The reaction centers (RC) of Chloroflexus aurantiacus and Rhodobacter sphaeroidesH(M182)L mutant were investigated. Prediction for electron transfer (ET) at very low temperatures was also performed. To describe the kinetics of the C. aurantiacus RCs, the incoherent model of electron transfer was used. It was shown that the asymmetry in electronic coupling parameters must be included to explain ...

In this study, reactions of the simple cycloalkynes with substituted Nitrile Oxides, by DFT method will be discussed. The investigation of the structural properties, theoretical thermodynamic and kinetic data, i.e., the activation free energies(DG*), the free energies changes of reaction(DrG) and rate constants of the reactions (k) in 298 K and effects of Electron-withdrawing and...

The study examined corrosion inhibition of corrosion inhibition of 5-methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxaldehyde on mild steel in acidic medium using weight loss and Density Functional Theory (DFT) methods. DFT calculations were carried out at B3LYP/6-31+G** level of theory in aqueous medium on the molecular structures to describe electronic parameters. The values of ther...

The study examined corrosion inhibition of corrosion inhibition of 5-methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxaldehyde on mild steel in acidic medium using weight loss and Density Functional Theory (DFT) methods. DFT calculations were carried out at B3LYP/6-31+G** level of theory in aqueous medium on the molecular structures to describe electronic parameters. The values of ther...

bioactive food components (such as phenolic compounds, carotenoids, anthocyanins, tochopherols, ascorbic acid, flavonoids, minerals, enzymes and pectin) are active ingredients in food or dietary supplements, which proven to have an important role in health, and are safe for human consumption. these compounds exert their antioxidant effects by different mechanisms such as single electron transfe...

In the present study, the conjugate turbulent free convection with the thermal surface radiation in a rectangular enclosure bounded by walls with different thermophysical characteristics in the presence of a local heater is numerically studied. The effects of surface emissivity and wall materials on the air flow and the heat transfer characteristics are the main focus of the present investigati...

the purpose of present study was investigation of the effect of attentional focus of novice players’ self-statements in basketball free throw practice on their state anxiety in transfer test with spectators’ presence. therefore, 38 novice females (mean of the age=22 yrs.) who had intermediate trait anxiety were selected randomly by sports competitive anxiety test (scat). the participants were a...