TY  - JOUR
AU  - Vidović, Dunja
AU  - Milošević, Nataša
AU  - Pavlović, Nebojša
AU  - Todorović, Nemanja
AU  - Panić, Jelena Čanji
AU  - Ćurčić, Jelena
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Božić, Bojan
AU  - Lalić-Popović, Mladena
UR  - https://onlinelibrary.wiley.com/doi/abs/10.1002/bmc.5413
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6105
AB  - Passive permeability is one of the key features that determine absorbability and one of the most studied properties in the early phases of drug development. Newly synthesized succinimide derivatives from two different series (1-aryl-3-methylsuccinimides and 1-aryl-3-ethyl-3-methylsuccinimides) with high biological potential have been subjected to estimation of their passive permeability and their association with (a) experimentally obtained anisotropic lipophilicity, (b) in silico–calculated lipophilicity and (c) in silico–predicted permeability and absorbability. Non-cellular-based parallel artificial membrane permeability assay was applied for quantifying their passive permeation, expressed as logPapp. Passive permeation was governed by the lipophilicity of the analysed compounds, and anisotropic lipophilicity was related with statistically significant passive transcellular diffusion (r2 = 0.614, P < 0.001). Moreover, experimentally determined passive permeability, logPapp, was statistically significantly associated with both in silico–predicted absorption constant, ka (r2 = 0.7886, P < 0.001), and human intestinal absorption (HIA) in percentage (r2 = 0.484, P < 0.001), respectively. However, there was no statistically significant relationship between experimentally obtained permeability on non-cellular-based model and in silico–predicted Caco-2 permeability based on the predictions conducted on two different software. Based on the obtained results, anisotropic systems are promising surrogates for determining lipophilicity, except for compounds with acidic functional groups that are completely ionized under (pH = 7.4).
T2  - Biomedical Chromatography
T2  - Biomedical Chromatography
T1  - In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay
IS  - n/a
SP  - e5413
VL  - n/a
DO  - 10.1002/bmc.5413
ER  - 

@article{
author = "Vidović, Dunja and Milošević, Nataša and Pavlović, Nebojša and Todorović, Nemanja and Panić, Jelena Čanji and Ćurčić, Jelena and Banjac, Nebojša and Trišović, Nemanja and Božić, Bojan and Lalić-Popović, Mladena",
abstract = "Passive permeability is one of the key features that determine absorbability and one of the most studied properties in the early phases of drug development. Newly synthesized succinimide derivatives from two different series (1-aryl-3-methylsuccinimides and 1-aryl-3-ethyl-3-methylsuccinimides) with high biological potential have been subjected to estimation of their passive permeability and their association with (a) experimentally obtained anisotropic lipophilicity, (b) in silico–calculated lipophilicity and (c) in silico–predicted permeability and absorbability. Non-cellular-based parallel artificial membrane permeability assay was applied for quantifying their passive permeation, expressed as logPapp. Passive permeation was governed by the lipophilicity of the analysed compounds, and anisotropic lipophilicity was related with statistically significant passive transcellular diffusion (r2 = 0.614, P < 0.001). Moreover, experimentally determined passive permeability, logPapp, was statistically significantly associated with both in silico–predicted absorption constant, ka (r2 = 0.7886, P < 0.001), and human intestinal absorption (HIA) in percentage (r2 = 0.484, P < 0.001), respectively. However, there was no statistically significant relationship between experimentally obtained permeability on non-cellular-based model and in silico–predicted Caco-2 permeability based on the predictions conducted on two different software. Based on the obtained results, anisotropic systems are promising surrogates for determining lipophilicity, except for compounds with acidic functional groups that are completely ionized under (pH = 7.4).",
journal = "Biomedical Chromatography, Biomedical Chromatography",
title = "In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay",
number = "n/a",
pages = "e5413",
volume = "n/a",
doi = "10.1002/bmc.5413"
}

Vidović, D., Milošević, N., Pavlović, N., Todorović, N., Panić, J. Č., Ćurčić, J., Banjac, N., Trišović, N., Božić, B.,& Lalić-Popović, M..In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay. in Biomedical Chromatography, n/a(n/a), e5413.
https://doi.org/10.1002/bmc.5413

Vidović D, Milošević N, Pavlović N, Todorović N, Panić JČ, Ćurčić J, Banjac N, Trišović N, Božić B, Lalić-Popović M. In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay. in Biomedical Chromatography.n/a(n/a):e5413.
doi:10.1002/bmc.5413 .

