A DFT study of the reactivity of OH groups in quercetin and taxifolin antioxidants: The specificity of the 3-OH site
- 31 August 2006
- journal article
- Published by Elsevier BV in Food Chemistry
- Vol. 97 (4), 679-688
- https://doi.org/10.1016/j.foodchem.2005.05.042
Abstract
No abstract availableThis publication has 31 references indexed in Scilit:
- On the effectiveness of the EPR radical equilibration technique in estimating O–H bond dissociation enthalpies of catechols and other complex polyphenolsNew Journal of Chemistry, 2004
- Water Effect on the O−H Dissociation Enthalpy of Para-Substituted Phenols: a DFT StudyThe Journal of Organic Chemistry, 2004
- A Critical Evaluation of the Factors Determining the Effect of Intramolecular Hydrogen Bonding on the O-H Bond Dissociation Enthalpy of Catechol and of Flavonoid AntioxidantsChemistry – A European Journal, 2004
- Reactivity of flavonoids with 1-hydroxyethyl radical: a γ-radiolysis studyBiochimica et Biophysica Acta (BBA) - General Subjects, 2004
- Assessment of Experimental Bond Dissociation Energies Using Composite ab Initio Methods and Evaluation of the Performances of Density Functional Methods in the Calculation of Bond Dissociation EnergiesJournal of Chemical Information and Computer Sciences, 2003
- Poly Methoxy Phenols in Solution: O−H Bond Dissociation Enthalpies, Structures, and Hydrogen BondingThe Journal of Organic Chemistry, 1999
- Thermal Stability of O−H and O−Alkyl Bonds in N-Alkoxyamines. A Density Functional Theory ApproachThe Journal of Physical Chemistry A, 1999
- An assessment of theoretical procedures for the calculation of reliable radical stabilization energies †‡Journal of the Chemical Society, Perkin Transactions 2, 1999
- Structure-antioxidant activity relationships of flavonoids and phenolic acidsFree Radical Biology & Medicine, 1996
- Calculation of Ionization Potentials and C−H Bond Dissociation Energies of Toluene DerivativesThe Journal of Physical Chemistry, 1996