高速な力学的負荷下でのPEG化リポソームの破断に関する分子動力学解析

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  • Molecular Dynamics Simulations of PEGylated-liposome Rupture Induced by High-speed Mechanical Loading

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<p>To understand the mechanical response of PEGylated liposomes is critical for the development of drug delivery system (DDS) using liposomes. We perform molecular dynamics (MD) simulations of dipalmitoylphophatidylethanolamine (DPPE)/PEGylated DPPE (DPPE-PEG) bilayers under quasi-static and unsteady stretching. The quasi-static stretching is modeled by constant temperature and bilayer normal pressure MD simulations with various constant areas. The unsteady stretching is modeled by scaling atom positions with various stretching speeds, 0.5, 1.0, and 2.0 m/s. We analyze the effects of stretching speeds and DPPE-PEG concentrations (0, 50, 100 mol%) on the bilayer rupture. The rupturing areal strain decreases with increasing the DPPE-PEG concentration and it increases with increasing the stretching speed, regardless of the DPPE-PEG concentrations. Under the quasi-static stretching, the rupturing tension decreases with increasing the DPPE-PEG concentration. However, under the unsteady stretching, it increases with the DPPE-PEG concentration. These results suggest that viscoelastic properties of a DPPE/DPPE-PEG bilayer may affect the rupture of the liposomes.</p>

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  • 年次大会

    年次大会 2016 (0), J0210101-, 2016

    一般社団法人 日本機械学会

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