochromic properties were studied in a set of fifteen binary solvent mixtures. The solute-solvent interactions were analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The electronic effect of the substituents on the UV-Vis absorption and NMR spectra was analyzed using the simple Hammett equation. Moreover, the B3LYP, CAM-B3LYP, and M06-2X functionals using the 6-311G(d,p) basic set have been assessed in light of the position of experimental absorption maxima obtained for these compounds. The integration grid effects have also been evaluated. An interpretation of the substituent-effect transmission through the molecular skeleton and the nature of the HOMO and LUMO orbitals based on quantum-chemical calculations is given. The values of partial atomic charges from the atomic polar tenzors (APT), natural population analysis (NBO), and charges fit to the electrostatic potential using the B3LYP, CAM-B3LYP, and M06-2X methods are produced and correlated with different experimental properties. In order to estimate the chemical activity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of 1-phenyl-3-methylsuccinimide.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides
VL  - 1129
SP  - 271
EP  - 282
DO  - 10.1016/j.molstruc.2016.09.086
ER  - 

@article{
author = "Banjac, Nebojša R. and Božić, Bojan and Mirkovic, Jelena M. and Vitnik, Vesna and Vitnik, Željko and Valentić, Nataša V. and Ušćumlić, Gordana",
year = "2017",
abstract = "A series of ten 1-aryl-3-methylsuccinimides was synthesized and their solvatochromic properties were studied in a set of fifteen binary solvent mixtures. The solute-solvent interactions were analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The electronic effect of the substituents on the UV-Vis absorption and NMR spectra was analyzed using the simple Hammett equation. Moreover, the B3LYP, CAM-B3LYP, and M06-2X functionals using the 6-311G(d,p) basic set have been assessed in light of the position of experimental absorption maxima obtained for these compounds. The integration grid effects have also been evaluated. An interpretation of the substituent-effect transmission through the molecular skeleton and the nature of the HOMO and LUMO orbitals based on quantum-chemical calculations is given. The values of partial atomic charges from the atomic polar tenzors (APT), natural population analysis (NBO), and charges fit to the electrostatic potential using the B3LYP, CAM-B3LYP, and M06-2X methods are produced and correlated with different experimental properties. In order to estimate the chemical activity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of 1-phenyl-3-methylsuccinimide.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides",
volume = "1129",
pages = "271-282",
doi = "10.1016/j.molstruc.2016.09.086"
}

Banjac, N. R., Božić, B., Mirkovic, J. M., Vitnik, V., Vitnik, Ž., Valentić, N. V.,& Ušćumlić, G.. (2017). Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides. in Journal of Molecular Structure
Elsevier., 1129, 271-282.
https://doi.org/10.1016/j.molstruc.2016.09.086

Banjac NR, Božić B, Mirkovic JM, Vitnik V, Vitnik Ž, Valentić NV, Ušćumlić G. Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides. in Journal of Molecular Structure. 2017;1129:271-282.
doi:10.1016/j.molstruc.2016.09.086 .

Banjac, Nebojša R., Božić, Bojan, Mirkovic, Jelena M., Vitnik, Vesna, Vitnik, Željko, Valentić, Nataša V., Ušćumlić, Gordana, "Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides" in Journal of Molecular Structure, 1129 (2017):271-282,
https://doi.org/10.1016/j.molstruc.2016.09.086 . .

TY  - JOUR
AU  - Arsovski, Violeta M
AU  - Božić, Bojan
AU  - Mirkovic, Jelena M
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Petrović, Slobodan D.
AU  - Ušćumlić, Gordana
AU  - Mijin, Dušan
PY  - 2015
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1719
AB  - To complement a previous UV study, we present a quantitative evaluation of substituent effects on spectroscopic data (H-1 and C-13 NMR chemical shifts as well as FT-IR absorption frequency) applied to N, N'-bisarylmalonamides, using simple and extended Hammett equations as well as the Swain-Lupton equation. Furthermore, the DFT CAM-B3LYP/6-311+G(d,p) method was applied to study the impact of different solvents on the geometry of the molecules and their spectral data. Additionally, experimental data are correlated with theoretical results; excellent linear dependence was obtained. The overall results presented in this paper show that N, N'-bisarylmalonamides are prominent candidates for model molecules.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II)
VL  - 21
IS  - 9
DO  - 10.1007/s00894-015-2777-z
ER  - 