Vidović, Dunja, Milošević, Nataša, Pavlović, Nebojša, Todorović, Nemanja, Panić, Jelena Čanji, Ćurčić, Jelena, Banjac, Nebojša, Trišović, Nemanja, Božić, Bojan, Lalić-Popović, Mladena, "In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay" in Biomedical Chromatography, n/a, no. n/a:e5413,
https://doi.org/10.1002/bmc.5413 . .

TY  - JOUR
AU  - Pantelić, Nebojša Đ.
AU  - Božić, Bojan
AU  - Zmejkovski, Bojana B.
AU  - Banjac, Nebojša R.
AU  - Dojčinović, Biljana
AU  - Wessjohann, Ludger A.
AU  - Kaluđerović, Goran N.
PY  - 2021
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5869
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 AG
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
IS  - 11
SP  - 3199
VL  - 26
DO  - 10.3390/molecules26113199
ER  - 

@article{
author = "Pantelić, Nebojša Đ. and Božić, Bojan and Zmejkovski, Bojana B. 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 AG",
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",
number = "11",
pages = "3199",
volume = "26",
doi = "10.3390/molecules26113199"
}

Pantelić, N. Đ., Božić, B., Zmejkovski, B. 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 AG., 26(11), 3199.
https://doi.org/10.3390/molecules26113199

Pantelić NĐ, Božić B, Zmejkovski BB, 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 B., 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  - Pantelić, Nebojša
AU  - Zmejkovski, Bojana B.
AU  - Božić, Bojan
AU  - Dojčinović, Biljana
AU  - Banjac, Nebojša
AU  - Wessjohann, Ludger A.
AU  - Kaludjerović, Goran N.
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5306
AB  - Two novel triphenyltin(IV) compounds, [Ph(3)SnL1] (L1 = 2-(5-(4- fluorobenzylidene)-2,4-dioxotetrahydrothiazole-3-yl)propanoate (1)) and [Ph(3)SnL2] (L2 = 2-(5-(5-methyl-2-furfurylidene)-2,4-dioxotetrahydrothiazole-3-yl)propanoate (2)) were synthesized and characterized by FT-IR, (H-1 and C-13) 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 mu M. Compound 1 exhibits the highest activity toward PC-3 cells (IC50 = 0.115 +/- 0.009 mu M; 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 Science Inc, New York
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  - 211
DO  - 10.1016/j.jinorgbio.2020.111207
ER  - 

@article{
author = "Pantelić, Nebojša and Zmejkovski, Bojana B. and Božić, Bojan and Dojčinović, Biljana and Banjac, Nebojša and Wessjohann, Ludger A. and Kaludjerović, Goran N.",
year = "2020",
abstract = "Two novel triphenyltin(IV) compounds, [Ph(3)SnL1] (L1 = 2-(5-(4- fluorobenzylidene)-2,4-dioxotetrahydrothiazole-3-yl)propanoate (1)) and [Ph(3)SnL2] (L2 = 2-(5-(5-methyl-2-furfurylidene)-2,4-dioxotetrahydrothiazole-3-yl)propanoate (2)) were synthesized and characterized by FT-IR, (H-1 and C-13) 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 mu M. Compound 1 exhibits the highest activity toward PC-3 cells (IC50 = 0.115 +/- 0.009 mu M; 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 Science Inc, New York",
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 = "211",
doi = "10.1016/j.jinorgbio.2020.111207"
}

Pantelić, N., Zmejkovski, B. B., Božić, B., Dojčinović, B., Banjac, N., Wessjohann, L. A.,& Kaludjerović, 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 Science Inc, New York., 211.
https://doi.org/10.1016/j.jinorgbio.2020.111207

Pantelić N, Zmejkovski BB, Božić B, Dojčinović B, Banjac N, Wessjohann LA, Kaludjerović 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;211.
doi:10.1016/j.jinorgbio.2020.111207 .

