Continuum Crystallization Model Derived from Pharmaceutical Crystallization Mechanisms.
Journal
ACS central science
ISSN: 2374-7943
Titre abrégé: ACS Cent Sci
Pays: United States
ID NLM: 101660035
Informations de publication
Date de publication:
26 May 2021
26 May 2021
Historique:
received:
24
02
2021
entrez:
3
6
2021
pubmed:
4
6
2021
medline:
4
6
2021
Statut:
ppublish
Résumé
The crystallization mechanisms of organic molecules in solution are not well-understood. The mechanistic scenarios where crystalline order evolves directly from the molecularly dissolved state ("classical") and from initially formed amorphous intermediates ("nonclassical") are suggested and debated. Here, we studied crystallization mechanisms of two widely used analgesics, ibuprofen (IbuH) and etoricoxib (ETO), using direct cryogenic transmission electron microscopy (cryo-TEM) imaging. In the IbuH case, parallel crystallization pathways involved diverse phases of high and low density, in which the instantaneous formation of final crystalline order was observed. ETO crystallization started from well-defined round-shaped amorphous intermediates that gradually evolved into crystals. This mechanistic diversity is rationalized by introducing a continuum crystallization paradigm: order evolution depends on ordering in the initially formed intermediates and efficiency of molecular rearrangements within them, and there is a continuum of states related to the initial order and rearrangement rates. This model provides a unified view of crystallization mechanisms, encompassing classical and nonclassical pictures.
Identifiants
pubmed: 34079905
doi: 10.1021/acscentsci.1c00254
pmc: PMC8161475
doi:
Types de publication
Journal Article
Langues
eng
Pagination
900-908Informations de copyright
© 2021 The Authors. Published by American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
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