UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

Mechanistic in situ and ex situ studies of phase transformations in molecular co-crystals

Clout, A; Buanz, A; Pang, Y; Tsui, W-M; Yan, D; Parkinson, G; Prior, T; ... Williams, G; + view all (2020) Mechanistic in situ and ex situ studies of phase transformations in molecular co-crystals. Chemistry , 26 (64) pp. 14645-14653. 10.1002/chem.202002267. Green open access

[thumbnail of Buanz_chem.202002267.pdf]
Preview
Text
Buanz_chem.202002267.pdf - Published Version

Download (1MB) | Preview

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.

Type: Article
Title: Mechanistic in situ and ex situ studies of phase transformations in molecular co-crystals
Location: Germany
Open access status: An open access version is available from UCL Discovery
DOI: 10.1002/chem.202002267
Publisher version: https://doi.org/10.1002/chem.202002267
Language: English
Additional information: Copyright © 2020 The Authors. Published by Wiley-VCH GmbH This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Keywords: differential scanning calorimetry, hyphenated techniques, pharmaceutical co-crystals, synchrotron X-ray diffraction
UCL classification: UCL
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy > Pharma and Bio Chemistry
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy > Pharmaceutics
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10106642
Downloads since deposit
54Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item