Understanding trends in selectivity is of paramount importance for multi-electron electrochemical reactions. The goal of this work is to address the issue of 2e(-) versus 4e(-) reduction of oxygen on metal surfaces. Using a detailed thermodynamic analysis based on density functional theory calculations, we show that to a first approximation an activity descriptor, ΔGOH*, the free energy of adso...

David E. Powers, Michael Pushkarsky and Terry A. Miller Laser Spectroscopy Facility The Ohio State University 120 W. 18th Avenue Columbus OH 43210 The spectrum of the CF3S free radical has been observed for the first time cooled in a supersonic free jet expansion. Both ”bright” and ”dark” levels of the à state have been observed using a combination of laser induced fluoresence and fluoresence d...

We investigated the impact of crystallographic orientation on the photocatalytic activity of single crystalline WO3 thin films prepared by molecular beam epitaxy on the photodegradation of rhodamine B (RhB). A clear effect is observed, with (111) being the most reactive surface, followed by (110) and (001). Photoreactivity is directly correlated with the surface free energy determined by densit...

The water-soluble polysaccharide (SCP) was isolated from Semen Coicis through hot water extraction followed by ethanol precipitation. The polysaccharide was deproteinized by using the Sevag reagent, and the polysaccharide was free of proteins as scan by UV Spectra in 260 nm and 280 nm. In order to evaluate its antioxidant activities, Free radicals scavenging activities on superoxide radicals, h...

Semiquantum liquid water molecular dynamics simulation was developed using the time-dependent Hartree approach. The classical intra- and intermolecular potential functions of water were extended to describe the wave packet (WP) hydrogen atoms. The equations of motion with an extended phase space including auxiliary coordinates and momenta representing the hydrogen WP widths were derived and sol...

Titanium dioxide photocatalysed water disinfection is induced by the interaction of light with TiO(2), which generates highly reactive free hydroxyl radicals (OH(*)). These free radicals create lethal damage that leads to bacterial death. Normally, decreasing TiO(2) particle size increases the area of light interaction. This may possibly increase the concentration of OH(*) generated and hence i...

Reactions that inter-convert OH and HO2 are directly involved in the catalytic removal of O3 in the lower stratosphere and in the catalytic production of O3 in the upper troposphere. The agreement between the measured and modeled [HO2]/[OH] tests our current understanding of this important chemistry. Recent changes to the recommended rate constants for OH+O3 and HO2+O3 call into question how ac...

A method has been developed for making "footprints" of proteins bound to DNA. The hydroxyl radical, generated by reduction of hydrogen peroxide by iron(II), is the reagent used to cut the DNA. Hydroxyl radical breaks the backbone of DNA with almost no sequence dependence, so all backbone positions may be monitored for contact with protein. In addition to defining the DNA sequence in contact wit...

Silymarin is an over the counter food supplement that is sold as a liver enhancement and liver protection preparation. It is a major constituent of the seeds of Silybum marianum which is composed of a mixture of seven major components and several minor compounds. The seven major components: taxifolin, silychristin, silydianin, silybin A, silybin B, iso-silybin A and iso-silybin B were isolated ...