In this study, the complicated solvation behaviors of arbutin were studied from both experiment investigations and theoretical calculations. Six solid forms of arbutin including anhydrous Form I and five solvates...
The induction time for nucleation can differ based on the solutions used to conduct a crystallization, which can in turn impact the efficiency and economics of a crystallization process, the crystal size distribution, the morphology and ultimately functionality of the final product. Establishing a link between the nucleation pathway/solution structure and nucleation induction time is essential to achieve improved comprehension of the process of crystal nucleation from solution. In this study, the role of solute conformation, solvent-solute interaction, and solute-solute interaction in nucleation was examined using tolbutamide as a model compound in toluene and toluenealcohol solutions. Through a combination of induction time experiments, attenuated total reflection Fourier transformed infrared spectroscopy, nuclear magnetic resonance spectroscopy, molecular dynamics simulations, and quantum chemical calculations, it was found that not only solvent-solute interactions but also solute-solute interactions and structural similarities between molecular self-assemblies in the solution and synthons in the crystal structure, can significantly influence the nucleation induction time.
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