BIOTHERMODYNAMIC STUDIES OF THE SOLVATION AND CLUSTERING OF NONIONIC AMPHIPHILES

长期目标：这项研究的最终目的是提高我们的理解的方式，其中非离子两亲物在水和其他溶剂环境中的自聚集可能会影响生物化学和生物物理过程的能量学和途径。具体目标：我们建议继续积累非离子两亲物和水的混合物的热力学数据。将主要集中在文献中信息量最少的那些系统的混合特性上。我们还将测量相同的两亲物和惰性溶剂庚烷的混合物的量热和体积性质。我们最近的研究给出了一个明确的指示，形成不稳定的反胶束聚集在惰性环境中。我们将继续发展分析这些二元体系的过量热力学性质和建立构效关系的策略。我们计划将测得的非离子两亲物的溶剂化能量与分子模型估计的混合能量相关联。我们还希望扩大我们的早期研究的两亲物+水的混合物的疏水代谢物的增溶。健康相关性：包括代谢物和治疗剂在内的有机物质在生命系统中的作用方式部分取决于其官能团的性质，部分取决于其聚集模式和改变溶剂结构的方式。我们的目的是确定修改的两亲物的分子结构后的稳定性的溶剂化集群和这种集群的能力，将疏水代谢物的影响。

Long Term Goals: The ultimate purpose of this research is to improve upon our understanding of the manner in which the self-aggregation of non-ionic amphiphiles in water and other solvent environments might influence the energetics and pathways of biochemical and biophysical processes. Specific Aims: We propose to continue to accumulate thermodynamic data for mixtures of non-ionic amphiphiles and water. There will a major focus on the enthalpies of mixing of those systems for which there is the least amount of information in the literature. We will also measure calorimetric and volumetric properties of mixtures of the same amphiphiles and the inert solvent heptane. Our recent studies give a clear indication of the formation of labile reverse micellar aggregation in the inert environment. We shall continue to develop strategies for analyzing the excess thermodynamic properties of these binary systems and for the establishment of structure-activity relationships. We plan to correlate the measured enthalpies of mixing with molecular modelling estimates of the energies of solvation of the non-ionic amphiphiles. We also wish to extend our earlier studies of the solubilization of hydrophobic metabolites by amphiphile+ water mixtures. Health Relatedness: The manner in which organic substances, including metabolites and therapeutic agents, perform in living systems is partly dictated by the nature of their functional groups and partly by their patterns of aggregation and the manner in which modify solvent structures. Our aim is to determine the effects of modifying the amphiphile's molecular structure upon the stability of the solvated clusters and the ability of such clusters to incorporate hydrophobic metabolites.