Lateral Diffusion of Flexible Lipid Chains. A Dynamic Monte-Carlo stud...
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Lateral Diffusion of Flexible Lipid Chains. A Dynamic Monte-Carlo study.
Sintes T., A. Baumgartner, and Y. K. Levine
Intl. J. of Modern Phys. C 10, 341-354 (1999)
Recent experimental studies of lateral diffusion of lipid molecules in bilayers using single-molecule detection techniques (Schütz et al., 1997. {sl Biophysical J.} 73:1073-1080), gave rise to speculation about confinement effects due to anomalous diffusion. Here we report a computer simulation study of the lateral diffusion of conformationally disordered lipid monolecules in a monolayer structure. Simulations were performed using dynamic Monte Carlo methods employing two different representations of the internal motions of the lipid chains. No evidence for anomalous diffusion effects are found in the homogeneous monolayer studied.The classical Cohen-Turnbulltheory is found to provide a good description of the simulated lateral diffusion coefficients at high densities, above a certain threshold $c^*$. At densities $c < c^*$, where the diffusion of the flexible lipids is governed by their "soft core" repulsion, we found an entropically activated diffusion according to $D sim exp(- gamma sqrt{c})$ over a large concentration regime $0.03 < c < 0.6$. The consequences of the prsent findings are discussed with respect to experiments.
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