Active site reactant center geometry in the Co (super II)-product radical pair state of coenzyme B12-dependent ethanolamine deaminase determined by using orientation-selection electron spin-echo envelope modulation spectroscopy

Article Abstract:

The distances and orientations among reactant centers in the active site of coenzyme B12-depenedaet ethanolamine deaminase from Salmonella typhimurium are characterized in the Co11-product radical pair state by using X-band electron paramagnetic resonance and two-pulse electron spin-echo envelope modulation spectroscopies in the disordered solid state. Simulation of the EPR line shape yielded a best=-fit Co11-C2 distance of 9.3 angstrom.

Science & research, Georgia, Research, Observations, Electron paramagnetic resonance, Coenzymes

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Thermodynamics of aqueous complex solutions containing 3/1 rare earth electrolyte pairs and salting-out agents to very high concentrations

Article Abstract:

The ionic interactions and solute-solute interactions are studied in the aqueous complex solutions containing both the 3/1 rare earth electrolyte pairs and 1/1 salting-out agents to very high concentrations. The ideal-like solution (ILS) model is verified by the isopiestic osmotic coefficient measurements and by the Pitzer model calculations for the N[H.sub.4]N[O.sub.3]-saturated quaternary systems.

Thermal properties, Thermodynamics, Solvation, Electrolytes

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Molecular dynamics study of ethanolamine as a pure liquid and in aqueous solution

Article Abstract:

Molecular dynamics simulations are carried out for ethanolamine as a pure liquid and in aqueous solution. The results have indicated that ethanolamine dimer formation in aqueous solution is very limited and C[O.sub.2] has a comparable level of attraction to ethanoline and water.

Water, Quantum theory, Quantum mechanics, Molecular dynamics

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