Clout, Alexander E., Buanz, Asma B. M. ORCID: https://orcid.org/0000-0002-2556-1256, Pang, Yuying, Tsui, Wing-Mei, Yan, Dongpeng, Parkinson, Gary, Prior, Timothy J., Bu�ar, Dejan-Krešimir, Gaisford, Simon and Williams, Gareth R. (2020) Mechanistic in situ and ex situ studies of phase transformations in molecular co-crystals. Chemistry A European Journal, 26 (64). pp. 14645-14653. (doi:10.1002/chem.202002267)

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Abstract

Abstract Co-crystallisation is widely explored as a route to improve the physical properties of pharmaceutical active ingredients, but little is known about the fundamental mechanisms of the process. Herein, we apply a hyphenated differential scanning calorimetry�X-ray diffraction technique to mimic the commercial hot melt extrusion process, and explore the heat-induced synthesis of a series of new co-crystals containing isonicotinamide. These comprise a 1:1 co-crystal with 4-hydroxybenzoic acid, 2:1 and 1:2 systems with 4-hydroxyphenylacetic acid and a 1:1 crystal with 3,4-dihydroxyphenylactic acid. The formation of co-crystals during heating is complex mechanistically. In addition to co-crystallisation, conversions between polymorphs of the co-former starting materials and co-crystal products are also observed. A subsequent study exploring the use of inkjet printing and milling to generate co-crystals revealed that the synthetic approach has a major effect on the co-crystal species and polymorphs produced.

Item Type:	Article
Uncontrolled Keywords:	differential scanning calorimetry, hyphenated techniques, pharmaceutical co-crystals, synchrotron X-ray diffraction
Subjects:	Q Science > Q Science (General)
Faculty / School / Research Centre / Research Group:	Faculty of Engineering & Science
Last Modified:	24 Aug 2022 10:00
URI:	http://gala.gre.ac.uk/id/eprint/37185

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