Study of cholesterol in tethered membrane using coarse grained molecular dynamics simulations
department or school: Applied Science, Faculty of
department or school: Electrical and Computer Engineering, Department of
data provider: DSpace
degree campus: UBCV
creator: Duan, Yan
issued: 2015-10-24T05:39:21
issued: 2015
related degree: Master of Applied Science - MASc
degree grantor: University of British Columbia
description: This work presents a study of cholesterol's effects on archaebacterial cell membranes using coarse grain molecular dynamic simulations. As a major component in biological membranes, cholesterol is closely related to the dynamics of lipids and biomechanical properties of the membrane. A coarse grained molecular dynamics (CGMD) model is constructed to study the membrane properties. The CMGD model provides insights into the diffusion dynamics of lipids, membrane thickness, line tension, and surface tension as a function of cholesterol content. The CGMD simulation results are validated using experimental measurements from a tethered archaebacterial bilayer lipid membrane. The membrane is tethered to an inert gold bioelectronic interface, which allows the experimental measurements to be performed using standard laboratory equipments. A fractional order macroscopic model is introduced to link microscopic simulation results with macroscopic experimental measurements. To ensure the bioelectronic interface does not affect the membrane dynamics and biomechanics, it is shown that variations in the position dependent water density are negligible near the surface of the membrane. Furthermore, the Percus-Yevick equation is used to confirm that harsh repulsive forces play a negligible role in the long range dynamics of the water density profile.
aggregated CHO: https://circle.library.ubc.ca/rest/handle/2429/54885
note: Study of Cholesterol in TetheredMembrane Using Coarse-GrainedMolecular Dynamics SimulationsbyYan DuanB.Sc in Engineering Physics, The University of Alberta, 2014A THESIS SUBMITTED IN PARTIAL FULFILLMENT OFTHE REQUIREMENTS FOR THE DEGREE OFMASTER OF APPLIED SCIENCEinThe Faculty of Graduate and Postdoctoral Studies(Electrical and Computer Engineering)THE UNIVERSITY OF BRITISH COLUMBIA(Vancouver)September 2015c Yan Duan 2015AbstractThis thesis presents a study of cholesterol's e ects on archaebacterial cellmembranes using coarse grain molecular dynamic simulations. As a majorcomponent in biological membranes, cholesterol is closely related to the dy-namics of lipids and biomechanical properties of the membrane. A coarsegrained molecular dynamics (CGMD) model is constructed to study themembrane properties. The CMGD model provides insights into the dif-fusion dynamics of lipids, membrane thickness, line tension, and surfacetension corresponding to di erent cholesterol levels. The CGMD simulationresults are validated using experimental measurements from a tethered ar-chaebacterial bilayer lipid membrane. The membrane is tethered onto aninert gold bioelctronic interface, which allows the experimental measure-ments to be performed using standard laboratory equipments. A fractionalorder macroscopic model is introduced to link microscopic simulation resultswith macroscopic experimental measurements. To ensure the bioelectronicinterface does not a ect the membrane dynamics and biomechanics, it isshown that variations in the position dependent water density are negligiblenear the surface of the membrane. Furthermore, the Percus-Yevick equationis used to con rm that harsh repulsive forces play a negligible role in thelong range dynamics of the water density pro le.iiPrefaceThis thesis consists of three main chapters. The rst chapter gives the mo-tivation of the thesis and ve levels of abstraction for cell membrane model-ing. The second chapter provides a comprehensive introducti…
has type: Thesis/Dissertation
date issued: 2015-11
is shown at: 10.14288/1.0165816
language: eng
degree discipline: Electrical and Computer Engineering
provider: Vancouver : University of British Columbia Library
publisher: University of British Columbia
rights: Attribution-NonCommercial-NoDerivs 2.5 Canada
rights URI: http://creativecommons.org/licenses/by-nc-nd/2.5/ca/
scholar level: Graduate
type: Text
identifier URI: http://hdl.handle.net/2429/54885