A simulation based model of NMR T1 relaxation in lipid bilayer vesicles

Richard W. Pastor; Richard M. Venable; Martin Karplus; Attila Szabo

doi:10.1063/1.455219

journal article Jul 15, 1988

A simulation based model of NMR T1 relaxation in lipid bilayer vesicles

Richard W. Pastor

Richard M. Venable Martin Karplus Attila Szabo

The Journal of Chemical Physics Vol. 89 No. 2 pp. 1128-1140 · AIP Publishing

View at Publisher Save 10.1063/1.455219

Abstract

The results of the Brownian dynamics simulation of a hydrocarbon chain in a membrane bilayer described in the preceding paper are used to analyze the 13C NMR T1 relaxation in lipid bilayer vesicles. The analysis shows that the frequency dependence of the relaxation does not arise from gauche–trans isomerization or from axial rotation of the entire lipid molecule. However, a model in which fast axial rotation (D∥≊2×1010 s−1) and slow noncollective diffusive director fluctuations (D⊥≊1–2×108 s−1) are superimposed on the internal motions quantitatively accounts for both the magnitude and frequency dependence of the T1 data. An effective viscosity for the interior of the bilayer in the range of 1 cp, and a director order parameter of 0.5–0.7 are required to fit the NMR data. Collective effects do not appear necessary for explaining the NMR T1 data in vesicles, although they may be important for multilamellar dispersions.

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Details

Published: Jul 15, 1988
Vol/Issue: 89(2)
Pages: 1128-1140

Authors

R

Richard W. Pastor

Biophysics Laboratory, Center for Biologics Evaluation and Research, Food and Drug Administration, Bethesda, Maryland 20892

R

Richard M. Venable

Biophysics Laboratory, Center for Biologics Evaluation and Research, Food and Drug Administration, Bethesda, Maryland 20892

M

Martin Karplus

Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138

A

Attila Szabo

Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892

Cite This Article

Richard W. Pastor, Richard M. Venable, Martin Karplus, et al. (1988). A simulation based model of NMR T1 relaxation in lipid bilayer vesicles. The Journal of Chemical Physics, 89(2), 1128-1140. https://doi.org/10.1063/1.455219

A simulation based model of NMR T1 relaxation in lipid bilayer vesicles

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