Interactions and molecular organization in polymer surfactant systems

聚合物-表面活性剂对在许多化妆品和农产品以及涂料和药物配方中发挥着关键作用。高相对分子质量的聚合物和低相对分子质量的表面活性剂常常结合在一起，以利用它们独特的、协同的性质，例如，聚合物的机械性能和表面活性剂的自组装行为。然而，由于缺乏关于生物聚合物和非离子表面活性剂组合的信息，聚合物-表面活性剂体系尚未被充分开发用于生物医学和制药应用。到目前为止，大多数关于聚合物-表面活性剂体系的基础研究都包括带电表面活性剂(如十二烷基硫酸钠)，由于其安全性和毒性较差，在生物医学应用中的潜力有限。通过这种方式，选择合适的生物聚合物-非离子表面活性剂对用于生物医学应用通常是通过反复试验进行的。 目前的研究集中在建立模型来解释天然的、生物相容的聚合物壳聚糖和非离子表面活性剂形成的溶液的行为和膜的性质。为了深入了解这些系统中存在的相互作用和微观结构，将采用实验研究和计算机模拟。通过比较实验和电子计算机研究的结果，将能够验证未来可能用于快速确定特定应用的最佳聚合物-表面活性剂对的计算方法。还将评估壳聚糖-表面活性剂体系的功能性质，以建立组成、分子组织或微观结构与性能之间的关系。

Polymer-surfactant pairs play a critical role in many cosmetic and agriculture products as well as paint and pharmaceutical formulations. The high molecular weight polymers and low molecular weight surfactants are often combined to take advantage of their unique and synergistic properties; for example, the mechanical properties of the polymer and self-assembly behavior of the surfactant. However, polymer-surfactant systems have not been fully exploited for use in biomedical and pharmaceutical applications due to the lack of information available on combinations of biopolymers and nonionic surfactants. To date, most of the fundamental studies on polymer-surfactant systems have included charged surfactants (e.g. sodium dodecyl sulfate) which have limited potential for use in biomedical applications due to their poor safety and toxicity profiles. In this way, the selection of appropriate biopolymer- nonionic surfactant pairs for biomedical applications often proceeds by trial and error. The current research is focused on establishing models to explain the behavior of solutions and properties of films formed from the natural, biocompatible polymer chitosan and nonionic surfactants. Experimental studies and computer simulations will be employed in order to gain insight into the interactions and microstructure present within these systems. Comparison of the results from the experimental and in silico studies will allow for validation of the computational methods which may be used in the future for rapid identification of the optimal polymer-surfactant pairs for specific applications. The functional properties of the chitosan-surfactant systems will also be evaluated in order to establish the relationships between composition, molecular organization or microstructure and performance.