Redox activity and diffusion of hydrophilic, hydrophobic, and amphiphilic redox active molecules in a biscontinuous cubic phase

Article Abstract:

A study is conducted to show that molecules with different properties such as hydrophilic, hydrophobic and basophilic are still redox active while incorporated in the cubic phase. A hydrophobic molecule will prefer the interior of the membrane, a hydrophilic molecule will prefer the water channels, and an amphilic molecule will be situated with its headgroup at the surface of the membrane and its tail in the interior.

Observations, Oxidation-reduction reaction, Oxidation-reduction reactions, Basophils

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The binomial cell model of hydrophobic solvation

Article Abstract:

The binomial distribution law for a number of solvent particles occupying a given void of excluded volume (a cavity) which arises in a bulk solvent as a fluctuation is derived on the basis of the cell model of dense fluids. This approach fro treating cavitation effects efficiently covers a large range of cavity volumes nu's [10(super 2) angstron(super 3) < nu <10(super 3) angstron(super 3)].

Chemistry, Physical and theoretical, Physical chemistry, Solvation, Solvents, Chemical properties

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Cavitation free energy for organic molecules having various sizes and shapes

Article Abstract:

The cavitation free energies computed for a large and varied set of organic molecules by using thermodynamic integration procedure with Monte Carlo sampling is presented. The calculated values of cavitation free energies were approximated as linear functions of the volume (V) or surface area (S) for the corresponding solute cavities.

Usage, Measurement, Cavitation, Thermodynamics, Gibbs' free energy, Monte Carlo method, Monte Carlo methods

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