Synthesis, in vitro anticancer activities, and quantum chemical investigations on 1,3-bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex

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dc.authoridŞAHİN-BÖLÜKBAŞI, Serap/0000-0003-1057-2558
dc.authoridGurbuz, Nevin/0000-0003-3201-3597
dc.authoridSERDAROGLU, Goncagul/0000-0001-7649-9168
dc.authoridOzdemir, Ismail/0000-0001-6325-0216
dc.authorwosidŞAHİN, Neslihan/F-6402-2019
dc.authorwosidŞAHİN-BÖLÜKBAŞI, Serap/ABJ-7836-2022
dc.authorwosidSerdaroğlu, Goncagül/ADT-1750-2022
dc.authorwosidGurbuz, Nevin/A-3069-2016
dc.authorwosidBarut Celepci, Duygu/M-6189-2017
dc.contributor.authorSerdaroglu, Goncagul
dc.contributor.authorSahin-Bolukbasi, Serap
dc.contributor.authorBarut-Celepci, Duygu
dc.contributor.authorSevincek, Resul
dc.contributor.authorSahin, Neslihan
dc.contributor.authorGurbuz, Nevin
dc.contributor.authorOzdemir, Ismail
dc.date.accessioned2024-08-04T20:49:05Z
dc.date.available2024-08-04T20:49:05Z
dc.date.issued2021
dc.departmentİnönü Üniversitesien_US
dc.description.abstract1,3-Bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex are synthesized and the structures are elucidated using spectroscopies techniques. The molecular and crystal structures of the benzimidazolium salt are confirmed by X-ray crystallography. The molecular geometries of the benzimidazolium and its Ag(I) salt are analyzed using the B3LYP functional with the 6-311+G(d,p)/LANL2DZ basis set. The observed Fourier transform infrared and nuclear magnetic resonance isotropic shifts are compared with the calculated values. Besides, the quantum chemical identifiers, significant intramolecular interactions, and molecular electrostatic potential plots are used to show the tendency/site of the chemical reactivity behavior. The three-dimensional Hirshfeld surfaces and the associated two-dimensional fingerprint plots are applied to obtain an insight into the behavior of the interactions in the crystal. Both compounds are tested for their in vitro anticancer activities against DU-145 and MCF-7 cancer cells and L-929 non-cancer cells using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay.en_US
dc.identifier.doi10.1177/1747519820950219
dc.identifier.endpage607en_US
dc.identifier.issn1747-5198
dc.identifier.issn2047-6507
dc.identifier.issue5-6en_US
dc.identifier.scopus2-s2.0-85096555323en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage596en_US
dc.identifier.urihttps://doi.org/10.1177/1747519820950219
dc.identifier.urihttps://hdl.handle.net/11616/99642
dc.identifier.volume45en_US
dc.identifier.wosWOS:000670481400034en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSage Publications Ltden_US
dc.relation.ispartofJournal of Chemical Researchen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectanticancer activityen_US
dc.subjectcrystal structureen_US
dc.subjectdensity-functional theory studiesen_US
dc.subjectHirshfeld analysisen_US
dc.subjectN-heterocyclic carbeneen_US
dc.titleSynthesis, in vitro anticancer activities, and quantum chemical investigations on 1,3-bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complexen_US
dc.typeArticleen_US

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