833 肺サーファクタントの分子シミュレーション : 肺のマルチシミュレータ開発にむけて(J05-3 生命体統合シミュレーション(3),ジョイントセッション,21世紀地球環境革命の機械工学:人・マイクロナノ・エネルギー・環境)

概要

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Molecular dynamics simulation of pulmonary surfactant on a water layer is conducted to investigate the effect of the surfactant on gaseous exchange in alveolus. The pulmonary surfactant is modeled by a monolayer comprised by dipalmitoylphosphatidylcholine (DPPC) molecules, which are the major component of human pulmonary surfactant. The constant temperature and volume MD calculation is performed in 10 ns. From the result of density profile of water across the system calculated it is found that the reduction of the water density in the liquid-vapor interface is more gradually than that calculated in the system without surfactant. In addition, the vapor water density is locally decreased in the hydrophobic region of the surfactant monolayer. The results of this water density profile and snapshots obtained here suggest that water exchange across the pulmonary surfactant hardly occurs in the time scale calculated here.
社団法人日本機械学会の論文
2008-08-02