Silver-N-heterocyclic carbene complexes-catalyzed multicomponent reactions: Synthesis, spectroscopic characterization, density functional theory calculations, and antibacterial study

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dc.authoridGurbuz, Nevin/0000-0003-3201-3597
dc.authoridArfaoui, Youssef/0000-0003-1615-9502
dc.authorwosidGurbuz, Nevin/A-3069-2016
dc.contributor.authorMnasri, Aziza
dc.contributor.authorMejri, Amal
dc.contributor.authorAl-Hazmy, Sadok M.
dc.contributor.authorArfaoui, Youssef
dc.contributor.authorOzdemir, Ismail
dc.contributor.authorGurbuz, Nevin
dc.contributor.authorHamdi, Naceur
dc.date.accessioned2024-08-04T20:50:19Z
dc.date.available2024-08-04T20:50:19Z
dc.date.issued2021
dc.departmentİnönü Üniversitesien_US
dc.description.abstractNowadays, silver-N-heterocyclic carbene (silver-NHCs) complexes are widely used in medicinal chemistry due to their low toxic nature toward humans. Due to the success of silver-NHCs in medicinal applications, interest in these compounds is rapidly increasing. Therefore, the interaction of N,N-disubstituted benzimidazolium salts with Ag2O in dichloromethane to prepare novel Ag(I)-NHCs complexes was carried out at room temperature for 120 h in the absence of light. The obtained complexes were identified and characterized by H-1 and C-13 nuclear magnetic resonance, Fourier-transform infrared, UV-Vis, and elemental analysis techniques. Then, the silver complexes were applied for three-component coupling reactions of aldehydes, amines, and alkynes. The effect of changing the alkyl substituent on the NHCs ligand on the catalytic performance was investigated. In addition, it has been found that the complexes are antimicrobially active and show higher activity than the free ligand. The silver-carbene complexes showed antimicrobial activity against specified microorganisms with MIC values between 0.24 and 62.5 mu g/ml. These results showed that the silver-NHC complexes exhibit an effective antimicrobial activity against bacterial and fungal strains. A density functional theory calculation study was performed to identify the stability of the obtained complexes. All geometries were optimized employing an effective core potential basis, such as LANL2DZ for the Ag atom and 6-311+G(d,p) for all the other atoms in the gas phase. Electrostatic potential surfaces and LUMO-HOMO energy were computed. Transition energies and excited-state structures were obtained from the time-dependent density functional theory calculations.en_US
dc.description.sponsorshipInonu University Research Fund [IU-BAP: FBG-2019-1594]en_US
dc.description.sponsorshipThis study was supported by the nonu University Research Fund (u-BAP: FBG-2019-1594).en_US
dc.identifier.doi10.1002/ardp.202100111
dc.identifier.issn0365-6233
dc.identifier.issn1521-4184
dc.identifier.issue9en_US
dc.identifier.pmid34128256en_US
dc.identifier.scopus2-s2.0-85107950701en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/ardp.202100111
dc.identifier.urihttps://hdl.handle.net/11616/99987
dc.identifier.volume354en_US
dc.identifier.wosWOS:000661373100001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofArchiv Der Pharmazieen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectantimicrobial activityen_US
dc.subjectantitumor activityen_US
dc.subjectbenzimidazolium salten_US
dc.subjectDFT calculationsen_US
dc.subjectmulticomponent reactionsen_US
dc.subjectsilver catalysisen_US
dc.subjectstructural characterizationen_US
dc.titleSilver-N-heterocyclic carbene complexes-catalyzed multicomponent reactions: Synthesis, spectroscopic characterization, density functional theory calculations, and antibacterial studyen_US
dc.typeArticleen_US

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