On the effect of a point mutation on the reactivity of CuZn superoxide dismutase: A theoretical study

Article Abstract:

The effect of a point mutation on the enzymatic activity of copper-zinc superoxide dismutase CuZn, which was studied by means of a theoretical-computational procedure, was investigated. The data revealed the mechanical-dynamical architecture of the enzyme, altered by an apparently irrelevant mutation, suggesting a possible atomic-molecular-based explanation for the mutant-pathology correlation.

Chemical reactions, Copper compounds, Superoxide dismutase, Zinc compounds, Chemical properties

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On the use of the Quasi-Gaussian entropy in systems of polyatomic flexible molecules

Article Abstract:

The use of quasi-Gaussian entropy (QGE) theory in treating systems of polyatomic flexible molecules, where the usual semigrid description may not be appropriate shown. The ability of the theory to describe intramolecular energy fluctuations and conformational equilibria of purely classical molecules in the ideal gas condition is also examined.

Usage, Chemistry, Physical and theoretical, Physical chemistry, Molecules, Entropy (Physics), Entropy (Thermodynamics)

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Dielectric relaxation of water absorbed in porous glass

Article Abstract:

The investigation of the water absorbed on the inner surface of porous glass was conducted by applying the dielectric spectroscopy method. The results suggest that the confined geometry and the water molecule interactions with the inner porous surface affected the first relaxation process and the second relaxation process.

STONE, CLAY, AND GLASS PRODUCTS, Glass Products, Glass and Glass Product Manufacturing, Glass, Thermal properties, Porous materials, Dielectric relaxation

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