Dynamical properties
Article Abstract:
A study was conducted to analyze the conformation, translational and rotational properties of 1,2-dimethoxyethane/water solutions as a function of composition. The residence time of water molecules near 1,2-dimethoxyethane was determined to analyze the mechanisms and factors affecting translation dynamics. Results indicated that decreases in the conformational transition rates for the C-O-C and O-C-C-O bonds correlated with increases in water content.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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Passive transport of [C.sub.60] fullerenes through a lipid membrane: a molecular dynamics simulation study
Article Abstract:
The interaction and passive transport of fullerenes through lipid membranes is studied by atomistic molecular dynamic simulations of [C.sub.60] fullerene in fully hydrated di-myristoyl-phoshatidylcholine membrane. The passage of fullerene from the aqueous phase to the hydrophobic core of the membrane results in decrease of free energy due to strong van der Waals dispersion interactions between fullerene and the membrane.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
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