Understanding and Predicting Thermodynamic and Kinetic Stability in Pharmaceutical Hydrates

该项目试图找到水合物的晶体结构与其热力学和动力学稳定性之间的联系。我们有兴趣开发有关水合物结构稳定或不稳定的新知识，因此，在制药生产中使用的几种加工操作下，水合物结构不太可能或可能发生变化。该项目将使用实验和计算方法相结合的方法，根据晶体结构知识估计水合物的稳定性，并预测水合物在各种加工条件下(如研磨、储存……)的固体形态变化。

This project seeks to find links between the crystal structures of hydrates and their thermodynamic and kinetic stabilities. We are interested in developing new knowledge about what makes a hydrate structure stable or unstable and, therefore, unlikely or likely to change under several processing operations used in pharmaceutical manufacturing. The project will use a combination of experimental and computational approaches to estimate hydrate stability from crystal structure knowledge and predict solid form changes in hydrates upon various types of processing conditions (i.e. milling, storage...).