Please use this identifier to cite or link to this item: http://hdl.handle.net/2440/110321
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Type: Journal article
Title: Structural elucidation of rapid solution-mediated phase transitions in pharmaceutical solids using in situ synchrotron SAXS/WAXS
Author: Boetker, J.
Rades, T.
Rantanen, J.
Hawley, A.
Boyd, B.
Citation: Molecular Pharmaceutics, 2012; 9(9):2787-2791
Publisher: American Chemical Society
Issue Date: 2012
ISSN: 1543-8384
1543-8392
Statement of
Responsibility: 
Johan Boetker, Thomas Rades, Jukka Rantanen, Adrian Hawley and Ben J. Boyd
Abstract: In situ elucidation of kinetics of solution-mediated phase transformations using direct structural determination has been achieved using synchrotron SAXS/WAXS radiation. Using theophylline as a model drug with known phase transformation from anhydrate to monohydrate form in aqueous conditions within a few minutes, the kinetics of the structural transition were resolved at the second scale, and the results achieved agreed well with those determined using indirect approaches such as Raman spectroscopy. The recrystallization of the monohydrate in situ (due to its lower solubility) from dissolved anhydrate solution (higher solubility) is demonstrated directly, highlighting a major issue for such compounds in application. The technique has the additional benefit of having the potential to identify intermediate structures which are not readily achievable with in situ spectroscopic techniques, as well as being amenable to high throughput approaches.
Keywords: Polymorph; solvent; synchrotron SAXS; theophylline; kinetics
Rights: © 2012 American Chemical Society
RMID: 0030078081
DOI: 10.1021/mp3003072
Grant ID: http://purl.org/au-research/grants/arc/DP120104032
Appears in Collections:Medicine publications

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