Pantelić, Nebojša, Zmejkovski, Bojana B., Božić, Bojan, Dojčinović, Biljana, Banjac, Nebojša, Wessjohann, Ludger A., Kaludjerović, 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, 211 (2020),
https://doi.org/10.1016/j.jinorgbio.2020.111207 . .

TY  - JOUR
AU  - Pantelić, Nebojša
AU  - Zmejkovski, Bojana B.
AU  - Zizak, Zeljko
AU  - Banjac, Nebojša
AU  - Božić, Bojan D.
AU  - Stanojković, Tatjana P.
AU  - Kaludjerović, Goran N.
PY  - 2019
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5032
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 IC50 values in the range of 0.22 to 0.53 mu M. The highest activity organotin(IV) compound expressed against the HeLa cells (IC50=0.22 +/- 0.04 mu M). The ligand precursor did not show anticancer activity (IC50>200 mu 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 Ltd, London
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
VL  - 2019
DO  - 10.1155/2019/2905840
ER  - 

@article{
author = "Pantelić, Nebojša and Zmejkovski, Bojana B. and Zizak, Zeljko and Banjac, Nebojša and Božić, Bojan D. and Stanojković, Tatjana P. and Kaludjerović, 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 IC50 values in the range of 0.22 to 0.53 mu M. The highest activity organotin(IV) compound expressed against the HeLa cells (IC50=0.22 +/- 0.04 mu M). The ligand precursor did not show anticancer activity (IC50>200 mu 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 Ltd, London",
journal = "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",
volume = "2019",
doi = "10.1155/2019/2905840"
}

Pantelić, N., Zmejkovski, B. B., Zizak, Z., Banjac, N., Božić, B. D., Stanojković, T. P.,& Kaludjerović, 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 Ltd, London., 2019.
https://doi.org/10.1155/2019/2905840

Pantelić N, Zmejkovski BB, Zizak Z, Banjac N, Božić BD, Stanojković TP, Kaludjerović 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;2019.
doi:10.1155/2019/2905840 .

Pantelić, Nebojša, Zmejkovski, Bojana B., Zizak, Zeljko, Banjac, Nebojša, Božić, Bojan D., Stanojković, Tatjana P., Kaludjerović, 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 (2019),
https://doi.org/10.1155/2019/2905840 . .

TY  - JOUR
AU  - Petković-Cvetković, Jelena
AU  - Božić, Bojan
AU  - Banjac, Nebojša
AU  - Ladarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko J.
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2019
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5071
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), H-1 and C-13 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.
PB  - Savez hemijskih inženjera, Beograd
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
EP  - 137
IS  - 2
SP  - 125
VL  - 73
DO  - 10.2298/HEMIND190214011P
ER  - 

@article{
author = "Petković-Cvetković, Jelena and Božić, Bojan and Banjac, Nebojša and Ladarević, Jelena and Vitnik, Vesna and Vitnik, Željko J. and Valentić, Nataša 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), H-1 and C-13 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.",
publisher = "Savez hemijskih inženjera, Beograd",
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",
pages = "137-125",
number = "2",
volume = "73",
doi = "10.2298/HEMIND190214011P"
}

Petković-Cvetković, J., Božić, B., Banjac, N., Ladarević, J., Vitnik, V., Vitnik, Ž. J., Valentić, N.,& 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
Savez hemijskih inženjera, Beograd., 73(2), 125-137.
https://doi.org/10.2298/HEMIND190214011P

