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The effect of phospholipid species on non-ideal behavior in cholesterol-containing bilayers
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Ma, Rulong. The effect of phospholipid species on non-ideal behavior in cholesterol-containing bilayers. Retrieved from https://doi.org/doi:10.7282/t3-tqwq-rg27

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TitleThe effect of phospholipid species on non-ideal behavior in cholesterol-containing bilayers
NameMa, Rulong (author); Brannigan, Grace (chair); Klein, Eric (internal member); Lamoureux, Guillaume (internal member); Rutgers University; Camden Graduate School
Date Created2019
Other Date2019-10 (degree)
SubjectComputational and Integrative Biology, Cholesterol, Phospholipids, Bilayer lipid membranes
Extent1 online resource (v, 25 pages) : illustrations
DescriptionCholesterol plays an essential role in membrane properties, such as viscoelasticity and phase separation. However, the effects of phospholipid species on cholesterol in bilayer were not well studied. Here, we study the effects of phospholipids on cholesterol in the bilayer by calculating average lipid lateral area, cholesterol bulk/gas partition coefficient and cholesterol free energy using Alchemical Free Energy Perturbation by decoupling in molecular dynamics simulations. We found that the larger headgroups of the phospholipids, the higher energy of removing cholesterol from the bilayer. Cholesterol has a more substantial bulk/gas partition coefficient in phosphatidylcholine (PC) bilayers than phosphatidylethanolamine (PE) bilayers. The longer saturated hydrocarbon chains, the higher energy of removing cholesterol from the bilayer. However, the higher chains’ degree of unsaturation, the less free energy of cholesterol in the bilayer. The quadratic mixture model works well for lateral lipid area but the free energy of cholesterol in the bilayer.
NoteM.S.
NoteIncludes bibliographical references
Genretheses, ETD graduate
Persistent URLhttps://doi.org/doi:10.7282/t3-tqwq-rg27
LanguageEnglish
CollectionCamden Graduate School Electronic Theses and Dissertations
Organization NameRutgers, The State University of New Jersey
RightsThe author owns the copyright to this work.
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