Combining experiment and prediction to explore surface chemistry and dissolution

A crystal structure is often an integral component in the development of a new pharmaceutical product, and these structures are frequently used to understand, assess and often predict both the manufacturing and in vivo behaviour of these compounds. Combining a range of analytical methods with comput...

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Main Author: Andrew G. P. Maloney
Format: Article
Language:English
Published: International Union of Crystallography 2025-03-01
Series:IUCrJ
Subjects:
Online Access:https://journals.iucr.org/paper?S2052252525001782
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author Andrew G. P. Maloney
author_facet Andrew G. P. Maloney
author_sort Andrew G. P. Maloney
collection DOAJ
description A crystal structure is often an integral component in the development of a new pharmaceutical product, and these structures are frequently used to understand, assess and often predict both the manufacturing and in vivo behaviour of these compounds. Combining a range of analytical methods with computational analysis of the crystal surfaces, Zmeškalová et al. [(2025). IUCrJ, 12, 141–154] link the properties of three solid forms of a biologically active molecule to its dissolution behaviour.
format Article
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issn 2052-2525
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publisher International Union of Crystallography
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spelling doaj-art-e9acc4ded9f34a5fb002eff6517a4b4b2025-08-20T02:01:58ZengInternational Union of CrystallographyIUCrJ2052-25252025-03-0112213713810.1107/S2052252525001782me6321Combining experiment and prediction to explore surface chemistry and dissolutionAndrew G. P. Maloney0The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, United KingdomA crystal structure is often an integral component in the development of a new pharmaceutical product, and these structures are frequently used to understand, assess and often predict both the manufacturing and in vivo behaviour of these compounds. Combining a range of analytical methods with computational analysis of the crystal surfaces, Zmeškalová et al. [(2025). IUCrJ, 12, 141–154] link the properties of three solid forms of a biologically active molecule to its dissolution behaviour.https://journals.iucr.org/paper?S2052252525001782crystal surfacespharmaceuticalsparticle shapecsd-particledissolution
spellingShingle Andrew G. P. Maloney
Combining experiment and prediction to explore surface chemistry and dissolution
IUCrJ
crystal surfaces
pharmaceuticals
particle shape
csd-particle
dissolution
title Combining experiment and prediction to explore surface chemistry and dissolution
title_full Combining experiment and prediction to explore surface chemistry and dissolution
title_fullStr Combining experiment and prediction to explore surface chemistry and dissolution
title_full_unstemmed Combining experiment and prediction to explore surface chemistry and dissolution
title_short Combining experiment and prediction to explore surface chemistry and dissolution
title_sort combining experiment and prediction to explore surface chemistry and dissolution
topic crystal surfaces
pharmaceuticals
particle shape
csd-particle
dissolution
url https://journals.iucr.org/paper?S2052252525001782
work_keys_str_mv AT andrewgpmaloney combiningexperimentandpredictiontoexploresurfacechemistryanddissolution