Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents
2019
Аутори
Petković-Cvetković, JelenaBožić, Bojan
Banjac, Nebojša
Lađarević, Jelena
Vitnik, Vesna
Vitnik, Željko
Valentić, Nataša
Ušćumlić, Gordana
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Succinimide / electronic effect / spectroscopic analysis / quantum chemical calculationИзвор:
Hemijska industrija, 2019, 73, 2, 125-137Издавач:
- Savez hemijskih inženjera, Beograd
Финансирање / пројекти:
- Моделирање и нумеричке симулације сложених вишечестичних система (RS-171017)
- Проучавање синтезе, структуре и активности органских једињења природног и синтетског порекла (RS-172013)
- Биоинформатички методи за детекцију промотера и теоријско моделовање генских кола (RS-173052)
- Рационални дизајн и синтеза биолошки активних и координационих једињења и функционалних материјала, релевантних у (био)нанотехнологији (RS-172035)
- Испитивање могућности коришћења контаминираних вода за гајење алтернативних, здравствено безбедних жита (RS-31006)
DOI: 10.2298/HEMIND190214011P
ISSN: 0367-598X
WoS: 000466161800006
Scopus: 2-s2.0-85069653687
Институција/група
Tehnološko-metalurški fakultetTY - 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 . .