Modeling and prediction of cocrystal phase diagrams

In this paper, a new approach to model cocrystal phase diagrams is presented. Starting from an initial set of data, the phase diagram is obtained from discontinuous isoperibolic thermal analysis (DITA) and basic thermodynamic data (enthalpies and solubilities). The solubility product constant may th...

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Bibliographic Details
Published inInternational journal of pharmaceutics Vol. 374; no. 1; pp. 82 - 89
Main Authors Ainouz, Abigail, Authelin, Jean-René, Billot, Pascal, Lieberman, Harvey
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 05.06.2009
Elsevier
Subjects
Biological and medical sciences
Cocrystals
Crystal engineering
Crystallization
Excipients - chemistry
General pharmacology
Glutarates - chemistry
Medical sciences
Models, Chemical
Pharmaceutical Preparations - chemistry
Pharmaceutical technology. Pharmaceutical industry
Pharmaceuticals
Pharmacology. Drug treatments
Phase diagram
Phase Transition
Solubility
Solvents - chemistry
Thermodynamics
Crystal engineering
Thermodynamics
Phase diagram
Cocrystals
Solubility
Pharmaceuticals
Pharmaceutical technology
Prediction
Modeling
Physicochemical properties
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Summary:In this paper, a new approach to model cocrystal phase diagrams is presented. Starting from an initial set of data, the phase diagram is obtained from discontinuous isoperibolic thermal analysis (DITA) and basic thermodynamic data (enthalpies and solubilities). The solubility product constant may then be determined. Since this constant is solvent independent, extrapolation to other solvents is possible. Application of this technique to an active pharmaceutical ingredient and glutaric acid demonstrates good agreement between calculated and experimental data.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0378-5173
1873-3476
DOI:10.1016/j.ijpharm.2009.03.016