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Areas of molecules in membranes consisting of mixtures
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Theoretical Biological Physics.ORCID iD: 0000-0002-7448-4664
2005 (English)In: Biophysical Journal, ISSN 0006-3495, E-ISSN 1542-0086, Vol. 89, no 3, 1827-1832 p.Article in journal (Refereed) Published
Abstract [en]

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 de. ne 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.

Place, publisher, year, edition, pages
2005. Vol. 89, no 3, 1827-1832 p.
Keyword [en]
cholesterol lipid bilayers, combined monte-carlo, dynamics simulation, model membranes, phase dmpc, region
URN: urn:nbn:se:kth:diva-14998DOI: 10.1529/biophysj.105.064329ISI: 000231502800038ScopusID: 2-s2.0-24144488293OAI: diva2:333039
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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Edholm, Olle
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