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Structural Change in Lipid Bilayers and Water Penetration Induced by Shock Waves: Molecular Dynamics Simulations

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タイトル: Structural Change in Lipid Bilayers and Water Penetration Induced by Shock Waves: Molecular Dynamics Simulations
著者: Koshiyama, Kenichiro 著作を一覧する
Kodama, Tetsuya 著作を一覧する
Yano, Takeru 著作を一覧する
Fujikawa, Shigeo 著作を一覧する
発行日: 2006年 6月23日
出版者: The Biophysical Society
誌名: Biophysical Journal
巻: 91
号: 6
開始ページ: 2198
終了ページ: 2205
出版社 DOI: 10.1529/biophysj.105.077677
抄録: The structural change of a phospholipid bilayer in water under the action of a shock wave is numerically studied with unsteady nonequilibrium molecular dynamics simulations. The action of shock waves is modeled by the momentum change of water molecules, and thereby we demonstrate that the resulting collapse and rebound of the bilayer are followed by the penetration of water molecules into the hydrophobic region of the bilayer. The high-speed phenomenon that occurs during the collapse and rebound of the bilayer is analyzed in detail, particularly focusing on the change of bilayer thickness, the acyl chain bend angles, the lateral fluidity of lipid molecules, and the penetration rate of water molecules. The result shows that the high-speed phenomenon can be divided into two stages: in the first stage the thickness of bilayer and the order parameter are rapidly reduced, and then in the second stage they are recovered relatively slowly. It is in the second stage that water molecules are steadily introduced into the hydrophobic region. The penetration of water molecules is enhanced by the shock wave impulse and this qualitatively agrees with a recent experimental result.
資料タイプ: article (author version)
URI: http://hdl.handle.net/2115/14719
出現コレクション:雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

提供者: 矢野 猛

 

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