TY  - JOUR
AU  - Petković-Cvetković, Jelena
AU  - Božić, Bojan
AU  - Banjac, Nebojša
AU  - Lađarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4267
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 Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko 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., Lađarević, J., Vitnik, V., Vitnik, Ž., 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, Lađarević J, Vitnik V, Vitnik Ž, 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, Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, 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
AU  - Banjac, Nebojša
AU  - Petrović, Jovana
AU  - Soković, Marina
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Ušćumlić, Gordana
AU  - Valentić, Nataša
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4309
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 and Banjac, Nebojša and Petrović, Jovana and Soković, Marina and Vitnik, Vesna and Vitnik, Željko 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., Banjac, N., Petrović, J., Soković, M., Vitnik, V., Vitnik, Ž., 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 B, Banjac N, Petrović J, Soković M, Vitnik V, Vitnik Ž, 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, Banjac, Nebojša, Petrović, Jovana, Soković, Marina, Vitnik, Vesna, Vitnik, Željko, 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  - Radivojević, Jelena
AU  - Ivanović, Evica
AU  - Popović-Đorđević, Jelena
AU  - Trišović, Nemanja
AU  - Banjac, Nebojša
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4286
AB  - The solvent influence on absorption spectra of food azo dyes was examined by the method of Linear Solvation Energy Relationships (LSER). For this purpose, six azo dyes were used: tartrazine (E 102), ponceau 4R (E 124), azorubin (E 122), brilliant black (E 151), amaranth (E 123) and gelb orange S (E 110). Absorption spectra of dissolved azo dye have been recorded in the wavelength range of visible radiation, or from 380 to 760 nm, in eight solvent of different polarity. The choice of the solvent was limited due to the high polarity of the azo dye molecules themselves. The effect of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interaction are analysed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The linear correlation of the absorption maxima with parameters of Kamlet-Taft solvatochrome equation yielded satisfactory results.
AB  - Uticaj polarnosti rastvarača na apsorpcione spektre prehrambenih azo boja ispitivan je metodom linearne korelacije energije solvatacije (LSER). U ovu svrhu korišćeno je šest prehrambenih azo boja i to: tartrazin (E 102), ponceau 4R (E 124), azorubin (E 122), brilijant crna (E 151), amarant (E 123) i gelb oranž S (E 110). Apsorpcioni spektri rastvorenih azo boja određeni su u talasnom opsegu vidljivog zračenja, odnosno u opsegu od 380 do 760 nm, u osam rastvarača različite polarnosti. Polarnost samih boja je uticala na izbor malog broja polarnih rastvarača. Spektre ispitivanih azo boja karakteriše jedan apsorpcioni maksimum. Efekat polarnosti rastvarača i efakat vodoničnog vezivanja rastvarač-rastvorena supstanca ispitivan je primenom KamletTaftove solvatohromne jednačine. Linearna korelacija apsorbcionih maksimuma sa parametrima Kamlet-Taftove solvatohromne jednačine dala je zadovoljavajuće rezultate.
PB  - Engineering Society for Corrosion, Belgrade, Serbia
T2  - Zaštita materijala
T1  - Solvent influence on absorption spectra of food azo dyes
T1  - Uticaj rastvarača na apsorpcione spektre prehrambenih azo boja
EP  - 335
IS  - 4
SP  - 331
VL  - 60
DO  - 10.5937/zasmat1904331R
ER  - 

@article{
author = "Radivojević, Jelena and Ivanović, Evica and Popović-Đorđević, Jelena and Trišović, Nemanja and Banjac, Nebojša",
year = "2019",
abstract = "The solvent influence on absorption spectra of food azo dyes was examined by the method of Linear Solvation Energy Relationships (LSER). For this purpose, six azo dyes were used: tartrazine (E 102), ponceau 4R (E 124), azorubin (E 122), brilliant black (E 151), amaranth (E 123) and gelb orange S (E 110). Absorption spectra of dissolved azo dye have been recorded in the wavelength range of visible radiation, or from 380 to 760 nm, in eight solvent of different polarity. The choice of the solvent was limited due to the high polarity of the azo dye molecules themselves. The effect of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interaction are analysed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The linear correlation of the absorption maxima with parameters of Kamlet-Taft solvatochrome equation yielded satisfactory results., Uticaj polarnosti rastvarača na apsorpcione spektre prehrambenih azo boja ispitivan je metodom linearne korelacije energije solvatacije (LSER). U ovu svrhu korišćeno je šest prehrambenih azo boja i to: tartrazin (E 102), ponceau 4R (E 124), azorubin (E 122), brilijant crna (E 151), amarant (E 123) i gelb oranž S (E 110). Apsorpcioni spektri rastvorenih azo boja određeni su u talasnom opsegu vidljivog zračenja, odnosno u opsegu od 380 do 760 nm, u osam rastvarača različite polarnosti. Polarnost samih boja je uticala na izbor malog broja polarnih rastvarača. Spektre ispitivanih azo boja karakteriše jedan apsorpcioni maksimum. Efekat polarnosti rastvarača i efakat vodoničnog vezivanja rastvarač-rastvorena supstanca ispitivan je primenom KamletTaftove solvatohromne jednačine. Linearna korelacija apsorbcionih maksimuma sa parametrima Kamlet-Taftove solvatohromne jednačine dala je zadovoljavajuće rezultate.",
publisher = "Engineering Society for Corrosion, Belgrade, Serbia",
journal = "Zaštita materijala",
title = "Solvent influence on absorption spectra of food azo dyes, Uticaj rastvarača na apsorpcione spektre prehrambenih azo boja",
pages = "335-331",
number = "4",
volume = "60",
doi = "10.5937/zasmat1904331R"
}

Radivojević, J., Ivanović, E., Popović-Đorđević, J., Trišović, N.,& Banjac, N.. (2019). Solvent influence on absorption spectra of food azo dyes. in Zaštita materijala
Engineering Society for Corrosion, Belgrade, Serbia., 60(4), 331-335.
https://doi.org/10.5937/zasmat1904331R

Radivojević J, Ivanović E, Popović-Đorđević J, Trišović N, Banjac N. Solvent influence on absorption spectra of food azo dyes. in Zaštita materijala. 2019;60(4):331-335.
doi:10.5937/zasmat1904331R .

Radivojević, Jelena, Ivanović, Evica, Popović-Đorđević, Jelena, Trišović, Nemanja, Banjac, Nebojša, "Solvent influence on absorption spectra of food azo dyes" in Zaštita materijala, 60, no. 4 (2019):331-335,
https://doi.org/10.5937/zasmat1904331R . .