The Effect of Cholesterol in SOPC Lipid Bilayers at Low Temperatures

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creativework.keywordsatomistic molecular dynamics, cholesterol, membranes, Slipids Force Field, SOPC lipid
creativework.publisherMDPIen
dc.contributor.authorIvanova N.
dc.contributor.authorChamati H.
dc.date.accessioned2024-07-10T14:27:05Z
dc.date.accessioned2024-07-10T14:50:37Z
dc.date.available2024-07-10T14:27:05Z
dc.date.available2024-07-10T14:50:37Z
dc.date.issued2023-03-01
dc.description.abstractWe study the behavior of lipid bilayers composed of SOPC (1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine) with different concentrations of cholesterol, ranging from 10 mol% to 50 mol% at 273 K. To this end, we carry out extensive atomistic molecular dynamic simulations with the aid of the Slipid force field aiming at computing basic bilayer parameters, as well as thermodynamic properties and structural characteristics. The obtained results are compared to available relevant experimental data and the outcome of atomistic simulations performed on bilayers composed of analogous phospholipids. Our results show a good quantitative, as well as qualitative, agreement with the main trends associated with the concentration increase in cholesterol. Moreover, it comes out that a change in the behavior of the bilayer is brought about at a concentration of about 30 mol% cholesterol. At this very concentration, some of the bilayer properties are found to exhibit a saturation and a significant long-range ordering of the lipid molecules in the membrane shows up.
dc.identifier.doi10.3390/membranes13030275
dc.identifier.issn2077-0375
dc.identifier.scopusSCOPUS_ID:85151545603en
dc.identifier.urihttps://rlib.uctm.edu/handle/123456789/813
dc.language.isoen
dc.source.urihttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85151545603&origin=inward
dc.titleThe Effect of Cholesterol in SOPC Lipid Bilayers at Low Temperatures
dc.typeArticle
oaire.citation.issue3
oaire.citation.volume13
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