Transforming Computed Energy Landscapes into Experimental Realities: The Role of Structural Rugosity

Autor: Riccardo Montis, Aurora J. Cruz-Cabeza, Roger J. Davey, Grahame Woollam, Sarah E. Wright

Publikováno v: Cruz-cabeza, A J, Montis, R, Davey, R J, Wright, S E & Woollam, G R 2020, ' Transforming Computed Energy Landscapes into Experimental Realities – the Role of Structural Rugosity ', Angewandte Chemie International Edition, vol. 59, no. 46, pp. 20357-20360 . https://doi.org/10.1002/anie.202006939
Angewandte Chemie (International Ed. in English)

We exploit the possible link between structural surface roughness and difficulty of crystallisation. Polymorphs with smooth surfaces may nucleate and crystallise more readily than polymorphs with rough surfaces. The concept is applied to crystal stru

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::002c139840877a1f8983a85a9787c9a3
https://doi.org/10.1002/ange.202006939

From single excipients to dual excipient platforms in dry powder inhaler products

Autor: Jagdeep Shur, Stephen Edge, Grahame Woollam, Dilraj Singh, Paul M. Young, David Lewis, Robert Price

Publikováno v: Shur, J, Price, R, Lewis, D, Young, P M, Woollam, G, Singh, D & Edge, S 2016, ' From single excipients to dual excipient platforms in dry powder inhaler products ', International Journal of Pharmaceutics, vol. 514, no. 2, pp. 374-383 . https://doi.org/10.1016/j.ijpharm.2016.05.057

Recent years have seen a marked diversification of excipient based formulation strategies used for the development and commercialisation of dry powder inhaler (DPI) products. These innovative approaches not only provide benefits to patients and healt

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c7eab4b99932c62cbb399d7651b28dda

The importance of configurational disorder in crystal structure prediction: the case of loratadine

Autor: Roger J. Davey, Trixie Wagner, Marcus A. Neumann, Grahame Woollam

Publikováno v: Woollam, G R, Neumann, M A, Wagner, T & Davey, R J 2018, ' The importance of configurational disorder in crystal structure prediction: the case of loratadine ', Faraday Discussions, vol. 211, no. 0, pp. 209-234 . https://doi.org/10.1039/C8FD00072G

Loratadine, an over-the-counter antihistamine medication, has two known monotropically related polymorphs, both of which feature disorder. A combined experimental and computational approach using variable temperature single crystal X-ray diffraction

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef64829fd4a3eb6d492a5a0bf40da78e
https://www.research.manchester.ac.uk/portal/en/publications/the-importance-of-configurational-disorder-in-crystal-structure-prediction-the-case-of-loratadine(cd6372a2-5772-44f1-b4d7-b75aad0eacb4).html

Continuous Cocrystallization for Dissolution Rate Optimization of a Poorly Water-Soluble Drug

Autor: Sheelagh A. Halsey, Hiren G. Moradiya, Muhammad T. Islam, Martin J. Snowden, Grahame Woollam, Ian J. Slipper, Dennis Douroumis

Publikováno v: Crystal Growth & Design. 14:189-198

A continuous manufacturing process, hot melt extrusion (HME), was employed for the development of high quality carbamazepine–saccharin (CBZ–SCH) cocrystals. The produced cocrystals were compared with a prototype prepared by a solvent method. It w

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::03f8bd365726d85d1718b091995d7427
https://doi.org/10.1021/cg401375a

The influence of aqueous content in small scale salt screening--improving hit rate for weakly basic, low solubility drugs

Autor: Jörg Berghausen, Christopher Towler, Peter Tarsa, Grahame Woollam

Publikováno v: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences. 41(1)

Salt screening and selection is a well established approach for improving the properties of drug candidates, including dissolution rate and bioavailability. Typically during early development only small amounts of compound are available for solid sta

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78779487dcc27d1a2067b15e72bf117b
https://pubmed.ncbi.nlm.nih.gov/20553863