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  - 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 . .

TY  - JOUR
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
AU  - Petrović, Slobodan
PY  - 2011
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/2489
AB  - Succinimide is a cycle imide of succinic acid that is present in numerous biologically active compounds including anticonvulsants, antitremor, anti-Parkinson's agents. This paper describes different ways of synthesis of succinimide derivatives, their physical properties and reactivity. Also, the most widely used succinimide anticonvulsants and the analysis of structure-activity relationships of anticonvulsant drugs in terms of lipophilicity and hydrogen bonding are presented here.
AB  - Sukcinimidi su ciklični imidi ćilibarne (sukcinske) kiseline, koji se primenjuju u medicini kao antikonvulzivi. Mogu se, takođe, koristiti u tretiranju drugih cerebralnih oboljenja, kao na primer tremora, Parkinsonove bolesti, itd. U ovom radu su prikazani postupci dobijanja sukcinimida, koji se upotrebljavaju u medicini, kao i njihova struktura i fizičke i hemijske osobine. Razmatran je uticaj strukture na antikonvulzivnu aktivnost različitih derivata sukcinimida sa aspekta lipofilnosti i mogućnosti uspostavljanja vodoničnih veza.
PB  - Savez hemijskih inženjera, Beograd
T2  - Hemijska industrija
T1  - Succinimides: Synthesis, properties and anticonvulsant activity
T1  - Sukcinimidi - dobijanje, svojstva i antikonvulzivna aktivnost
EP  - 453
IS  - 4
SP  - 439
VL  - 65
DO  - 10.2298/HEMIND110224030B
ER  - 

@article{
author = "Banjac, Nebojša and Trišović, Nemanja and Valentić, Nataša and Ušćumlić, Gordana and Petrović, Slobodan",
year = "2011",
abstract = "Succinimide is a cycle imide of succinic acid that is present in numerous biologically active compounds including anticonvulsants, antitremor, anti-Parkinson's agents. This paper describes different ways of synthesis of succinimide derivatives, their physical properties and reactivity. Also, the most widely used succinimide anticonvulsants and the analysis of structure-activity relationships of anticonvulsant drugs in terms of lipophilicity and hydrogen bonding are presented here., Sukcinimidi su ciklični imidi ćilibarne (sukcinske) kiseline, koji se primenjuju u medicini kao antikonvulzivi. Mogu se, takođe, koristiti u tretiranju drugih cerebralnih oboljenja, kao na primer tremora, Parkinsonove bolesti, itd. U ovom radu su prikazani postupci dobijanja sukcinimida, koji se upotrebljavaju u medicini, kao i njihova struktura i fizičke i hemijske osobine. Razmatran je uticaj strukture na antikonvulzivnu aktivnost različitih derivata sukcinimida sa aspekta lipofilnosti i mogućnosti uspostavljanja vodoničnih veza.",
publisher = "Savez hemijskih inženjera, Beograd",
journal = "Hemijska industrija",
title = "Succinimides: Synthesis, properties and anticonvulsant activity, Sukcinimidi - dobijanje, svojstva i antikonvulzivna aktivnost",
pages = "453-439",
number = "4",
volume = "65",
doi = "10.2298/HEMIND110224030B"
}

Banjac, N., Trišović, N., Valentić, N., Ušćumlić, G.,& Petrović, S.. (2011). Succinimides: Synthesis, properties and anticonvulsant activity. in Hemijska industrija
Savez hemijskih inženjera, Beograd., 65(4), 439-453.
https://doi.org/10.2298/HEMIND110224030B

Banjac N, Trišović N, Valentić N, Ušćumlić G, Petrović S. Succinimides: Synthesis, properties and anticonvulsant activity. in Hemijska industrija. 2011;65(4):439-453.
doi:10.2298/HEMIND110224030B .

Banjac, Nebojša, Trišović, Nemanja, Valentić, Nataša, Ušćumlić, Gordana, Petrović, Slobodan, "Succinimides: Synthesis, properties and anticonvulsant activity" in Hemijska industrija, 65, no. 4 (2011):439-453,
https://doi.org/10.2298/HEMIND110224030B . .