The binary mixing behavior of phospholipids in a bilayer: A molecular dynamics study

de Vries, A. H., Mark, A. E. and Marrink, S. J. (2004) The binary mixing behavior of phospholipids in a bilayer: A molecular dynamics study. Journal of Physical Chemistry B, 108 7: 2454-2463. doi:10.1021/jp0366926


Author de Vries, A. H.
Mark, A. E.
Marrink, S. J.
Title The binary mixing behavior of phospholipids in a bilayer: A molecular dynamics study
Journal name Journal of Physical Chemistry B   Check publisher's open access policy
ISSN 1520-6106
Publication date 2004-01-01
Sub-type Article (original research)
DOI 10.1021/jp0366926
Volume 108
Issue 7
Start page 2454
End page 2463
Total pages 10
Place of publication Washington
Publisher American Chemical Society
Language eng
Abstract Molecular dynamics simulations have been used to study the properties of mixed dioleoylphosphatidylcholine/ dioleoylphospatidylethanolamine bilayers as a function of phosphatidylcholine (PC)/phosphatidylethanolamine (PE) head-roup composition. The equilibrium properties of mixed PC/PE bilayers were found to be nonlinear in the composition. The properties studied show saturation behavior at a PC/PE ratio of 1:3. The effect of adding small amounts of PE to PC bilayers is a strong reduction of the area of the bilayer. The effect of adding small amounts of PC to PE bilayers is an increased hydration of the PC headgroups compared to PC hydration in pure PC bilayers. Nearest-neighbor analysis did not indicate lateral ordering of the lipids for any mixture. The observed trends are discussed in terms of the size of, and the interactions between, PC and PE headgroups.
Keyword Chemistry, Physical
X-ray-diffraction
Lipid-bilayer
Phosphatidylcholine/phosphatidylethanolamine Bilayers
Biological-membranes
Lateral Diffusion
Constant-pressure
Order Parameters
Hydration Forces
Model Membranes
H-2 Nmr
Q-Index Code C1

Document type: Journal Article
Sub-type: Article (original research)
Collections: Excellence in Research Australia (ERA) - Collection
School of Chemistry and Molecular Biosciences
 
Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 80 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 0 times in Scopus Article
Google Scholar Search Google Scholar
Created: Thu, 20 Sep 2007, 04:45:14 EST