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On the free radical scavenging activities of melatonin's metabolites, AFMK and AMK
The reactions of N 1‐acetyl‐N 2‐formyl‐5‐methoxykynuramine (AFMK) and N 1‐acetyl‐5‐
methoxykynuramine (AMK) with• OH,• OOH, and• OOCC l3 radicals have been studied using …
methoxykynuramine (AMK) with• OH,• OOH, and• OOCC l3 radicals have been studied using …
A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity
The accurate prediction of rate constants for chemical reactions in solution, using
computational methods, is a challenging task. In this work, a computational protocol …
computational methods, is a challenging task. In this work, a computational protocol …
Theoretical and experimental studies of the antioxidant and antinitrosant activity of syringic acid
Syringic acid (SA) is a natural phenolic acid found in vegetables, fruits, and other plant-
based foods. A range of biological activities were proposed for this compound including …
based foods. A range of biological activities were proposed for this compound including …
A physicochemical examination of the free radical scavenging activity of Trolox: mechanism, kinetics and influence of the environment
The free radical scavenging activity of Trolox was studied for aqueous and lipid
environments using the Density Functional Theory. Several reaction mechanisms and free …
environments using the Density Functional Theory. Several reaction mechanisms and free …
Antioxidant Activity of trans-Resveratrol toward Hydroxyl and Hydroperoxyl Radicals: A Quantum Chemical and Computational Kinetics Study
In this work, we have carried out a systematic study of the antioxidant activity of trans-
resveratrol toward hydroxyl (• OH) and hydroperoxyl (• OOH) radicals in aqueous simulated …
resveratrol toward hydroxyl (• OH) and hydroperoxyl (• OOH) radicals in aqueous simulated …
Radical scavenging ability of gallic acid toward OH and OOH radicals. Reaction mechanism and rate constants from the density functional theory
Gallic acid is a ubiquitous compound, widely distributed in the vegetal kingdom and
frequently found in the human diet. In the present work, its primary antioxidant activity has …
frequently found in the human diet. In the present work, its primary antioxidant activity has …
Is caffeine a good scavenger of oxygenated free radicals?
The reactions of caffeine (CAF) with different reactive oxygen species (ROS) have been
studied using density functional theory. Five mechanisms of reaction have been considered …
studied using density functional theory. Five mechanisms of reaction have been considered …
On the direct scavenging activity of melatonin towards hydroxyl and a series of peroxyl radicals
A Galano - Physical Chemistry Chemical Physics, 2011 - pubs.rsc.org
The reactions of melatonin (MLT) with hydroxyl and several peroxyl radicals have been
studied using the Density Functional Theory, specifically the M05-2X functional. Five …
studied using the Density Functional Theory, specifically the M05-2X functional. Five …
Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals
Glutathione, which is the most abundant cytosolic thiol, plays important roles in the non-
enzymatic antioxidant defence system. Its free radical scavenging activity towards radicals of …
enzymatic antioxidant defence system. Its free radical scavenging activity towards radicals of …
Ellagic acid: an unusually versatile protector against oxidative stress
Several aspects related to the antioxidant activity of ellagic acid were investigated using the
density functional theory. It was found that this compound is unusually versatile for protecting …
density functional theory. It was found that this compound is unusually versatile for protecting …