A molecular dynamics study of aggregation phenomena in aqueous n-propanol

Article Abstract:

The analysis of molecular dynamics shows that at 16 percent mole fraction, n-propanol forms an amorphous micelle centered around a hydrogen-bonded chain structure resembling the pure n-propanol structure. The low-frequency Raman studies of various concentrations of aqueous n-propanol indicates that at room temperature both water and n-propanol form single-component aggregates in solution.

All Other Basic Organic Chemical Manufacturing, Industrial Organic Chemicals, Propanols, Micelles

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Peroxidase site of prostaglandin endoperoxide H synthase-1: Docking and molecular dynamics studies with a prostaglandin endoperoxide analog

Article Abstract:

A study is conducted to find a configuration of pseudo-PGG2 that could be viewed as catalytically component on the basis of the push-pull mechanism of peroxidase activity, which requires the peroxide oxygenEs of the substrate to be within litigation distance of the hemeiron and for the alpha-peroxide oxygen to be able to hydrogen bond to the distal residues His207 and Gln203.

Science & research, Research, Peroxidase, Cyclooxygenases

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