Understanding and Predicting Thermodynamic and Kinetic Stability in Pharmaceutical Hydrates

该项目旨在发现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。我们有兴趣开发新的知识，了解是什么使水合物结构稳定或不稳定，因此，不太可能或可能在制药生产中使用的几种加工操作下发生变化。该项目将使用实验和计算方法相结合，从晶体结构知识中估计水合物的稳定性，并预测水合物在各种加工条件（即研磨，储存等）下的固体形式变化。

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...).