The existence of a two-center, three-electron hemibond in the first solvation shell •OH(aq) has long been matter debate. manifests ab initio molecular dynamics simulations as small-r feature oxygen radial distribution function (RDF) for H2O···•OH, but that disappears when semilocal density functionals are replaced with hybrids, suggesting self-interaction artifact. Using periodic at PBE0+D3 lev...

The generation of hydroxyl radicals and singlet oxygen during the oxidation of 4-(4-hydroxyphenyl)-2-butanol (rhododendrol) and 4-(3,4-dihydroxyphenyl)-2-butanol (rhododendrol-catechol) with mushroom tyrosinase in a phosphate buffer (pH 7.4) was examined as the model for the reactive oxygen species generation via the two rhododendrol compounds in melanocytes. The reaction was performed in the p...

costus speciosus (koen) j.e. sm. plant and its extracts are used for treatment of fever, snake bites, jaundice, and as a purgative, astringent and antibacterial agent. in the present study, an attempt has been made to evaluate in vitro antioxidant activity of different extracts of this plant by dpph radical scavenging activity, total antioxidant capacity, nitric oxide scavenging activity, ion c...

A highly efficient, two-step sequence method for the deoxygenation of hydroxyl groups has been developed. The method involves the preparation of the 2-(2-iodophenyl)ethyl methyl phosphite derivative of an alcohol using methyl dichlorophosphite and 2-(2-iodophenyl)ethanol. Treatment of the phosphite intermediate with (n-Bu)3SnH/AIBN in refluxing benzene cleanly produces the deoxygenation product...

Experiments are carried out on the detection of free radicals in the plasma induced by a pulsed electrohydrodynamic discharge using electron spin resonance (ESR) measurement. In addition, decolorization of reactive dye (C. I. Reactive RED 106) solution is investigated as a related topic. The plasma reactor is a barrier-type and consists of a stainless needle electrode inside the solution and qu...

OBJECTIVES Environmental particles < 10 microns average aerodynamic diameter (PM10) are associated with mortality, exacerbation of airways diseases, and decrement in lung function. It is hypothesised that PM10 particles, along with other pathogenic particles, generate free radicals at their surface in reactions involving iron, and that this is a factor in the pathogenicity of PM10 particles. Id...

Lipoprotein oxidation has been implicated in the pathogenesis of atherosclerosis. However, the physiologically relevant pathways mediating oxidative damage have not yet been identified. Three potential mechanisms are tyrosyl radical, hydroxyl radical, and redox active metal ions. Tyrosyl radical forms o,o'-dityrosine cross-links in proteins. The highly reactive hydroxyl radical oxidizes phenyla...