@article{
author = "Arsovski, Violeta M and Božić, Bojan and Mirkovic, Jelena M and Vitnik, Vesna and Vitnik, Željko and Petrović, Slobodan D. and Ušćumlić, Gordana and Mijin, Dušan",
year = "2015",
abstract = "To complement a previous UV study, we present a quantitative evaluation of substituent effects on spectroscopic data (H-1 and C-13 NMR chemical shifts as well as FT-IR absorption frequency) applied to N, N'-bisarylmalonamides, using simple and extended Hammett equations as well as the Swain-Lupton equation. Furthermore, the DFT CAM-B3LYP/6-311+G(d,p) method was applied to study the impact of different solvents on the geometry of the molecules and their spectral data. Additionally, experimental data are correlated with theoretical results; excellent linear dependence was obtained. The overall results presented in this paper show that N, N'-bisarylmalonamides are prominent candidates for model molecules.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II)",
volume = "21",
number = "9",
doi = "10.1007/s00894-015-2777-z"
}

Arsovski, V. M., Božić, B., Mirkovic, J. M., Vitnik, V., Vitnik, Ž., Petrović, S. D., Ušćumlić, G.,& Mijin, D.. (2015). Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II). in Journal of Molecular Modeling
Springer, New York., 21(9).
https://doi.org/10.1007/s00894-015-2777-z

Arsovski VM, Božić B, Mirkovic JM, Vitnik V, Vitnik Ž, Petrović SD, Ušćumlić G, Mijin D. Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II). in Journal of Molecular Modeling. 2015;21(9).
doi:10.1007/s00894-015-2777-z .

Arsovski, Violeta M, Božić, Bojan, Mirkovic, Jelena M, Vitnik, Vesna, Vitnik, Željko, Petrović, Slobodan D., Ušćumlić, Gordana, Mijin, Dušan, "Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II)" in Journal of Molecular Modeling, 21, no. 9 (2015),
https://doi.org/10.1007/s00894-015-2777-z . .

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Božić, Bojan
AU  - Lović, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Petrović, Slobodan D.
AU  - Avramov Ivić, Milka
PY  - 2015
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1756
AB  - Phenytoin (5,5-diphenylhydantoin), one of the most frequently used anticonvulsant and antiarrhythmic drugs, was examined and determined at bare gold electrode in 0.05 M NaHCO3 using its anodic activity by cyclic voltammetry (CV) and square wave voltammetry (SWV). Gold electrode is highly sensitive to the phenytoin concentration (the investigated level of concentrations is usually found in human serum of patients treated with phenytoin), providing linear relationships for a set of lower concentrations (0.5, 0.6, 0.8, 1.0 mu mol dm(-3)) and for a set of higher concentrations (10, 20, 30, 40, 50 mu mol dm(-3)). The effects of the substituent on the phenyl rings on the electrochemical behavior of two derivatives, 5,5-di(4-chlorophenyl) hydantoin and 5,5-di(4-methylphenyl) hydantoin, were examined by CV. A computational study in correlation with the experimental voltammetric results enabled to propose the oxidation mechanisms: the investigated compounds undergo oxidation involving transfer of 1e(-) and 1 proton by irreversible, diffusion controlled process.
PB  - Oxford : Pergamon-Elsevier Science Ltd
T2  - Electrochimica Acta
T1  - Electrochemical characterization of phenytoin and its derivatives on bare gold electrode
VL  - 161
SP  - 378
EP  - 387
DO  - 10.1016/j.electacta.2015.02.114
ER  - 

@article{
author = "Trišović, Nemanja and Božić, Bojan and Lović, Jelena and Vitnik, Vesna and Vitnik, Željko and Petrović, Slobodan D. and Avramov Ivić, Milka",
year = "2015",
abstract = "Phenytoin (5,5-diphenylhydantoin), one of the most frequently used anticonvulsant and antiarrhythmic drugs, was examined and determined at bare gold electrode in 0.05 M NaHCO3 using its anodic activity by cyclic voltammetry (CV) and square wave voltammetry (SWV). Gold electrode is highly sensitive to the phenytoin concentration (the investigated level of concentrations is usually found in human serum of patients treated with phenytoin), providing linear relationships for a set of lower concentrations (0.5, 0.6, 0.8, 1.0 mu mol dm(-3)) and for a set of higher concentrations (10, 20, 30, 40, 50 mu mol dm(-3)). The effects of the substituent on the phenyl rings on the electrochemical behavior of two derivatives, 5,5-di(4-chlorophenyl) hydantoin and 5,5-di(4-methylphenyl) hydantoin, were examined by CV. A computational study in correlation with the experimental voltammetric results enabled to propose the oxidation mechanisms: the investigated compounds undergo oxidation involving transfer of 1e(-) and 1 proton by irreversible, diffusion controlled process.",
publisher = "Oxford : Pergamon-Elsevier Science Ltd",
journal = "Electrochimica Acta",
title = "Electrochemical characterization of phenytoin and its derivatives on bare gold electrode",
volume = "161",
pages = "378-387",
doi = "10.1016/j.electacta.2015.02.114"
}

