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Biophys. J. BioFAST: First Published July 1, 2005. doi:10.1529/biophysj.105.064329
© 2005 by the Biophysical Society.

A more recent version of this article appeared on September 1, 2005.
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MEMBRANES

Areas of Molecules in Membranes Consisting of Mixtures

Olle Edholm 1* and John F Nagle 2

1 Royal Institute of Technology
2 Carnegie Mellon University

* To whom correspondence should be addressed. E-mail: oed{at}theophys.kth.se.

Submitted on April 11, 2005
Revised on May 24, 2005
Accepted on 14 June 2005


  Abstract
The question has arisen in recent literature: how to partition the total area in simulations of membranes consisting of more than one kind of molecule into average areas for each kind of molecule. Several definitions have been proposed, each of which has arbitrary features. When applied to mixtures of cholesterol and DPPC, these definitions give different results. This note recalls that physical chemistry provides a canonical way to define molecular area, in analogy to the definition of partial specific volume. Results for partial specific area are obtained from simulations of DPPC/cholesterol bilayers and compared to the results from the other recent definitions. The partial specific area formalism dramatically demonstrates the condensing effect of cholesterol and this leads to the introduction of a specific model that accounts for the area of mixtures of cholesterol and lipid over the entire range of cholesterol concentrations.

Key Words: Cholesterol, DPPC, partial specific areas




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