Structural elucidation of rapid solution-mediated phase transitions in pharmaceutical solids using in situ synchrotron SAXS/WAXS

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dc.contributor.authorBoetker, J.
dc.contributor.authorRades, T.
dc.contributor.authorRantanen, J.
dc.contributor.authorHawley, A.
dc.contributor.authorBoyd, B.J.
dc.date.issued2012
dc.description.abstractIn 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.
dc.description.statementofresponsibilityJohan Boetker, Thomas Rades, Jukka Rantanen, Adrian Hawley and Ben J. Boyd
dc.identifier.citationMolecular Pharmaceutics, 2012; 9(9):2787-2791
dc.identifier.doi10.1021/mp3003072
dc.identifier.issn1543-8384
dc.identifier.issn1543-8392
dc.identifier.orcidRades, T. [0000-0002-7521-6020]
dc.identifier.urihttp://hdl.handle.net/2440/110321
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.relation.granthttp://purl.org/au-research/grants/arc/DP120104032
dc.rights© 2012 American Chemical Society
dc.source.urihttps://doi.org/10.1021/mp3003072
dc.subjectPolymorph; solvent; synchrotron SAXS; theophylline; kinetics
dc.titleStructural elucidation of rapid solution-mediated phase transitions in pharmaceutical solids using in situ synchrotron SAXS/WAXS
dc.typeJournal article
pubs.publication-statusPublished

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