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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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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)].
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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