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Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study
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 esta...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer US
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6928090/ https://www.ncbi.nlm.nih.gov/pubmed/31520333 http://dx.doi.org/10.1007/s10439-019-02353-7 |
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author | Jiang, Xi Zhuo Guo, Liwei Luo, Kai H. Ventikos, Yiannis |
author_facet | Jiang, Xi Zhuo Guo, Liwei Luo, Kai H. Ventikos, Yiannis |
author_sort | Jiang, Xi Zhuo |
collection | PubMed |
description | 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. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (10.1007/s10439-019-02353-7) contains supplementary material, which is available to authorized users. |
format | Online Article Text |
id | pubmed-6928090 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Springer US |
record_format | MEDLINE/PubMed |
spelling | pubmed-69280902020-01-07 Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study Jiang, Xi Zhuo Guo, Liwei Luo, Kai H. Ventikos, Yiannis Ann Biomed Eng Original Article 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. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (10.1007/s10439-019-02353-7) contains supplementary material, which is available to authorized users. Springer US 2019-09-13 2020 /pmc/articles/PMC6928090/ /pubmed/31520333 http://dx.doi.org/10.1007/s10439-019-02353-7 Text en © The Author(s) 2019 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. |
spellingShingle | Original Article Jiang, Xi Zhuo Guo, Liwei Luo, Kai H. Ventikos, Yiannis Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study |
title | Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study |
title_full | Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study |
title_fullStr | Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study |
title_full_unstemmed | Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study |
title_short | Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study |
title_sort | membrane deformation of endothelial surface layer interspersed with syndecan-4: a molecular dynamics study |
topic | Original Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6928090/ https://www.ncbi.nlm.nih.gov/pubmed/31520333 http://dx.doi.org/10.1007/s10439-019-02353-7 |
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