Synthesis, biological activity, DNA binding and anion sensors, molecular structure and quantum chemical studies of a novel bidentate Schiff base derived from 3,5-bis(triflouromethyl)aniline and salicylaldehyde

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dc.authoridBoyacioglu, Bahadir/0000-0003-3757-3622
dc.authoridZeyrek, Celal Tugrul/0000-0001-6744-7841
dc.authoridUnver, Huseyin/0000-0003-3968-4385
dc.contributor.authorYıldız, Mustafa
dc.contributor.authorKarpuz, Ozge
dc.contributor.authorZeyrek, Celal Tugrul
dc.contributor.authorBoyacioglu, Bahadir
dc.contributor.authorDal, Hakan
dc.contributor.authorDemir, Neslihan
dc.contributor.authorYildirim, Nuray
dc.date.accessioned2025-01-27T20:24:39Z
dc.date.available2025-01-27T20:24:39Z
dc.date.issued2015
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractSynthesis, biological activity, spectroscopic and crystallographic characterization and density functional theory (DFT) studies of the Schiff base 3,5-bis(triflouromethyl)aniline and salicylaldehyde are reported. It crystallizes as a monoclinic space group P2(1)/c with a = 7.7814(3)angstrom, b = 26.8674(9)angstrom, c = 7A520(2) angstrom, V = 1379.98(8), Z = 4, D-c = 1.6038 g cm(-3), and mu = 0.156 mm(-1). The molecular structure obtained from X-ray single-crystal analysis of the investigated compound in the ground state was compared using Hartree-Fock (HF) and density functional theory (DFT) with the functionals B3LYP and B1B95 using the 6-311++G(d,p) basis set. The antimicrobial activities of the compound were investigated for its minimum inhibitory concentration (MIC). The interaction of the Schiff base with calf thymus DNA was investigated using UV-visible spectra. The colorimetric response of the Schiff base receptors in DMSO was investigated before and after the addition of an equivalent amount of each anion to evaluate the anion recognition properties. (C) 2015 Elsevier B.V. All rights reserved.
dc.description.sponsorshipAnkara University Grants Commission [2014H0430005, 2015H0506001]; Canakkale Onsekiz Mart University Grants Commission [FDK-2015-307]
dc.description.sponsorshipThe authors are grateful to Ankara University Grants Commission for a research grant (Project Nos.: 2014H0430005 and 2015H0506001) and Canakkale Onsekiz Mart University Grants Commission for a research grant (Project No.: FDK-2015-307).
dc.identifier.doi10.1016/j.molstruc.2015.03.047
dc.identifier.endpage160
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-84928233798
dc.identifier.scopusqualityQ1
dc.identifier.startpage148
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2015.03.047
dc.identifier.urihttps://hdl.handle.net/20.500.12428/22306
dc.identifier.volume1094
dc.identifier.wosWOS:000355714800016
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.subjectSchiff base
dc.subjectDensity functional theory
dc.subjectAntimicrobial activity
dc.subjectTautomerism
dc.subjectCalf thymus-DNA
dc.subjectAnion sensors
dc.titleSynthesis, biological activity, DNA binding and anion sensors, molecular structure and quantum chemical studies of a novel bidentate Schiff base derived from 3,5-bis(triflouromethyl)aniline and salicylaldehyde
dc.typeArticle

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