1. Simulation of domain formation in DLPC-DSPC mixed bilayers
- Author
-
Roland Faller, Siewert-Jan Marrink, Moleculaire Dynamica, Faculty of Science and Engineering, and Groningen Biomolecular Sciences and Biotechnology
- Subjects
Models, Molecular ,Phase transition ,MOLECULAR-DYNAMICS SIMULATIONS ,Surface Properties ,Analytical chemistry ,MEMBRANES ,Phase Transition ,Domain formation ,COMPUTER-SIMULATION ,Quantitative Biology::Subcellular Processes ,Membrane Lipids ,Membrane Microdomains ,Liquid state ,Electrochemistry ,General Materials Science ,Lipid bilayer phase behavior ,Lipid bilayer ,LIPID-BILAYERS ,GeneralLiterature_REFERENCE(e.g.,dictionaries,encyclopedias,glossaries) ,Spectroscopy ,chemistry.chemical_classification ,Physics::Biological Physics ,COARSE-GRAINED MODELS ,Bilayer ,digestive, oral, and skin physiology ,Temperature ,MIXTURES ,MICROSCOPY ,Surfaces and Interfaces ,Polymer ,Condensed Matter Physics ,Condensed Matter::Soft Condensed Matter ,Membrane ,chemistry ,Chemical physics ,Phosphatidylcholines ,ComputingMethodologies_DOCUMENTANDTEXTPROCESSING ,SEPARATION ,POLYMERS ,Dimyristoylphosphatidylcholine ,PHOSPHOLIPID-BILAYERS - Abstract
Binary mixtures of two phosphatidylcholines of different chain lengths are simulated in the bilayer state. We find a phase transition between a liquid state and a gel state at all concentrations. This phase transition is characterized by the area per lipid headgroup, the order parameter, and a change in dynamics. At concentrations with a majority of the longer lipid, we find phase separation into a gel and a liquid state in a small temperature window. This leads to a strong dynamic heterogeneity. Experimental phase transition temperatures are reproduced semiquantitatively. We see a clear shift in the phase transition to higher temperatures with increasing concentration of the longer lipid.
- Published
- 2004