J023012 Molecular dynamics simulations of lipid-coated nanobubbles

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  • J023012 脂質殼ナノバブルの分子シミュレーション([J023]薬剤送達とバイオメカニクス)

Abstract

Molecular dynamics (MD) simulations of lipid-coated nanobubbles composed of coarse-grained beads of phospholipid, water, and gas-like molecules are presented. The MD simulations are performed at a constant temperature of 310 K and a pressure of 0.1 MPa starting from a lipid-coated bubble with a diameter of〜12 nm. We found that without gas-like molecules, the bubble collapses and becomes disk-like micelle structure in 10 ns, while with gas-like molecules, the bubble becomes stable with a diameter of〜11 nm. The result qualitatively agrees with experimental findings.

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