Model for the structure of the lipid bilayer

Proc Natl Acad Sci U S A. 1991 Feb 1;88(3):892-6. doi: 10.1073/pnas.88.3.892.

Abstract

A detailed model for the structure and dynamics of the interior of the lipid bilayer in the liquid crystal phase is presented. The model includes two classes of motion: (i) the internal dynamics of the chains, determined from Brownian dynamics simulations with a continuous version of the Marcelja mean-field potential, and (ii) noncollective reorientation (axial rotation and wobble) of the entire molecule, introduced by a cone model. The basic unit of the model is a single lipid chain with field parameters adjusted to fit the 2H order parameters and the frequency-dependent 13C NMR T1 relaxation times of dipalmitoyl phosphatidylcholine bilayers. The chain configurations obtained from the trajectory are used to construct a representation of the bilayer. The resulting lipid assembly is consistent with NMR, neutron diffraction, surface area, and density data. It indicates that a high degree of chain disorder and entanglement exists in biological membranes.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • 1,2-Dipalmitoylphosphatidylcholine / chemistry
  • Deuterium
  • Lipid Bilayers*
  • Magnetic Resonance Spectroscopy
  • Models, Molecular*
  • Molecular Conformation
  • Thermodynamics

Substances

  • Lipid Bilayers
  • 1,2-Dipalmitoylphosphatidylcholine
  • Deuterium