| Autor: |
Qin Shi, Yanan Wang, Jianfei Kong |
| Jazyk: |
angličtina |
| Rok vydání: |
2023 |
| Předmět: |
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| Zdroj: |
Molecules, Vol 28, Iss 7, p 2919 (2023) |
| Druh dokumentu: |
article |
| ISSN: |
1420-3049 |
| DOI: |
10.3390/molecules28072919 |
| Popis: |
Understanding crystallization and its correlations with liquid dynamics is relevant for developing robust amorphous pharmaceutical solids. Herein, nimesulide, a classical anti-inflammatory agent, was used as a model system for studying the correlations between crystallization kinetics and molecular dynamics. Kinetic parts of crystal growth (ukin) of nimesulide exhibited a power law dependence upon the liquid viscosity (η) as ukin~η−0.61. Bulk molecular diffusivities (DBulk) of nimesulide were predicted by a force-level statistical–mechanical model from the α-relaxation times, which revealed the relationship as ukin~Dbulk0.65. Bulk crystal growth kinetics of nimesulide in deeply supercooled liquid exhibited a fragility-dependent decoupling from τα. The correlations between growth kinetics and α-relaxation times predicted by the Adam–Gibbs–Vogel equation in a glassy state were also explored, for both the freshly made and fully equilibrated glass. These findings are relevant for the in-depth understanding and prediction of the physical stability of amorphous pharmaceutical solids. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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