How does solvent escape from the channel solvate?

Some drugs are difficult to crystal in a pure state, but do readily form co-crystals with some solvents. At elevated temperatures these ‘trapped’ solvent molecules may escape and new, ‘dry’, solid is formed . Combining powder X-ray diffraction, solid-state reaction kinetics modeling, and all-atom MD simulations, we traced in very detail, how motion of solvent molecules cooperate with crystal structure fluctuations. link


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