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題 名 | Effect of Drug-Polymer Interaction on Drug Diffusion through Polymeric Membranes |
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作 者 | Wang, Ching-ya; Wu, Yung-hsu; Wang, Da-ming; | 書刊名 | Journal of Medical and Biological Engineering |
卷 期 | 27:1 2007.03[民96.03] |
頁 次 | 頁35-40 |
分類號 | 418.1 |
關鍵詞 | Controlled release; Drug diffusion; Molecular dynamics simulation; Drug-polymer interaction; |
語 文 | 英文(English) |
英文摘要 | Experiments and molecular dynamics simulations were performed in the present work to investigate diffusion of theophylline and aspirin molecules through poly(vinyl alcohol) (PVA) membranes. Both experimental data and simulation results showed that aspirin had lower diffusion coefficient than theophylline. The experimental data also indicated a stronger interaction with PVA of aspirin than theophylline. Investigations were carried out to look into how the drug-polymer interaction can affect drug diffusion in polymeric membranes. According to the trajectories of molecule movement in polymer, obtained from the simulation, the aspirin molecule was less likely than theophylline to move from its original position, which is believed to result from the higher energy needed for the aspirin molecule to move away from the surrounding PVA molecules, due to the higher interaction between aspirin and PVA. Another interesting phenomenon observed from the simulation is that the aspirin molecule could not perform "sudden jump" motion from its original position, as the theophylline molecule did, which we believe also related to the stronger interaction between aspirin and PVA. |
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