Use este identificador para citar ou linkar para este item: https://locus.ufv.br//handle/123456789/21511
Tipo: Artigo
Título: Experimental and theoretical studies on the characterization of monocrotaline by infrared and Raman spectroscopies
Autor(es): Oliveira, Ramon Prata
Demuner, Antonio Jacinto
Alvarenga, Elson Santiago
Parma, Monica Cropo
Barbosa, Luiz Claudio Almeida
Guimarães, Luciano de Moura
Aguiar, Alex Ramos
Abstract: The use of plants in folk medicine has a long and ancient history in the treatment of various diseases. Currently, a large proportion of commercial drugs are based on natural products or are synthetic compounds inspired on such natural substances. Therefore, in this communication to aid that research, structural and spectroscopic analysis of the natural pyrrolizidine alkaloid called monocrotaline was carried out. Pyrrolizidine alkaloids that are commonly found in the Boraginaceae and Asteraceae families are among the great diversity of secondary metabolites which are produced by plants to act as a defense mechanism against herbivores and microbes. In the present study, the natural product, monocrotaline, an alkaloid isolated from the leaves of Crotalaria paulina, with potential application in medicine, was characterized by infrared (IR) and Raman spectroscopy with the support of Density Functional Theory (DFT) calculations. IR and Raman spectra of monocrotaline were recorded at room temperature ranging from 4000 to 400 cm 1 . DFT calculations with the hybrid functional B3LYP and the basis set 6-31 þ G(d,p) were performed with the purpose of obtaining information on the structural and vibrational properties of this structure. A perfect fit between the experimentally measured frequencies of the IR and Raman spectra and the calculated values were observed, and we have performed the complete identification of monocrotaline by these techniques.
Palavras-chave: Crotalaria
Pyrrolizidine alkaloids
Medicinal plants
ATR FTIR
DFT
Editor: Journal of Molecular Structure
Tipo de Acesso: Elsevier B.V.
URI: https://doi.org/10.1016/j.molstruc.2017.01.050
http://www.locus.ufv.br/handle/123456789/21511
Data do documento: 5-Mai-2017
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