Petković-Cvetković J, Božić B, Banjac N, Ladarević J, Vitnik V, Vitnik ŽJ, Valentić N, 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, Ladarević, Jelena, Vitnik, Vesna, Vitnik, Željko J., Valentić, Nataša, 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  - JOUR
AU  - Petković-Cvetković, Jelena
AU  - Božić, Bojan D.
AU  - Banjac, Nebojša
AU  - Petrović, Jovana
AU  - Soković, Marina
AU  - Vitnik, Vesna
AU  - Vitnik, Željko J.
AU  - Ušćumlić, Gordana
AU  - Valentić, Nataša
PY  - 2019
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5038
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, H-1 NMR, C-13 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 Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives
EP  - 156
SP  - 148
VL  - 1181
DO  - 10.1016/j.molstruc.2018.12.083
ER  - 

@article{
author = "Petković-Cvetković, Jelena and Božić, Bojan D. and Banjac, Nebojša and Petrović, Jovana and Soković, Marina and Vitnik, Vesna and Vitnik, Željko J. and Ušćumlić, Gordana and Valentić, Nataša",
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, H-1 NMR, C-13 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 Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives",
pages = "156-148",
volume = "1181",
doi = "10.1016/j.molstruc.2018.12.083"
}

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

Petković-Cvetković J, Božić BD, Banjac N, Petrović J, Soković M, Vitnik V, Vitnik ŽJ, Ušćumlić G, Valentić N. 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 .

Petković-Cvetković, Jelena, Božić, Bojan D., Banjac, Nebojša, Petrović, Jovana, Soković, Marina, Vitnik, Vesna, Vitnik, Željko J., Ušćumlić, Gordana, Valentić, Nataša, "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  - Božić, Bojan
AU  - Lović, Jelena
AU  - Banjac, Nebojša
AU  - Vitnik, Željko J.
AU  - Vitnik, Vesna
AU  - Mijin, Dukin
AU  - Ušćumlić, Gordana
AU  - Avramov-Ivić, Milka L.
PY  - 2018
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4765
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  - Electrochemical Science Group, Beograd
T2  - International Journal of Electrochemical Science
T1  - Voltammetric and Quantum Investigation of Selected Succinimides
EP  - 4297
IS  - 5
SP  - 4285
VL  - 13
DO  - 10.20964/2018.05.54
ER  - 

@article{
author = "Božić, Bojan and Lović, Jelena and Banjac, Nebojša and Vitnik, Željko J. and Vitnik, Vesna and Mijin, Dukin and Ušćumlić, Gordana and Avramov-Ivić, Milka L.",
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 = "Electrochemical Science Group, Beograd",
journal = "International Journal of Electrochemical Science",
title = "Voltammetric and Quantum Investigation of Selected Succinimides",
pages = "4297-4285",
number = "5",
volume = "13",
doi = "10.20964/2018.05.54"
}

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

Božić B, Lović J, Banjac N, Vitnik ŽJ, Vitnik V, Mijin D, Ušćumlić G, Avramov-Ivić ML. 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, Vitnik, Željko J., Vitnik, Vesna, Mijin, Dukin, Ušćumlić, Gordana, Avramov-Ivić, Milka L., "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  - Banjac, Nebojša
AU  - Božić, Bojan D.
AU  - Mirković, Jelena M.
AU  - Vitnik, Vesna
AU  - Vitnik, Željko J.
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4375
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 Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides
EP  - 282
SP  - 271
VL  - 1129
DO  - 10.1016/j.molstruc.2016.09.086
ER  - 

@article{
author = "Banjac, Nebojša and Božić, Bojan D. and Mirković, Jelena M. and Vitnik, Vesna and Vitnik, Željko J. and Valentić, Nataša 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 Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides",
pages = "282-271",
volume = "1129",
doi = "10.1016/j.molstruc.2016.09.086"
}

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

Banjac N, Božić BD, Mirković JM, Vitnik V, Vitnik ŽJ, Valentić N, 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, Božić, Bojan D., Mirković, Jelena M., Vitnik, Vesna, Vitnik, Željko J., Valentić, Nataša, 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 . .