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Hokkaido University Collection of Scholarly and Academic Papers >
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Peer-reviewed Journal Articles, etc >
Structural Change in Lipid Bilayers and Water Penetration Induced by Shock Waves: Molecular Dynamics Simulations
| Title: | Structural Change in Lipid Bilayers and Water Penetration Induced by Shock Waves: Molecular Dynamics Simulations |
| Authors: | Koshiyama, Kenichiro Browse this author | | Kodama, Tetsuya Browse this author | | Yano, Takeru Browse this author | | Fujikawa, Shigeo Browse this author →KAKEN DB |
| Issue Date: | 23-Jun-2006 |
| Publisher: | The Biophysical Society |
| Journal Title: | Biophysical Journal |
| Volume: | 91 |
| Issue: | 6 |
| Start Page: | 2198 |
| End Page: | 2205 |
| Publisher DOI: | 10.1529/biophysj.105.077677 |
| Abstract: | 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. |
| Type: | article (author version) |
| URI: | http://hdl.handle.net/2115/14719 |
| Appears in Collections: | 工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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Submitter: 矢野 猛
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