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Article

Dipolar Ordering in the Ripple Phases of Molecular-Scale Models of Lipid Membranes

Xiuquan Sun and J. Daniel Gezelter*

Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556

J. Phys. Chem. B, 2008, 112 (7), pp 1968–1975

DOI: 10.1021/jp0762020

Publication Date (Web): January 29, 2008

In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

Abstract

Symmetric and asymmetric ripple phases have been observed to form in molecular dynamics simulations of a simple molecular-scale lipid model. The lipid model consists of an dipolar head group and an ellipsoidal tail. Within the limits of this model, an explanation for generalized membrane curvature is a simple mismatch in the size of the heads with the width of the molecular bodies. The persistence of a bilayer structure requires strong attractive forces between the head groups. One feature of this model is that an energetically favorable orientational ordering of the dipoles can be achieved by out-of-plane membrane corrugation. The corrugation of the surface stabilizes the long range orientational ordering for the dipoles in the head groups which then adopt a bulk anti-ferroelectric state. We observe a common feature of the corrugated dipolar membranes: the wave vectors for the surface ripples are always found to be perpendicular to the dipole director axis.

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History

Published In Issue February 21, 2008
Received August 2, 2007
Revised November 1, 2007

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Article

Dipolar Ordering in the Ripple Phases of Molecular-Scale Models of Lipid Membranes