title: 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.
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.
authors.affiliation: Laboratório 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.
authors.forename: Leonardo Viana
authors.initials: LV
authors.lastname: de Freitas
authors.forename: Cecilia C P
authors.initials: CC
authors.lastname: da Silva
authors.forename: Javier
authors.initials: J
authors.lastname: Ellena
authors.forename: Luiz Antônio Sodré
authors.initials: LA
authors.lastname: Costa
authors.forename: Nicolás A
authors.initials: NA
authors.lastname: Rey
mesh_terms: D000447:Aldehydes / Q000737:chemistry; D000544:Alzheimer Disease / Q000188:drug therapy / Q000378:metabolism; D055808:Drug Discovery; D006801:Humans; D006835:Hydrazones / Q000737:chemistry*; D008670:Metals / Q000378:metabolism; D008958:Models, Molecular; D015125:Oxyquinoline / Q000737:chemistry*; D011506:Proteins / Q000378:metabolism; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D014961:X-Ray Diffraction
chemical_list: D000447:Aldehydes; D006835:Hydrazones; D008670:Metals; D011506:Proteins; D015125:Oxyquinoline
keywords: Alzheimer’s disease; DFT calculations; Isoniazid; Vibrational spectroscopy; XRD