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

A quantum chemical study on the free radical scavenging activity of tyrosol and hydroxytyrosol

(2012) Annia Galano et al.   THEORETICAL CHEMISTRY ACCOUNTS

Antioxidant properties of 4-vinyl derivatives of hydroxycinnamic acids

(2011) Petra Terpinc et al.   FOOD CHEMISTRY

Quantitation of the Hydroxycinnamic Acid Derivatives and the Glycosides of Flavonols and Flavones by UV Absorbance after Identification by LC-MS

(2011) Long-Ze Lin et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Detailed Investigation of the OH Radical Quenching by Natural Antioxidant Caffeic Acid Studied by Quantum Mechanical Models

(2011) Monica Leopoldini et al.   Journal of Chemical Theory and Computation

Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range

(2011) Xiao Wei Sheng et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Free Radical Scavenger Properties of α-Mangostin: Thermodynamics and Kinetics of HAT and RAF Mechanisms

(2011) Ana Martínez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Physicochemical Insights on the Free Radical Scavenging Activity of Sesamol: Importance of the Acid/Base Equilibrium

(2011) Annia Galano et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Canolol: A Promising Chemical Agent against Oxidative Stress

(2011) Annia Galano et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Is Caffeine a Good Scavenger of Oxygenated Free Radicals?

(2011) Jorge Rafael León-Carmona et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Melatonin as a natural ally against oxidative stress: a physicochemical examination

(2011) Annia Galano et al.   JOURNAL OF PINEAL RESEARCH

Mechanism and kinetics studies on the antioxidant activity of sinapinic acid

(2011) Annia Galano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals

(2011) Annia Galano et al.   RSC Advances

The molecular basis of working mechanism of natural polyphenolic antioxidants

(2010) Monica Leopoldini et al.   FOOD CHEMISTRY

Pyranoanthocyanins: A Theoretical Investigation on Their Antioxidant Activity

(2010) Monica Leopoldini et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

OH Radical Scavenging Activity of Edaravone: Mechanism and Kinetics

(2010) Adriana Pérez-González et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of Chain Transfer Agents in Free Radical Polymerization Kinetics

(2010) T. Furuncuoğlu et al.   MACROMOLECULES

OH-radical induced degradation of hydroxybenzoic- and hydroxycinnamic acids and formation of aromatic products—A gamma radiolysis study

(2010) Birgit Krimmel et al.   RADIATION PHYSICS AND CHEMISTRY

Theoretical study on the chemical fate of adducts formed through free radical addition reactions to carotenoids

(2010) Ana Martínez et al.   THEORETICAL CHEMISTRY ACCOUNTS

A kinetic approach for evaluation of the antioxidant activity of selected phenolic acids

(2009) Petra Terpinc et al.   FOOD CHEMISTRY

Antioxidant Activity of Phenolic Acids in Lipid Oxidation Catalyzed by Different Prooxidants

(2009) Věra Kristinová et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

OH Radical Gas Phase Reactions with Aliphatic Ethers: A Variational Transition State Theory Study

(2009) Claudia Zavala-Oseguera et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Peroxyl-Radical-Scavenging Activity of Garlic: 2-Propenesulfenic Acid versus Allicin

(2009) Annia Galano et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Reactions of OOH Radical with β-Carotene, Lycopene, and Torulene: Hydrogen Atom Transfer and Adduct Formation Mechanisms

(2009) Annia Galano et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A computational study of stereospecifity in the thermal elimination reaction of menthyl benzoate in the gas phase

(2009) Ederley Vélez et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Guanosine + OH Radical Reaction in Aqueous Solution: A Reinterpretation of the UV−vis Data Based on Thermodynamic and Kinetic Calculations

(2009) Annia Galano et al.   ORGANIC LETTERS

Quantum chemistry and TST study of the mechanisms and branching ratios for the reactions of OH with unsaturated aldehydes

(2009) Aidee Vega-Rodriguez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Counterpoise corrected interaction energies are not systematically better than uncorrected ones: comparison with CCSD(T) CBS extrapolated values

(2009) Juan Raul Alvarez-Idaboy et al.   THEORETICAL CHEMISTRY ACCOUNTS

In vitro and in vivo antioxidant properties of ferulic acid: A comparative study with other natural oxidation inhibitors

(2008) S ITAGAKI et al.   FOOD CHEMISTRY

Hydrogen atom transfer in the reaction of hydroxycinnamic acids with OH and HO2 radicals: DFT study

(2008) M. Nsangou et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

How Well Can New-Generation Density Functionals Describe the Energetics of Bond-Dissociation Reactions Producing Radicals?

(2008) Yan Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Comparative Study of the Radical-scavenging Activity of the Phenolcarboxylic Acids Caffeic Acid, p-Coumaric Acid, Chlorogenic Acid and Ferulic Acid, With or Without 2-Mercaptoethanol, a Thiol, Using the Induction Period Method

(2008) Yoshinori Kadoma et al.   MOLECULES

Evaluation of oxidative stress markers in neonates with intra-uterine growth retardation

(2008) Zsuzsanna Hracsko et al.   REDOX REPORT