Isoprene carries approximately half of the flux of non-methane volatile organic carbon
emitted to the atmosphere by the biosphere. Accurate representation of its oxidation rate and …

The chemistry of the atmosphere encompasses a vast number of reactions acting on a
plethora of intermediates. These reactions, occurring sequentially and in parallel, give rise to …

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 …

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 …

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 …

The free radical scavenging activity of capsaicin (CAP), which is the pungent component of
hot chili peppers, has been studied in aqueous and lipid solutions, using the density …

The reactions of OH radicals with the neutral and anionic forms of Edaravone (3-methyl-1-
phenyl-2-pyrazolin-5-one, EDA) have been studied using Density Functional Theory …

The effect of the inclusion of counterpoise corrections (CP) on the accuracy of interaction
energies has been studied for different systems accounting for (1) intermolecular …

Mangosteen is a tropical fruit that presents beneficial effects on human health since it is rich
in anthocyanins and xanthones, which are considered bioactive compounds that have been …

The effectiveness of naturally occurring antioxidant caffeic acid in the inactivation of the very
damaging hydroxyl radical has been theoretically investigated by means of hybrid density …