Communication: consistent picture of lateral subdiffusion in lipid bilayers: molecular dynamics simulation and exact results - Archive ouverte HAL
Article Dans Une Revue The Journal of Chemical Physics Année : 2011

Communication: consistent picture of lateral subdiffusion in lipid bilayers: molecular dynamics simulation and exact results

K. Baczynski
  • Fonction : Auteur
M. Pasenkiewicz-Gierula
  • Fonction : Auteur

Résumé

This communication presents a molecular dynamics simulation study of a bilayer consisting of 128 dioleoyl-sn-glycero-3-phosphocholine molecules, which focusses on the center-of-mass diffusion of the lipid molecules parallel to the membrane plane. The analysis of the simulation results is performed within the framework of the generalized Langevin equation and leads to a consistent picture of subdiffusion. The mean square displacement of the lipid molecules evolves as ∝ t(α), with α between 0.5 and 0.6, and the fractional diffusion coefficient is close to the experimental value for a similar system obtained by fluorescence correlation spectroscopy. We show that the long-time tails of the lateral velocity autocorrelation function and the associated memory function agree well with exact results which have been recently derived by asymptotic analysis [G. Kneller, J. Chem. Phys. 134, 224106 (2011)]. In this context, we define characteristic time scales for these two quantities.

Dates et versions

hal-00720633 , version 1 (25-07-2012)

Identifiants

Citer

G.R. Kneller, K. Baczynski, M. Pasenkiewicz-Gierula. Communication: consistent picture of lateral subdiffusion in lipid bilayers: molecular dynamics simulation and exact results. The Journal of Chemical Physics, 2011, 135 (14), pp.141105. ⟨10.1063/1.3651800⟩. ⟨hal-00720633⟩
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