Synthesis, spectral and quantum chemical studies and use of (E)-3-[(3,5-bis(trifluoromethyl)phenylimino)methyl]benzene-1,2-diol and its Ni(II) and Cu(II) complexes as an anion sensor, DNA binding, DNA cleavage, anti-microbial, anti-mutagenic and anti-cancer agent

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dc.authoridUnver, Huseyin/0000-0003-3968-4385
dc.authoridZeyrek, Celal Tugrul/0000-0001-6744-7841
dc.contributor.authorUnver, Huseyin
dc.contributor.authorBoyacioglu, Bahadir
dc.contributor.authorZeyrek, Celal Tugrul
dc.contributor.authorYıldız, Mustafa
dc.contributor.authorDemir, Neslihan
dc.contributor.authorYildrim, Nuray
dc.contributor.authorKaraosmanoglu, Oguzhan
dc.date.accessioned2025-01-27T20:47:35Z
dc.date.available2025-01-27T20:47:35Z
dc.date.issued2016
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractWe report the synthesis of a novel Schiff base (E)-3-[(3,5-bis(trifluoromethyl) phenylimino)methyll benzene-1,2-diol from the reaction of 2,3-dihydroxybenzaldehyde with 3,5-bis(trifluoromethyl)aniline, and its Ni(II) and Cu(II) complexes. The molecular structure of the Schiff base was experimentally determined using X-ray single-crystal data and was compared to the structure predicted by theoretical calculations using density functional theory (DFT), Hartree-Fock (HF) and Moller-Plesset second-order perturbation (MP2). In addition, nonlinear optical (NLO) effects of the compound was predicted using DFT. The antimicrobial activities of the compounds were investigated for their minimum inhibitory concentration. UV-Vis spectroscopy studies of the interactions between the compounds and calf thymus DNA (CT-DNA) showed that the compounds interacts with CT-DNA via intercalative binding. A DNA cleavage study showed that the Cu(II) complex cleaved DNA without any external agents. The compounds inhibited the base pair mutation in the absence of S9 with high inhibition rate. In addition, in vitro cytotoxicity of the Ni(II) complex towards HepG2 cell line was assayed by the MIT method. Also, the colorimetric response of the Schiff base in DMSO to the addition of equivalent amount of anions (F-, Br-, I-, CN-, SCN-, ClO4-, HSO4-,AcO-, H2PO4-, N-3(-) and OH-) was investigated. In this regard, while the addition of F-, CN-, AcO- and OH- anions into the solution containing Schiff base resulted in a significant color change, the addition of Br-, I-, SCN-, ClO4-, HSO4-, H2PO4- and N-3(-) anions resulted in no color change. The most discernable color change in the Schiff base was caused by CN-, which demonstrated that the ligand can be used to selectively detect CN-. (C) 2016 Elsevier B.V. All rights reserved.
dc.description.sponsorshipScientific and Technical Research Council of Turkey (TUBITAK) [115F253]
dc.description.sponsorshipThe authors are grateful to the Scientific and Technical Research Council of Turkey (TUBITAK) for the financial support of this work, grant number 115F253.
dc.identifier.doi10.1016/j.molstruc.2016.06.058
dc.identifier.endpage176
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-84977098352
dc.identifier.scopusqualityQ1
dc.identifier.startpage162
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2016.06.058
dc.identifier.urihttps://hdl.handle.net/20.500.12428/24974
dc.identifier.volume1125
dc.identifier.wosWOS:000384785100017
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectDensity functional theory
dc.subjectCytotoxicity
dc.subjectDNA cleavage
dc.subjectDNA binding
dc.subjectAnion sensors
dc.titleSynthesis, spectral and quantum chemical studies and use of (E)-3-[(3,5-bis(trifluoromethyl)phenylimino)methyl]benzene-1,2-diol and its Ni(II) and Cu(II) complexes as an anion sensor, DNA binding, DNA cleavage, anti-microbial, anti-mutagenic and anti-cancer agent
dc.typeArticle

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