PM6 study of free radical scavenging mechanisms of flavonoids: why does O–H bond dissociation enthalpy effectively represent free radical scavenging activity?

Antioxidant Activity of Plant Phenols: Chemical Mechanisms and Biological Significance

(2012) Olivier Dangles   CURRENT ORGANIC CHEMISTRY

Free radical scavenging activity of morin 2′-O− phenoxide anion

(2012) Zoran Marković et al.   FOOD CHEMISTRY

PM6 and DFT study of free radical scavenging activity of morin

(2012) Zoran Marković et al.   FOOD CHEMISTRY

Contribution of DFT computed molecular descriptors in the study of radical scavenging activity trend of natural hydroxybenzaldehydes and corresponding acids

(2012) Nikolaos Nenadis et al.   FOOD RESEARCH INTERNATIONAL

On the peroxyl scavenging activity of hydroxycinnamic acid derivatives: mechanisms, kinetics, and importance of the acid–base equilibrium

(2012) Jorge Rafael León-Carmona et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A novel relationship between the radical-scavenging activity of flavonoids and enthalpy of formation revealed with Hartree–Fock computations and thermochemical deduction

(2012) Ameha Seyoum Woldu et al.   REDOX REPORT

A theoretical study on cellular antioxidant activity of selected flavonoids

(2012) Yuzhi Rong et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

On the energetics of homolytic and heterolytic OH bond cleavage in flavonoids

(2012) Adam Vagánek et al.   Computational and Theoretical Chemistry

Antioxidant and prooxidant properties of flavonoids

(2011) D. Procházková et al.   FITOTERAPIA

The molecular basis of working mechanism of natural polyphenolic antioxidants

(2010) Monica Leopoldini et al.   FOOD CHEMISTRY

Study of the solvent effect on the enthalpies of homolytic and heterolytic N–H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine

(2010) Ján Rimarčík et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

A Computational Study on the Acidity Dependence of Radical-Scavenging Mechanisms of Anthocyanidins

(2010) Laura Estévez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Basic biochemical mechanisms behind the health benefits of polyphenols

(2010) Cesar G. Fraga et al.   MOLECULAR ASPECTS OF MEDICINE

Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids

(2009) Dragan Amić et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Role of the reacting free radicals on the antioxidant mechanism of curcumin

(2009) Annia Galano et al.   CHEMICAL PHYSICS

Acidity of Hydroxyl Groups: An Overlooked Influence on Antiradical Properties of Flavonoids

(2009) Malgorzata Musialik et al.   JOURNAL OF ORGANIC CHEMISTRY

Comment on “Temperature and Solvent Effects on Radical Scavenging Ability of Phenols”

(2009) Grzegorz Litwinienko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Temperature and Solvent Effects on Radical Scavenging Ability of Phenols

(2009) Velmurugan Thavasi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Free Radical Scavenging Properties of Guaiacol Oligomers: A Combined Experimental and Quantum Study of the Guaiacyl-Moiety Role

(2009) E. Anouar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

New aspects of the antioxidant properties of phenolic acids: a combined theoretical and experimental approach

(2009) E. Anouar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational Modeling of Substituent Effects on Phenol Toxicity

(2008) James S. Wright et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Reaction of Phenols with the 2,2-Diphenyl-1-picrylhydrazyl Radical. Kinetics and DFT Calculations Applied To Determine ArO-H Bond Dissociation Enthalpies and Reaction Mechanism

(2008) Mario C. Foti et al.   JOURNAL OF ORGANIC CHEMISTRY

Bond dissociation enthalpies calculated by the PM3 method confirm activity cliffs in radical scavenging of flavonoids

(2008) Dragan Amić et al.   MOLECULAR DIVERSITY