14653758

Source:http://linkedlifedata.com/resource/pubmed/id/14653758

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Predicate	Object
rdf:type	pubmed:Citation
lifeskim:mentions	umls-concept:C0031676, umls-concept:C0678594, umls-concept:C1522492, umls-concept:C1622418, umls-concept:C2717775
pubmed:issue	49
pubmed:dateCreated	2003-12-5
pubmed:abstractText	Here, we use coarse grained molecular dynamics (MD) simulations to study the spontaneous aggregation of dipalmitoylphosphatidylcholine (DPPC) lipids into small unilamellar vesicles. We show that the aggregation process occurs on a nanosecond time scale, with bicelles and cuplike vesicles formed at intermediate stages. Formation of hemifused vesicles is also observed at higher lipid concentration. With either 25% dipalmitoylphosphatidylethanolamine (DPPE) or lysoPC mixed into the system, the final stages of the aggregation process occur significantly faster. The structure of the spontaneously formed vesicles is analyzed in detail. Microsecond simulations of isolated vesicles reveal significant differences in the packing of the lipids between the inner and outer monolayers, and between PC, PE, and lysoPC. Due to the small size of the vesicles they remain almost perfectly spherical, undergoing very limited shape fluctuations or bilayer undulations. The lipid lateral diffusion rate is found to be faster in the outer than in the inner monolayer. The water permeability coefficient of the pure DPPC vesicles is of the order of 10(-)(3) cm s(-)(1), in agreement with experimental measurements.
pubmed:language	eng
pubmed:journal	http://linkedlifedata.com/resource/pubmed/journal/7503056
pubmed:citationSubset	IM
pubmed:chemical	http://linkedlifedata.com/resource/pubmed/chemical/1,2-Dipalmitoylphosphatidylcholine, http://linkedlifedata.com/resource/pubmed/chemical/Liposomes, http://linkedlifedata.com/resource/pubmed/chemical/Phospholipids
pubmed:status	MEDLINE
pubmed:month	Dec
pubmed:issn	0002-7863
pubmed:author	pubmed-author:MarkAlan EAE, pubmed-author:MarrinkSiewert JSJ
pubmed:issnType	Print
pubmed:day	10
pubmed:volume	125
pubmed:owner	NLM
pubmed:authorsComplete	Y
pubmed:pagination	15233-42
pubmed:meshHeading	pubmed-meshheading:14653758-1,2-Dipalmitoylphosphatidylcholine, pubmed-meshheading:14653758-Computer Simulation, pubmed-meshheading:14653758-Liposomes, pubmed-meshheading:14653758-Models, Chemical, pubmed-meshheading:14653758-Phospholipids
pubmed:year	2003
pubmed:articleTitle	Molecular dynamics simulation of the formation, structure, and dynamics of small phospholipid vesicles.
pubmed:affiliation	Department of Biophysical Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen. marrink@chem.rug.nl
pubmed:publicationType	Journal Article