Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents
2019
Autori
Petković-Cvetković, JelenaBožić, Bojan
Banjac, Nebojša
Ladarević, Jelena
Vitnik, Vesna
Vitnik, Željko J.
Valentić, Nataša
Ušćumlić, Gordana
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
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.
Ključne reči:
Succinimide / electronic effect / spectroscopic analysis / quantum chemical calculationIzvor:
HEMIJSKA INDUSTRIJA, 2019, 73, 2, 125-137Izdavač:
- Savez hemijskih inženjera, Beograd
Finansiranje / projekti:
- Modeliranje i numeričke simulacije složenih višečestičnih sistema (RS-MESTD-Basic Research (BR or ON)-171017)
- Proučavanje sinteze, strukture i aktivnosti organskih jedinjenja prirodnog i sintetskog porekla (RS-MESTD-Basic Research (BR or ON)-172013)
- Bioinformatički metodi za detekciju promotera i teorijsko modelovanje genskih kola (RS-MESTD-Basic Research (BR or ON)-173052)
- Racionalni dizajn i sinteza biološki aktivnih i koordinacionih jedinjenja i funkcionalnih materijala, relevantnih u (bio)nanotehnologiji (RS-MESTD-Basic Research (BR or ON)-172035)
- Ispitivanje mogućnosti korišćenja kontaminiranih voda za gajenje alternativnih, zdravstveno bezbednih žita (RS-MESTD-Technological Development (TD or TR)-31006)
DOI: 10.2298/HEMIND190214011P
ISSN: 0367-598X
WoS: 000466161800006
Scopus: 2-s2.0-85069653687
Institucija/grupa
Poljoprivredni fakultetTY - 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 . .