J052013 超音波下での脂質膜構造変化の分子シミュレーション([J05201]ドラッグデリバリーシステムでの流動現象とデバイス開発(1))

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  • J052013 Molecular dynamics simulations of structural changes of a lipid bilayer exposed to ultrasound

抄録

Coarse grained molecular dynamics simulations of a phospholipid bilayer under cyclic stretching are performed. The cyclic stretching is expressed by changing a position scaling factor sinusoidally so that the areal strain of the bilayer varies in the range from 0 to 1 at 1 MHz. It is found that the total potential energy of the bilayer system increase with stretching and drops when the areal strain exceeds 0.8, where a pore structure penetrating the bilayer forms. The range where the pore forms is consistent with the previous all-atom MD study of bilayer rupture. Once the pore structure forms, the pore structure is stable during contracting until the areal strain reaches 0.1, which leads to different pathways of the energy change during stretching and contracting.

収録刊行物

  • 年次大会

    年次大会 2011 (0), _J052013-1-_J052013-2, 2011

    一般社団法人 日本機械学会

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