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A new 1:1 drug-drug cocrystal of theophylline and aspirin: discovery,characterization and construction of ternary phase diagrams
Date
2018
Abstract
A new 1:1 drug-drug cocrystal of theophylline (THP) and aspirin (ASP) was successfully prepared by liquid assisted grinding, evaporative crystallization and slurry conversion crystallization. The obtained cocrystal was comprehensively characterized by Single Crystal X-ray Diffraction, Powder X-ray diffraction, Differential Scanning Calorimetry, Thermogravimetric analysis, Scanning Electron Microscopy and Fourier Transform Infrared analysis. Ternary phase diagrams (TPDs) were constructed for the obtained cocrystal in isopropyl alcohol at two different temperatures, i.e. 20 and 40°C. A narrow stability region was found for the pure THP-ASP cocrystal in the phase diagram at both temperatures. By proper selection of the ratios between THP, ASP and IPA from the stability region, THP-ASP cocrystals could be purely produced by isothermal slurry conversion in IPA. In addition, molecular modelling was deployed to provide mechanistic insights into the formation of this THP-ASP cocrystal system
Supervisor
Description
peer-reviewed
Publisher
American Chemical Society
Citation
Crystal Growth and Design;18 (12), pp., 7526-7532
Files
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Darwish_2018_Anew.pdf
Adobe PDF, 897.51 KB
ULRR Identifiers
Funding code
Funding Information
Science Foundation Ireland (SFI), Higher Education Authority (HEA)