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Science 8 October 1993:
Vol. 262. no. 5131, pp. 223 - 226
DOI: 10.1126/science.8211140
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Articles
Science, Vol 262, Issue 5131, 223-226
Copyright © 1993 by American Association for the Advancement of Science
Molecular dynamics simulations of a lipid bilayer and of hexadecane: an investigation of membrane fluidity
RM Venable,
Y Zhang,
BJ Hardy,
and
RW Pastor
Biophysics Laboratory, Food and Drug Administration, Bethesda, MD 20892.
Molecular dynamics simulations of a fluid-phase dipalmitoyl phosphatidylcholine lipid bilayer in water and of neat hexadecane are reported and compared with nuclear magnetic resonance spin-lattice relaxation and quasi-elastic neutron scattering data. On the 100-picosecond time scale of the present simulations, there is effectively no difference in the reorientational dynamics of the carbons in the membrane interior and in pure hexadecane. Given that the calculated fast reorientational correlation times and the "microscopic" lateral diffusion of the lipids show excellent agreement with the experimental results, it is concluded that the apparently high viscosity of the membrane is more closely related to molecular interactions on the surface rather than in the interior.
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