A molecular dynamics study of the structural and dynamical properties of putative arsenic substituted lipid bilayers

Please use this identifier to cite or link to this item: https://ir.lib.ncu.edu.tw/handle/987654321/100474

Title:	A molecular dynamics study of the structural and dynamical properties of putative arsenic substituted lipid bilayers
Authors:	蔡惠旭;Tsai, Hui-Hsu;Lee, Jian-Bin;Huang, Jian-Ming;Juwita, Ratna
Contributors:	理學院化學學系
Keywords:	Arsenates - chemistry;Arsenic;Chemical elements;Electrons;Lipid Bilayers - chemistry;Lipids;Membranes;Molecular Dynamics Simulation;Phosphatidylcholines - chemistry;Phosphorus;Simulation
Date:	2013-01-01
Issue Date:	2026-04-21 14:03:57 (UTC+8)
Publisher:	MDPI Multidisciplinary Digital Publishing Institute;Switzerland: MDPI AG
Abstract:	摘要： Cell membranes are composed mainly of phospholipids which are in turn, composed of five major chemical elements: carbon, hydrogen, nitrogen, oxygen, and phosphorus. Recent studies have suggested the possibility of sustaining life if the phosphorus is substituted by arsenic. Although this issue is still controversial, it is of interest to investigate the properties of arsenated-lipid bilayers to evaluate this possibility. In this study, we simulated arsenated-lipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-arsenocholine (POAC), lipid bilayers using all-atom molecular dynamics to understand basic structural and dynamical properties, in particular, the differences from analogous 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, (POPC) lipid bilayers. Our simulations showed that POAC lipid bilayers have distinct structural and dynamical properties from those of native POPC lipid bilayers. Relative to POPC lipid bilayers, POAC lipid bilayers have a more compact structure with smaller lateral areas and greater order. The compact structure of POAC lipid bilayers is due to the fact that more inter-lipid salt bridges are formed with arsenate-choline compared to the phosphate-choline of POPC lipid bilayers. These inter-lipid salt bridges bind POAC lipids together and also slow down the head group rotation and lateral diffusion of POAC lipids. Thus, it would be anticipated that POAC and POPC lipid bilayers would have different biological implications. 其他題名： Int J Mol Sci 出版者： Switzerland: MDPI AG 出版日期： 2013-04-09 出處： International journal of molecular sciences, 2013-04, Vol.14 (4), p.7702-7715 資源來源： Publicly Available Content Database 版權： Copyright MDPI AG 2013 版權： 2013 by the authors; licensee MDPI, Basel, Switzerland 2013 識別號： ISSN: 1422-0067 識別號： ISSN: 1661-6596 識別號： EISSN: 1422-0067 識別號： DOI: 10.3390/ijms14047702 識別號： PMID: 23571494
Appears in Collections:	[Department of Chemistry] journal & Dissertation

Files in This Item:

File	Description	Size	Format
index.html		0Kb	HTML	12	View/Open

社群 sharing

Loading...