Title :

Pressure Dependence of the Crystallization Rate for the S-Enantiomer and a Racemic Mixture of Ibuprofen

Author(s) :

Koperwas, Kajetan [Auteur]
University of Silesia in Katowice
Tu, Wenkang [Auteur]
University of Silesia in Katowice
Affouard, Frédéric [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Adrjanowicz, Karolina [Auteur]
University of Silesia in Katowice
Kaskosz, Filip [Auteur]
University of Silesia in Katowice
Paluch, Marian [Auteur]
University of Silesia in Katowice

Journal title :

Crystal Growth & Design

Abbreviated title :

Crystal Growth & Design

Publisher :

American Chemical Society (ACS)

Publication date :

2021-10-26

ISSN :

1528-7505

English keyword(s) :

Interfaces
Crystallization
Liquids
Insulators
Nucleation

HAL domain(s) :

Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]

English abstract : [en]

This paper examines the pressure effect on the crystallization rate of the pharmaceutically active enantiomerically pure S-enantiomer and the racemic mixture of the well-known drug ibuprofen. Performed experimental studies ...
Show more >This paper examines the pressure effect on the crystallization rate of the pharmaceutically active enantiomerically pure S-enantiomer and the racemic mixture of the well-known drug ibuprofen. Performed experimental studies revealed that at ambient pressure S-ibuprofen crystallizes faster than the racemic mixture. When the pressure increases, the crystallization rate slows down for both systems, but interestingly it is more apparent in the case of the S-enantiomer. It is found that this experimentally observed trend can be understood based on the predictions of the classical nucleation theory. We suggest that the solid–liquid interfacial free energy is the main reason for the observed variations in S- and RS-ibuprofen’s stability behaviors. Employing a special method of computational studies, i.e., the capillary fluctuation method, we show that the increase in pressure affects the solid–liquid interfacial free energy for S- and RS-ibuprofen in an entirely different way. Importantly, the detected differences correspond to the experimentally observed variations in the overall crystallization rates.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS
INRA
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Research team(s) :

Matériaux Moléculaires et Thérapeutiques

Submission date :

2021-11-16T16:02:05Z
2021-11-19T09:59:55Z
2021-11-19T10:48:39Z