Type

Journal Article

Authors

Andrea Erxleben
Patrick McArdle
Clare M. Crowley
Pól MacFhionnghaile

Subjects

Chemistry

Topics
relative humidity co crystallization calorimetry differential scanning caffeine data analysis x ray diffraction powder x ray room temperature

Spontaneous solid-state co-crystallization of caffeine and urea (2020)

Abstract The full text of this article will not be available in ULIR until the embargo expires on the 09/01/2021 The co-crystallization of caffeine and urea was monitored and analyzed using infrared spectroscopy, Raman microscopy, scanning electron microscopy, differential scanning calorimetry and X-ray diffraction. The caffeine-urea co-crystal was shown to form spontaneously over several weeks under low energy mixing of the solids at room temperature and low relative humidity (<30%). Pre-milling the two coformers separately accelerated the process and the co-crystal formation could be detected within three days. When caffeine and urea were milled together, the physical mixture that was confirmed by X-ray powder diffraction immediately after milling transformed to the co-crystal within hours of storage at room temperature and 30 % relative humidity. The scanning electron microscopy images of the milled sample indicated the role of inter-particle surface contact in the spontaneous solidstate reaction. Multivariate data analysis was used to find the optimum cooling crystallization conditions for obtaining co-crystals suitable for single crystal X-ray analysis.
Collections Ireland -> University of Limerick -> Synthesis and Solid State Pharmaceutical Centre
Ireland -> University of Limerick -> Centres Science and Engineering
Ireland -> University of Limerick -> Faculty of Science and Engineering

Full list of authors on original publication

Andrea Erxleben, Patrick McArdle, Clare M. Crowley, Pól MacFhionnghaile

Experts in our system

1
Andrea Erxleben
University of Limerick
Total Publications: 10
 
2
Patrick McArdle
National University of Ireland Galway
Total Publications: 23
 
3
Clare M. Crowley
University of Limerick
Total Publications: 5