Redox potentials are computed for the active form (compound I) of lignin peroxidase (LiP) using a suitable QM/MM methodology (B3LYP/SDD/6-311G**//BP86/SVP:CHARMM). Allowing for dynamic conformational averaging, a potential of 0.67(33) V relative to ferrocenium/ferrocene is obtained for the active form with its oxoiron(iv) core. The computed redox potential is very sensitive to the charge distri...

In this work, quantitative structure-property relationship (QSPR) approaches were used to predict the redox potential of 42 phenolic antioxidants. The structures of all compounds optimized by the AM1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. Subsequently, stepwise multilinear regression was applied to select the mos...

Oxidation of sulfide-containing ores is the main cause of Acid Mine Drainage (AMD), which is an environmental problem associated with both the abandoned and active mines. Iron-bearing sulfide minerals can be oxidized and form mine waters with high sulfate content, low pH, high electrical conductivity, high redox potential, and high concentrations of iron, aluminum, and other heavy metals. In th...

The activities and side effects of 5-lipoxygenase (5-LO) inhibitors can be predicted by identifying their redox mechanisms. In this study, we developed a fluorescence-based method to measure the redox potential of 5-LO inhibitors and compared it to the conventional, absorbance-based method. After the pseudo-peroxidase reaction, the amount of remaining lipid peroxide was quantified using the H2D...

This study evaluates the effects of different additives such as silver ion, medium and energy sources on the efficiency of mixed moderate thermophilic bioleaching approach to extract Cu, Mo and Re from molybdenite concentrate containing 0.98% Cu, 1.56% Fe, 53.84% Mo, and 0.055% Re. Molybdenite was the major phase of Mo-bearing mineral and chalcopyrite, covellite and pyrite were distinguished as...