eprintid: 10082304
rev_number: 27
eprint_status: archive
userid: 608
dir: disk0/10/08/23/04
datestamp: 2019-09-27 10:02:02
lastmod: 2021-09-17 22:23:45
status_changed: 2019-09-27 10:02:02
type: article
metadata_visibility: show
creators_name: Jiang, XZ
creators_name: Guo, L
creators_name: Luo, KH
creators_name: Ventikos, Y
title: Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study
ispublished: pub
divisions: UCL
divisions: B04
divisions: C05
divisions: F45
keywords: Flow, Glycocalyx, Heparan sulfate, Lipid–protein interaction, Mechanotransduction
note: This work is licensed under a Creative Commons Attribution 4.0 International License. The images
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users will need to obtain permission from the license holder to reproduce the material. To view a copy of this
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abstract: The lipid membrane of endothelial cells plays a pivotal role in maintaining normal circulatory system functions. To investigate the response of the endothelial cell membrane to changes in vascular conditions, an atomistic model of the lipid membrane interspersed with Syndecan-4 core protein was established based on experimental observations and a series of molecular dynamics simulations were undertaken. The results show that flow results in continuous deformation of the lipid membrane, and the degree of membrane deformation is not in monotonic relationship with the environmental changes (either the changes in blood velocity or the alteration of the core protein configuration). An explanation for such non-monotonic relationship is provided, which agrees with previous experimental results. The elevation of the lipid membrane surface around the core protein of the endothelial glycocalyx was also observed, which can be mainly attributed to the Coulombic interactions between the biomolecules therein. The present study demonstrates that the blood flow can deform the lipid membrane directly via the interactions between water molecules and lipid membrane atoms thereby affecting mechanosensing; it also presents an additional force transmission pathway from the flow to the lipid membrane via the glycocalyx core protein, which complements previous mechanotransduction hypothesis.
date: 2020
date_type: published
official_url: https://doi.org/10.1007/s10439-019-02353-7
oa_status: green
full_text_type: pub
language: eng
primo: open
primo_central: open_green
verified: verified_manual
elements_id: 1696320
doi: 10.1007/s10439-019-02353-7
pii: 10.1007/s10439-019-02353-7
lyricists_name: Guo, Liwei
lyricists_name: Jiang, Xizhuo
lyricists_name: Luo, Kai
lyricists_name: Ventikos, Yiannis
lyricists_id: LGUOX16
lyricists_id: XJIAN50
lyricists_id: KLUOX54
lyricists_id: YVENT41
actors_name: Kalinowski, Damian
actors_id: DKALI47
actors_role: owner
full_text_status: public
publication: Annals of Biomedical Engineering
volume: 48
pagerange: 357-366
event_location: United States
issn: 1573-9686
citation:        Jiang, XZ;    Guo, L;    Luo, KH;    Ventikos, Y;      (2020)    Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study.                   Annals of Biomedical Engineering , 48    pp. 357-366.    10.1007/s10439-019-02353-7 <https://doi.org/10.1007/s10439-019-02353-7>.       Green open access   
 
document_url: https://discovery-pp.ucl.ac.uk/id/eprint/10082304/1/Guo_MembraneDeformationOfEndotheli.pdf