Ternary Transition Metal Complexes with an Azo-Imine Ligand and 2,2?-Bipyridine: Characterization, Computational Calculations, and Acetylcholinesterase Inhibition Activities

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dc.authorid0000-0001-9489-9093
dc.contributor.authorSerbest, Kerim
dc.contributor.authorDural, Turan
dc.contributor.authorKizil, Demet
dc.contributor.authorEmirik, Mustafa
dc.contributor.authorZengin, Ali
dc.contributor.authorDincer, Barbaros
dc.date.accessioned2026-02-12T21:05:00Z
dc.date.available2026-02-12T21:05:00Z
dc.date.issued2022
dc.departmentBursa Teknik Üniversitesi
dc.description.abstractNew mononuclear ternary transition metal complexes: [M(HL)(bipy)2]ClO4, (M: Mn(II) for 1, Ni(II) for 2), [M(HL) (bipy) (ClO4)], (M: Ni(II) for 3, Cu(II) for 4, Zn(II) for 5) with M(II), 2-[(hydroxyimino)methyl]-4-[-phenyldiazenyl] phenol, H2L, and 2,2'-bipyridine were synthesized, and their structures were investigated by using various analytical, spectroscopic techniques such as elemental analysis, FTIR, UV-Vis, NMR, MALDI-TOF mass spectrometry, thermal analysis. The theoretical studies were performed by DFT techniques by using B3LYP function with 6-311++G (d, p)/LanLD2Z basis set. The electronic transitions charters of the complexes were further analyzed by TD-DFT/CAM-B3LYP method. IR and thermal analysis data verify the proposed structures. The inhibition activities of the complexes against acetylcholinesterase (AChE) extracted from Ricania simulans adults and nymphs were examined and all the complexes were found to be active. Among the complexes studied, the highest inhibition activity was exhibited by complex 5 with the lowest IC50 value (3.2 +/- 0.8 mu M) for AChE of adults and complex 3 with the lowest IC50 value (4.6 +/- 0.8 mu M) for AChE of nymphs.
dc.description.sponsorshipResearch Fund of Recep Tayyip Erdogan University [:1184]
dc.description.sponsorshipPart of this work was financially supported by the Research Fund of Recep Tayyip Erdogan University (Project ID:1184). The numerical calculations reported in this paper were performed at TUBITAK ULAKBIM, High Performance, and Grid Computing Center (TRUBA Resources).
dc.identifier.doi10.17344/acsi.2022.7511
dc.identifier.endpage618
dc.identifier.issn1318-0207
dc.identifier.issn1580-3155
dc.identifier.issue3
dc.identifier.pmid36196807
dc.identifier.scopus2-s2.0-85139572191
dc.identifier.scopusqualityQ3
dc.identifier.startpage604
dc.identifier.urihttps://doi.org/10.17344/acsi.2022.7511
dc.identifier.urihttps://hdl.handle.net/20.500.12885/6754
dc.identifier.volume69
dc.identifier.wosWOS:000883417200010
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherSlovensko Kemijsko Drustvo
dc.relation.ispartofActa Chimica Slovenica
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WoS_20260212
dc.subjectMetal complex
dc.subjectTDDFT
dc.subjectAChE inhibitor
dc.subjectR. simulans
dc.titleTernary Transition Metal Complexes with an Azo-Imine Ligand and 2,2?-Bipyridine: Characterization, Computational Calculations, and Acetylcholinesterase Inhibition Activities
dc.typeArticle

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