DFT calculation, biological activity, anion sensing studies and crystal structure of (E)-4-chloro-2-((pyridin-2-ylimino)-methyl)phenol

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Nuray Yildirim
Neslihan Demir
Gökhan Alpaslan
Bahadir Boyacioglu
Mustafa Yildiz
Huseyin Ünver

Abstract

(E)-4-Chloro-2-[(pyridin-2-ylimino)methyl]phenol was synthesized in the reaction of 2-aminopyridine with 5-chlorosalicylaldehyde. The structure of compound was investigated by FTIR, UV–Vis, 1H-NMR, 13C-NMR and
X-ray data. In addition, characterization of the compound was realized using theoretical quantum mechanical calculations and experimental spectroscopic methods. The molecular structure of the compound was confirmed using X-ray single-crystal data, NMR, FTIR and UV–Vis, which were in good agreement with the structure predicted by the theoretical calculations using the density functional theory (DFT). Moreover, the antimicrobial activity of the compound was investigated against some bacteria and yeast cultures by the broth micro­dilution test. UV–Vis spectroscopy studies of the interactions between the Schiff base and calf thymus DNA (CT-DNA) showed that the compound inter­acts with CT-DNA via electrostatic binding. The colorimetric response of the compound receptors was investigated before and after the addition of an equi­v­alent amount of each anion to evaluate anion recognition properties. 

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How to Cite
[1]
N. Yildirim, N. Demir, G. Alpaslan, B. Boyacioglu, M. Yildiz, and H. Ünver, “DFT calculation, biological activity, anion sensing studies and crystal structure of (E)-4-chloro-2-((pyridin-2-ylimino)-methyl)phenol”, J. Serb. Chem. Soc., vol. 83, no. 6, pp. 707–721, Jul. 2018.
Section
Theoretical Chemistry
Author Biographies

Nuray Yildirim, Health Services Vocational School, Çanakkale Onsekiz Mart University, TR-17100 Çanakkale

Health Services Vocational School

Neslihan Demir, Department of Biology, Faculty of Arts and Sciences, Çanakkale Onsekiz Mart University, TR-17100 Çanakkale

Department of Biology

Gökhan Alpaslan, Department of Medical Services and Techniques, Vocational School of Health Services, Giresun University, TR-28200 Giresun

Department of  Medical Services and Techniques

Bahadir Boyacioglu, Vocational School of Health Services, Ankara University, TR-06290 Keçioren-Ankara,

Vocational School of Health Services

Mustafa Yildiz, Department of Chemistry, Faculty of Arts and Sciences, Çanakkale Onsekiz Mart University, TR-17100 Çanakkale

Department of Chemistry

Huseyin Ünver, Department of Physics, Faculty of Science, Ankara University, 06100 Beşevler-Ankara

Department of Physics

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