書誌事項
- タイトル別名
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- J0102-1-3 Coarse Grained Molecular Dynamics Simulation of Pulmonary Surfactant Monolayer
抄録
Coarse grained molecular dynamics simulations of pulmonary-surfactant monolayers on a water layer are conducted to understand phase changes of the monolayer under various area per lipid (APL) in the molecular level. The monolayer is modeled by a monolayer comprised by dipalmitoylphosphatidylcholine (DPPC) molecules, which are the major component of human pulmonary surfactant. The area of the system calculated is varied according to APL from 0.40 to 0.80 nm^2/lipid, whereas the system size in the monolayer normal direction is 100 nm. The constant temperature and volume MD calculation is performed in 30 ns for each APL condition. Visual inspection of the hydrophobic-beads packing shows the monolayer calculated is in the lipid-condensed (LC) phase for APL=0.45, in the lipid-expanded (LE) phase for APL=0.70, in the LE and LC coexisting (LE/LC) phase for APL=0.50, and in the LE and the uncovered water layer coexisting (LE/G) phase for APL=0.70. In addition, the monolayer buckles for APL=0.40. The results obtained here agree with available experimental data.
収録刊行物
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- 年次大会講演論文集
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年次大会講演論文集 2009.6 (0), 23-24, 2009
一般社団法人 日本機械学会
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詳細情報 詳細情報について
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- CRID
- 1390001206065204864
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- NII論文ID
- 110007861968
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- ISSN
- 24331325
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- Crossref
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可