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Cholesterol induces specific spatial and orientational order in cholesterol/phospholipid membranes

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Martinez-Seara, Hector
dc.contributor.author Rog, Tomasz
dc.contributor.author Karttunen, Mikko
dc.contributor.author Reigada, Ramon
dc.contributor.author Vattulainen, Ilpo
dc.date.accessioned 2017-05-11T09:03:14Z
dc.date.available 2017-05-11T09:03:14Z
dc.date.issued 2010
dc.identifier.citation Martinez-Seara , H , Rog , T , Karttunen , M , Reigada , R & Vattulainen , I 2010 , ' Cholesterol induces specific spatial and orientational order in cholesterol/phospholipid membranes ' , PloS one , vol. 5 , no. 6 , e11162 , pp. 1-11 . https://doi.org/10.1371/journal.pone.0011162 en
dc.identifier.issn 1932-6203
dc.identifier.other PURE UUID: a835c6e4-58aa-4eac-b4a6-e30e8cf5b010
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/a835c6e4-58aa-4eac-b4a6-e30e8cf5b010
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/12871031/journal.pone.0011162.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/25775
dc.description.abstract Background In lipid bilayers, cholesterol facilitates the formation of the liquid-ordered phase and enables the formation of laterally ordered structures such as lipid rafts. While these domains have an important role in a variety of cellular processes, the precise atomic-level mechanisms responsible for cholesterol's specific ordering and packing capability have remained unresolved. Methodology/Principal Findings Our atomic-scale molecular dynamics simulations reveal that this ordering and the associated packing effects in membranes largely result from cholesterol's molecular structure, which differentiates cholesterol from other sterols. We find that cholesterol molecules prefer to be located in the second coordination shell, avoiding direct cholesterol-cholesterol contacts, and form a three-fold symmetric arrangement with proximal cholesterol molecules. At larger distances, the lateral three-fold organization is broken by thermal fluctuations. For other sterols having less structural asymmetry, the three-fold arrangement is considerably lost. Conclusions/Significance We conclude that cholesterol molecules act collectively in lipid membranes. This is the main reason why the liquid-ordered phase only emerges for Chol concentrations well above 10 mol% where the collective self-organization of Chol molecules emerges spontaneously. The collective ordering process requires specific molecular-scale features that explain why different sterols have very different membrane ordering properties: the three-fold symmetry in the Chol-Chol organization arises from the cholesterol off-plane methyl groups allowing the identification of raft-promoting sterols from those that do not promote rafts. en
dc.format.extent 1-11
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries PLOS ONE en
dc.relation.ispartofseries Volume 5, issue 6 en
dc.rights openAccess en
dc.title Cholesterol induces specific spatial and orientational order in cholesterol/phospholipid membranes en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Applied Physics en
dc.subject.keyword cholesterol
dc.subject.keyword membrane
dc.subject.keyword raft
dc.subject.keyword simulation
dc.identifier.urn URN:NBN:fi:aalto-201705114150
dc.identifier.doi 10.1371/journal.pone.0011162
dc.type.version publishedVersion

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