Structure and dynamics of hydrated ions

Article Abstract:

The structure of the hydrated ions is determined and its dynamics is explored using scattering, spectroscopic and computer methods. The structure of the ions is classified according to the mode of observation, namely: static structure, dynamics-based structure and energy-based structure. Results indicate that the structure of the hydrated ions are best obtained through diffraction techniques and computer simulation methods which are also found to be both applicable to structural determination of nonaqueos solutions.

Spectrum analysis, Spectroscopy, Scattering (Physics), Hydrates

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The crystal/liquid interface: structure and properties from computer simulation

Article Abstract:

The application of computer simulation techniques in the analysis of crystal/liquid interfaces showed that the interfacial region's width and excess free energy did not depend on the position of the surfaces. The packing configuration of the interfaces caused the variation in the density profile widths of the crystals. Moreover, additional studies involving ice/water and silicon interfaces were conducted to further characterize the nature of crystal/liquid interfaces.

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Protein-protein interactions: interface structure, binding thermodynamics, and mutational analysis

Article Abstract:

Common structural aspects of protein-protein complexes interfaces were investigated. The thermodynamics and mutational studies of protein-protein interactions were also reported. Mutagenesis of protein-protein interfaces residues revealed several critical factors of complex formation. It was found that interfaces significantly compose the surface of the monomers involved in a protein-protein complex.

Protein folding, Thermodynamics

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