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《中国化学会第30届学术年会摘要集-第十九分会:化学中的量子与经典动力学》2016年
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Dynamic effect of three amphiphilic transdermal penetration enhancers on membrane structure

Shanshan Li  Yongshan Zhao  
【摘要】:In this study, three amphiphilic percutaneous absorption enhancers,namely isopulegol decanoate(ISO-10), menthol decanoate(MT-10), Azone(AZ), were selected to clarify enhancing kinetics which meant changes in promoting effect of enhancers as the application time prolonged. All molecular dynamics(MD) simulations were performed using GROMACS version 5.0 and all the molecular images were generated using VMD software. In this study, ISO-10, MT-10 and AZ showed significant enhancing effects and the enhancers showed dynamic enhancing activity against time.While,after the addition of enhancers, well-organized membrane showed more disordered arrangement(Fig1). In conclusion, The diffusion coefficients suggested fluidity of lipids with the disturbance of enhancers.~([1]) The whole run time was divided into 20 periods, and the slope of each curve was obtained from Fig2. It is evident that the stability of the bilayer was disturbed caused by the enhancers' interruption in all systems~([2])( Fig3).

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