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dc.creatorPetković Cvetković, Jelena
dc.creatorBožić, Bojan
dc.creatorBanjac, Nebojša R.
dc.creatorLađarević, Jelena
dc.creatorVitnik, Vesna
dc.creatorVitnik, Željko
dc.creatorValentić, Nataša V.
dc.creatorUšćumlić, Gordana
dc.date.accessioned2019-11-07T13:09:59Z
dc.date.available2019-11-07T13:09:59Z
dc.date.issued2019
dc.identifier.issn0367-598X
dc.identifier.issn0350-249X
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/3206
dc.description.abstractNovel 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), 1H and 13С 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.sr
dc.description.abstractNovi derivati sukcinimida sintetisani su polazeći od 3-metil-3-fenilćilibarne kiseline i supstituisanih analina u mikrotalasnom reaktoru u odsustvu rastvarača. Sva jedinjenja su okarakterisana primenom UV-vidljive spektroskopije, infracrvene spektroskopije sa Furijeovom transformacijom (FT-IR), protonske nuklearne magnetne rezonancije (1H NMR), nuklearne magnetne rezonancije ugljenika-13, (13С NMR), kao i elementalnom analizom. Uticaj elektronskih efekata supstituenata na spektroskopske podatke analiziran je upotrebom Hametove jednačine. Takođe, izvršena je detaljna interpretacija, kao i poređenje eksperimentalno dobijenih i teorijski izračunatih FT-IR, UV i NMR spektara. Pored toga, urađeno je ADMET (engl. absorption, distribution, metabolism, excretion and toxicity) profilisanje i in-silico predviđanje potencijalne biološke aktivnosti novosintetisanih derivata sukcinimida.sr
dc.language.isoensr
dc.publisherBelgrade : Association of the Chemical Engineers of Serbiasr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Technological Development (TD or TR)/31006/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/173052/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171017/RS//sr
dc.rightsopenAccesssr
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourceHemijska industrijasr
dc.subjectSukcinimidisr
dc.subjectElektronski efekatsr
dc.subjectKvantno-hemijski proračunsr
dc.subjectSpektroskopska analizasr
dc.subjectSuccinimidesr
dc.subjectelectronic effectsr
dc.subjectspectroscopic analysissr
dc.subjectquantum chemical calculationsr
dc.titleSpectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agentsen
dc.typearticlesr
dc.rights.licenseBY-NC-NDsr
dcterms.abstractПетковић Цветковић, Јелена; Ушћумлић, Гордана; Валентић, Наташа; Витник, Жељко; Витник, Весна; Лађаревић, Јелена; Бањац, Небојша; Божић, Бојан;
dc.citation.volume73
dc.citation.issue2
dc.citation.spage125
dc.citation.epage137
dc.citation.rankM23~
dc.identifier.doi10.2298/HEMIND190214011P
dc.identifier.fulltexthttps://cer.ihtm.bg.ac.rs/bitstream/id/15366/0367-598X1902125P.pdf
dc.identifier.scopus2-s2.0-85069653687
dc.identifier.wos000466161800006
dc.type.versionpublishedVersionsr


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