Control and Prediction of the Organic Solid State
Automated medium-throughput crystallisation platform
At the outset of the project, one of the potential downfalls was that, although we could run predictions for a number of molecules, there was no way of knowing which polymorphs could be observed experimentally. To address this, we have developed an automated medium-throughput crystallisation platform to attempt to discover as many polymorphs and solvates of a given molecule as possible. Some polymorphas are outside the scope of a crystallisation platform, such as high pressure forms, but this method clearly allows more worthwhile interpretation of the crystal energy landscapes produced by the computational scientists.
The above workflow shows how the 2 distinct areas of the project overlap and interact with one another.
Results from the experimental screening are available, including a list of the molecules studied and published to date. The full details of the screening platform are given in Florence, A. J.; Johnston, A.; Price, S. L.; Nowell, H.; Kennedy, A. R.; Shankland, N. J. Pharm. Sci., 95(9), 1918-1930 (2006).
Some pictures of the automated platform are given on Alastair Florence's homepage.
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