Next Article in Journal
Anticancer Activity of γ-Bisabolene in Human Neuroblastoma Cells via Induction of p53-Mediated Mitochondrial Apoptosis
Previous Article in Journal
The Role of fadD19 and echA19 in Sterol Side Chain Degradation by Mycobacterium smegmatis
Previous Article in Special Issue
New Aspects in the Formulation of Drugs Based on Three Case Studies
Article Menu
Issue 5 (May) cover image

Export Article

Open AccessArticle
Molecules 2016, 21(5), 593; doi:10.3390/molecules21050593

Predicting the Solubility of Pharmaceutical Cocrystals in Solvent/Anti-Solvent Mixtures

Department of Chemical and Biochemical Engineering, Laboratory of Thermodynamics, TU Dortmund University, Emil-Figge-Str. 70, D-44227 Dortmund, Germany
*
Author to whom correspondence should be addressed.
Academic Editor: Sohrab Rohani
Received: 17 March 2016 / Revised: 28 April 2016 / Accepted: 29 April 2016 / Published: 7 May 2016
(This article belongs to the Special Issue Crystallization of Pharmaceuticals)
View Full-Text   |   Download PDF [7146 KB, uploaded 7 May 2016]   |  

Abstract

In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes. Modeling results and experimental data were compared for the cocrystal system nicotinamide/succinic acid (2:1) in the solvent/anti-solvent mixtures ethanol/water, ethanol/acetonitrile and ethanol/ethyl acetate at 298.15 K and in the ethanol/ethyl acetate mixture also at 310.15 K. The solubility of the investigated cocrystal slightly increased when adding small amounts of anti-solvent to the solvent, but drastically decreased for high anti-solvent amounts. Furthermore, the solubilities of nicotinamide, succinic acid and the cocrystal in the considered solvent/anti-solvent mixtures showed strong deviations from ideal-solution behavior. However, by accounting for the thermodynamic non-ideality of the components, PC-SAFT is able to predict the solubilities in all above-mentioned solvent/anti-solvent systems in good agreement with the experimental data. View Full-Text
Keywords: cocrystal; crystal engineering; thermodynamics; solubility; phase diagram; solvent mixtures cocrystal; crystal engineering; thermodynamics; solubility; phase diagram; solvent mixtures
Figures

Figure 1

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).

Supplementary material

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Lange, L.; Heisel, S.; Sadowski, G. Predicting the Solubility of Pharmaceutical Cocrystals in Solvent/Anti-Solvent Mixtures. Molecules 2016, 21, 593.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]

Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top