A Combined Experimental and Computational Study of the Substituent Effect on Micellar Behavior of γ-Substituted Thermoresponsive Amphiphilic Poly(ε-caprolactone)s
作者:Jing Hao、Yixing Cheng、R. J. K. Udayana Ranatunga、Suchithra Senevirathne、Michael C. Biewer、Steven O. Nielsen、Qian Wang、Mihaela C. Stefan
DOI:10.1021/ma400855z
日期:2013.6.25
substituent structure on the micellar behavior of thermoresponsive amphiphilic poly(ε-caprolactone) diblock copolymer micelles was investigated through a combination of experimental and computational methods. The polycaprolactone (PCL) amphiphilic block copolymers used in this study consisted of a hydrophilic polyγ-2-[2-(2-methoxyethoxy)ethoxy]ethoxy-ε-caprolactone} block, which also endowed the polymer
通过实验和计算方法相结合,研究了核心取代基结构对热敏性两亲性聚(ε-己内酯)二嵌段共聚物胶束的胶束行为的影响。这项研究中使用的聚己内酯(PCL)两亲嵌段共聚物由亲水性的聚γ-2-[2-(2-(2-甲氧基乙氧基)乙氧基]乙氧基-ε-己内酯}嵌段组成,这也使聚合物具有热响应性,并且疏水性聚(γ-烷氧基-ε-己内酯)嵌段。五个不同的取代基已连接到疏水性嵌段的ε-己内酯的γ位上,即辛氧基,乙基己氧基,乙氧基,苄氧基和环己氧基甲氧基,它们在水性介质中自组装以产生胶束的核心。所有五种合成的二嵌段共聚物均在水中形成胶束,并在36-39°C的较低临界溶液温度(LCST)下表现出热响应性。研究了不同取代基对胶束性质(如大小,稳定性和相变行为)的影响。还通过采用阿霉素(DOX)作为有效载荷研究了药物的负载和释放特性。分子动力学建模用于预测粒径,自由体积和载药量的变化。发现从分子动力学模拟预测的载药量与实验数