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Spectrochim Acta A Mol Biomol Spectrosc ; 168: 190-198, 2016 Nov 05.
Artículo en Inglés | MEDLINE | ID: mdl-27294547

RESUMEN

The azo-azomethine dyes with a different substitution have been designed from the reaction of 4,4'-diaminodiphenyl sulfone with 2-hydroxy-5-(aryldiazenyl)benzaldehyde. The compounds have been characterized by elemental analysis, Mass, IR, UV-Vis, TGA-DTA and NMR spectroscopy. The solvatochromism behaviors, effects of substitution and pH on the electronic absorption spectra of dyes were evaluated. The in vitro antimicrobial activities were also screened for their potential for antibiotic activities by broth micro dilution method. Also, the optimum molecular geometries, molecular electrostatic potential (MEP), nucleus-independent chemical shift (NICS) and frontier molecular orbitals (FMO), vibrational spectra (IR ) and electronic absorption (UV-Vis) spectra of the title compounds have been investigated with the help of DFT and TDDFT methods with 6-311++G(d,p) basis sets and PCM calculations. The results of the calculations show excellent agreement with the experimental value.


Asunto(s)
Antiinfecciosos/química , Antiinfecciosos/farmacología , Compuestos Azo/química , Compuestos Azo/farmacología , Fenoles/química , Fenoles/farmacología , Tiosemicarbazonas/química , Tiosemicarbazonas/farmacología , Antiinfecciosos/síntesis química , Compuestos Azo/síntesis química , Bacterias/efectos de los fármacos , Infecciones Bacterianas/tratamiento farmacológico , Candida albicans/efectos de los fármacos , Candidiasis/tratamiento farmacológico , Humanos , Metilación , Modelos Moleculares , Fenoles/síntesis química , Tiosemicarbazonas/síntesis química
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