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Spectrochim Acta A Mol Biomol Spectrosc. 2013 Dec;116:41-8. doi: 10.1016/j.saa.2013.06.105. Epub 2013 Jul 11.

Structural and vibrational study of 8-hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone--a potential metal-protein attenuating compound (MPAC) for the treatment of Alzheimer's disease.

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  • 1Laboratório de Síntese Orgânica e Química de Coordenação Aplicada a Sistemas Biológicos (LABSO-BIO), Departamento de Química, Centro Técnico Científico (CTC), PUC-Rio, Rua Marquês de São Vicente, 225, 22453-900 Gávea, RJ, Brazil. Electronic address: leoatp@hotmail.com.

Abstract

A comprehensive structural and vibrational study of the potential metal-protein attenuating compound 8-hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone is reported. X-ray diffraction data, as well as FT-IR and Raman frequencies, were compared with the respective theoretical values obtained from DFT calculations. Theory agrees well with experiment. In this context, an attempt of total assignment concerning the FT-IR and Raman spectra of the title compound was performed, shedding new light on previous partial assignments published elsewhere.

Copyright © 2013 Elsevier B.V. All rights reserved.

KEYWORDS:

Alzheimer’s disease; DFT calculations; Isoniazid; Vibrational spectroscopy; XRD

PMID:
23896296
[PubMed - indexed for MEDLINE]
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