Trišović, N., Božić, B., Lović, J., Vitnik, V., Vitnik, Ž., Petrović, S. D.,& Avramov Ivić, M.. (2015). Electrochemical characterization of phenytoin and its derivatives on bare gold electrode. in Electrochimica Acta
Oxford : Pergamon-Elsevier Science Ltd., 161, 378-387.
https://doi.org/10.1016/j.electacta.2015.02.114

Trišović N, Božić B, Lović J, Vitnik V, Vitnik Ž, Petrović SD, Avramov Ivić M. Electrochemical characterization of phenytoin and its derivatives on bare gold electrode. in Electrochimica Acta. 2015;161:378-387.
doi:10.1016/j.electacta.2015.02.114 .

Trišović, Nemanja, Božić, Bojan, Lović, Jelena, Vitnik, Vesna, Vitnik, Željko, Petrović, Slobodan D., Avramov Ivić, Milka, "Electrochemical characterization of phenytoin and its derivatives on bare gold electrode" in Electrochimica Acta, 161 (2015):378-387,
https://doi.org/10.1016/j.electacta.2015.02.114 . .

TY  - JOUR
AU  - Arsovski, Violeta M
AU  - Božić, Bojan
AU  - Mirkovic, Jelena M
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Fabian, Walter M F
AU  - Petrović, Slobodan D.
AU  - Mijin, Dušan
PY  - 2014
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1545
AB  - The UV absorption spectra of ten N,N'-bisarylmalonamides have been recorded in the range 200-400 nm in a set of selected solvents. The solute-solvent interactions have been analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra have been interpreted by correlating absorption frequencies with Hammett substituent constants. Furthermore, the experimental findings have been interpreted using the DFT CAM-B3LYP/6-311+G(d,p) method. Electronic energies have been calculated using the same method in combination with the implicit solvation model (conductor-like polarizable continuum model, CPCM) as well as with the explicit addition of two molecules of solvent.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Spectroscopic and quantum mechanical investigation of N,N '-bisarylmalonamides: solvent and structural effects
VL  - 20
IS  - 8
DO  - 10.1007/s00894-014-2384-4
ER  - 

@article{
author = "Arsovski, Violeta M and Božić, Bojan and Mirkovic, Jelena M and Vitnik, Vesna and Vitnik, Željko and Fabian, Walter M F and Petrović, Slobodan D. and Mijin, Dušan",
year = "2014",
abstract = "The UV absorption spectra of ten N,N'-bisarylmalonamides have been recorded in the range 200-400 nm in a set of selected solvents. The solute-solvent interactions have been analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra have been interpreted by correlating absorption frequencies with Hammett substituent constants. Furthermore, the experimental findings have been interpreted using the DFT CAM-B3LYP/6-311+G(d,p) method. Electronic energies have been calculated using the same method in combination with the implicit solvation model (conductor-like polarizable continuum model, CPCM) as well as with the explicit addition of two molecules of solvent.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Spectroscopic and quantum mechanical investigation of N,N '-bisarylmalonamides: solvent and structural effects",
volume = "20",
number = "8",
doi = "10.1007/s00894-014-2384-4"
}

Arsovski, V. M., Božić, B., Mirkovic, J. M., Vitnik, V., Vitnik, Ž., Fabian, W. M. F., Petrović, S. D.,& Mijin, D.. (2014). Spectroscopic and quantum mechanical investigation of N,N '-bisarylmalonamides: solvent and structural effects. in Journal of Molecular Modeling
Springer, New York., 20(8).
https://doi.org/10.1007/s00894-014-2384-4

Arsovski VM, Božić B, Mirkovic JM, Vitnik V, Vitnik Ž, Fabian WMF, Petrović SD, Mijin D. Spectroscopic and quantum mechanical investigation of N,N '-bisarylmalonamides: solvent and structural effects. in Journal of Molecular Modeling. 2014;20(8).
doi:10.1007/s00894-014-2384-4 .

Arsovski, Violeta M, Božić, Bojan, Mirkovic, Jelena M, Vitnik, Vesna, Vitnik, Željko, Fabian, Walter M F, Petrović, Slobodan D., Mijin, Dušan, "Spectroscopic and quantum mechanical investigation of N,N '-bisarylmalonamides: solvent and structural effects" in Journal of Molecular Modeling, 20, no. 8 (2014),
https://doi.org/10.1007/s00894-014-2384-4 . .