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Theoretical Model and Experimental Investigations on Solution-Mediated Polymorphic Transformation of Theophylline: From Polymorph I to Polymorph II

1, 1,2,*, 1,2, 1,2, 1,2, 1 and 1,2,*
1
National Engineering Research Center of Industrial Crystallization Technology, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
2
Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072, China
*
Authors to whom correspondence should be addressed.
Crystals 2019, 9(5), 260; https://doi.org/10.3390/cryst9050260
Received: 8 May 2019 / Accepted: 17 May 2019 / Published: 19 May 2019
(This article belongs to the Special Issue Anti-Solvent Crystallization)
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Abstract

In this work, theophylline was selected as the model compound to study and simulate the solution-mediated polymorphic transformation. The polymorph I and polymorph II of theophylline were prepared and fully characterized. Raman and UV spectra methods were carried out to observe the phase transformation of theophylline from polymorph I to polymorph II at different temperatures. The theoretical models, including dissolution model, nucleation model, and growth model, were established to describe and simulate the transformation processes. By combination of experiments and simulations, the controlling steps of the transformation processes were discussed. The effects of temperature and/or solvent on the transformation processes were evaluated. This work can shed light on the polymorphic transformation processes. View Full-Text
Keywords: theophylline; polymorphic transformation; temperature; solvent; mathematical model theophylline; polymorphic transformation; temperature; solvent; mathematical model
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Zhu, M.; Wang, Y.; Li, F.; Bao, Y.; Huang, X.; Shi, H.; Hao, H. Theoretical Model and Experimental Investigations on Solution-Mediated Polymorphic Transformation of Theophylline: From Polymorph I to Polymorph II. Crystals 2019, 9, 260.

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