Spectroscopic and computational study of the major oxidation products formed during the reaction of two quercetin conformers with a free radical

Ana María Mendoza-Wilson*, Hisila Santacruz-Ortega, René R. Balandrán-Quintana

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

The goal of this research was to determine whether there are differences between the major oxidation products formed during the reaction of quercetin unhydrate (QUH) or quercetin dihydrate (QDH) with the 2,2-diphenyl-1- picrylhydrazyl free radical (DPPH), as well as to identify some properties of these products. The study was carried out employing spectroscopic and computational methods, in order to know the effect of different conformations of quercetin on the mechanism of free radical scavenging. The results demonstrated that although the same oxidation products may be formed from QUH and QDH, their properties and the predominant product were different in each. The o-quinone was the predominant oxidation product of QUH, whereas in QDH it was established an equilibrium between o-quinone and extended p-quinone.

Original languageEnglish
Pages (from-to)481-488
Number of pages8
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume81
Issue number1
DOIs
StatePublished - 15 Oct 2011

Bibliographical note

Funding Information:
The authors of this paper are very grateful to the Consejo Nacional de Ciencia y Tecnología (CONACYT) which financed the investigation under grant number 91541 . Also to Centro de Investigación en Alimentación y Desarrollo, A.C. (CIAD, A.C.) and Universidad de Sonora , for the support to carry out this work.

Keywords

  • Density Functional Theory
  • Infrared spectra
  • Nuclear magnetic resonance spectra
  • Quercetin
  • Radical scavenging

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