Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
6
pubmed:dateCreated
2004-6-10
pubmed:abstractText
The association between monovalent salts and neutral lipid bilayers is known to influence global bilayer structural properties such as headgroup conformational fluctuations and the dipole potential. The local influence of the ions, however, has been unknown due to limited structural resolution of experimental methods. Molecular dynamics simulations are used here to elucidate local structural rearrangements upon association of a series of monovalent Na(+) salts to a palmitoyl-oleoyl-phosphatidylcholine bilayer. We observe association of all ion types in the interfacial region. Larger anions, which are meant to rationalize data regarding a Hofmeister series of anions, bind more deeply within the bilayer than either Cl(-) or Na(+). Although the simulations are able to reproduce experimentally measured quantities, the analysis is focused on local properties currently invisible to experiments, which may be critical to biological systems. As such, for all ion types, including Cl(-), we show local ion-induced perturbations to headgroup tilt, the extent and direction of which is sensitive to ion charge and size. Additionally, we report salt-induced ordering of the water well beyond the interfacial region, which may be significant in terms of hydration repulsion between stacked bilayers.
pubmed:commentsCorrections
http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-10049307, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-10233076, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-10410799, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-1062955, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-10866968, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-10981639, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-11409463, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-11548125, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-115493, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-1250410, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-12770880, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-12862466, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-12869755, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-12944269, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-12944279, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-14623455, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-14664617, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-1600081, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-166694, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-1734958, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-2021641, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-2223761, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-2427111, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-2582128, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-2836100, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-288063, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-3196682, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-3322401, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-3691530, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-3814579, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-4063343, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-5875322, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-6164391, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-6498158, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-698192, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-7183336, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-7225357, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-7756540, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-7858124, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-8033284, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-8538786, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-9414205, http://linkedlifedata.com/resource/pubmed/commentcorrection/15189873-9746520
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jun
pubmed:issn
0006-3495
pubmed:author
pubmed:issnType
Print
pubmed:volume
86
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
3772-82
pubmed:dateRevised
2009-11-18
pubmed:meshHeading
pubmed:year
2004
pubmed:articleTitle
Changes in phosphatidylcholine headgroup tilt and water order induced by monovalent salts: molecular dynamics simulations.
pubmed:affiliation
Department of Biomedical Engineering, The Johns Hopkins University School of Medicine, Baltimore, Maryland 21205, USA.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't