Benzimidazolium Salts Bearing 2-methyl-1,4benzodioxane Group: Synthesis, Characterization, Computational Studies, In vitro Antioxidant and Antimicrobial Activity

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dc.authoridTASKIN TOK, Tugba/0000-0002-0064-8400
dc.authoridAktaş, Aydın/0000-0001-8496-6782
dc.authorwosidGök, Yetkin/AAA-5669-2021
dc.authorwosidTASKIN TOK, Tugba/A-8885-2016
dc.authorwosidAktaş, Aydın/J-6194-2019
dc.contributor.authorAlbayrak, Sevil
dc.contributor.authorGok, Yetkin
dc.contributor.authorSari, Yakup
dc.contributor.authorTok, Tugba Taskin
dc.contributor.authorAktas, Aydin
dc.date.accessioned2024-08-04T20:49:18Z
dc.date.available2024-08-04T20:49:18Z
dc.date.issued2021
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThis study contains the synthesis of the 1-(2-methyl-1,4-benzodioxane)benzimidazole and 2-methyl-1,4-benzodioxane substituted benzimidazolium salts. The benzimidazolium salts were synthesized from the reaction of the 1-(2-methyl-1,4-benzodioxane)benzimidazole and various aryl chlorides. All compounds were characterized using H-1 NMR, C-13 NMR, FTIR spectroscopy, and elemental analysis techniques. The antioxidant properties of benzimidazolium salts were examined by 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging and hydrogen peroxide scavenging ability assays. The compounds showed a moderate inhibitory effect on DPPH radical (The percent inhibition = 29.53-39.75). Also, the compounds exhibited significant H2O2 radical scavenging activity. Antimicrobial activities of the compounds were examined against nine bacterial strains and Candida albicans. All compounds displayed marked antimicrobial activity against tested microorganisms, particularly against Pseudomonas aeruginosa, Listeria monocytogenes, and C. albicans. From the computational perspective, benzimidazolium salts were also optimized at B3LYP / DMol3// DFT level using the Discovery Studio 2020 program. HOMO-LUMO analysis and molecular electrostatic potential surface (MESP) were exerted to examine the effects of benzimidazolium salts' electronic and structural properties.en_US
dc.description.sponsorshipInonu University Research Fund [2011/21]en_US
dc.description.sponsorshipThis research was funded by Inonu University Research Fund, grant number 2011/21.en_US
dc.identifier.doi10.33263/BRIAC115.1333313346
dc.identifier.endpage13346en_US
dc.identifier.issn2069-5837
dc.identifier.issue5en_US
dc.identifier.scopus2-s2.0-85101088237en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage13333en_US
dc.identifier.urihttps://doi.org/10.33263/BRIAC115.1333313346
dc.identifier.urihttps://hdl.handle.net/11616/99772
dc.identifier.volume11en_US
dc.identifier.wosWOS:000619566700071en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherBiointerface Research Applied Chemistryen_US
dc.relation.ispartofBiointerface Research in Applied Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectantimicrobial activityen_US
dc.subjectantioxidanten_US
dc.subjectbenzimidazolium saltsen_US
dc.subjectDPPHen_US
dc.subjecthydrogen peroxideen_US
dc.subjectcomputational studyen_US
dc.titleBenzimidazolium Salts Bearing 2-methyl-1,4benzodioxane Group: Synthesis, Characterization, Computational Studies, In vitro Antioxidant and Antimicrobial Activityen_US
dc.typeArticleen_US

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