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- W2103397369 endingPage "11792" @default.
- W2103397369 startingPage "11784" @default.
- W2103397369 abstract "We performed 200 ns MD simulations of phosphatidylcholine (PC) bilayers in the liquid crystalline (Lα) and gel (Lβ′) states to compare the properties of the water-membrane interfaces in these two thermotropic bilayer phases. Our simulations show that the membrane phase determines the behavior of water, ions, and PC head groups. When the membrane was in the gel phase, we found partial dehydration (fewer PC−water interactions), particularly in the carbonyl groups region, as well as an almost complete lack of ionic penetration into this region as compared with the bilayer in the liquid-crystalline phase. In the latter case, there is an exchange of Na+ ions between the water layer and the interfacial region. This is mainly due to the fact that the most stable binding of Na+ in the liquid-crystalline bilayer is to the carbonyl groups. The lack of Na+ binding to the carbonyl groups in the gel phase bilayer can be explained by the more compact structure of the bilayer in this phase." @default.
- W2103397369 created "2016-06-24" @default.
- W2103397369 creator A5029212835 @default.
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- W2103397369 creator A5029642668 @default.
- W2103397369 creator A5034852833 @default.
- W2103397369 creator A5057870224 @default.
- W2103397369 date "2010-08-20" @default.
- W2103397369 modified "2023-10-17" @default.
- W2103397369 title "Effects of the Lipid Bilayer Phase State on the Water Membrane Interface" @default.
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- W2103397369 doi "https://doi.org/10.1021/jp104739a" @default.
- W2103397369 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20726538" @default.
- W2103397369 hasPublicationYear "2010" @default.
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