LanguageTerm (authority = ISO 639-3:2007); (type = text)
English
Abstract (type = abstract)
Cholesterol 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.
Subject (authority = RUETD)
Topic
Computational and Integrative Biology
Subject (authority = LCSH)
Topic
Cholesterol
Subject (authority = LCSH)
Topic
Phospholipids
Subject (authority = LCSH)
Topic
Bilayer lipid membranes
RelatedItem (type = host)
TitleInfo
Title
Rutgers University Electronic Theses and Dissertations
Identifier (type = RULIB)
ETD
Identifier
ETD_10256
PhysicalDescription
Form (authority = gmd)
InternetMediaType
application/pdf
InternetMediaType
text/xml
Extent
1 online resource (v, 25 pages) : illustrations
Note (type = degree)
M.S.
Note (type = bibliography)
Includes bibliographical references
RelatedItem (type = host)
TitleInfo
Title
Camden Graduate School Electronic Theses and Dissertations
Identifier (type = local)
rucore10005600001
Location
PhysicalLocation (authority = marcorg); (displayLabel = Rutgers, The State University of New Jersey)
I hereby grant to the Rutgers University Libraries and to my school the non-exclusive right to archive, reproduce and distribute my thesis or dissertation, in whole or in part, and/or my abstract, in whole or in part, in and from an electronic format, subject to the release date subsequently stipulated in this submittal form and approved by my school. I represent and stipulate that the thesis or dissertation and its abstract are my original work, that they do not infringe or violate any rights of others, and that I make these grants as the sole owner of the rights to my thesis or dissertation and its abstract. I represent that I have obtained written permissions, when necessary, from the owner(s) of each third party copyrighted matter to be included in my thesis or dissertation and will supply copies of such upon request by my school. I acknowledge that RU ETD and my school will not distribute my thesis or dissertation or its abstract if, in their reasonable judgment, they believe all such rights have not been secured. I acknowledge that I retain ownership rights to the copyright of my work. I also retain the right to use all or part of this thesis or dissertation in future works, such as articles or books.