Predicting the solubility of pharmaceutical cocrystals in solvent/anti-solvent mixtures
| dc.contributor.author | Lange, Linda | |
| dc.contributor.author | Heisel, Stefan | |
| dc.contributor.author | Sadowski, Gabriele | |
| dc.date.accessioned | 2019-10-25T13:06:09Z | |
| dc.date.available | 2019-10-25T13:06:09Z | |
| dc.date.issued | 2016-05-07 | |
| dc.description.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. | en |
| dc.identifier.uri | http://hdl.handle.net/2003/38300 | |
| dc.identifier.uri | http://dx.doi.org/10.17877/DE290R-20270 | |
| dc.language.iso | en | de |
| dc.relation.ispartofseries | Molecules;21(5) | |
| dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | Cocrystal | en |
| dc.subject | Crystal engineering | en |
| dc.subject | Thermodynamics | en |
| dc.subject | Solubility | en |
| dc.subject | Phase diagram | en |
| dc.subject | Solvent mixtures | en |
| dc.subject.ddc | 660 | |
| dc.subject.rswk | Kokristallisation | de |
| dc.subject.rswk | Pharmazeutische Chemie | de |
| dc.title | Predicting the solubility of pharmaceutical cocrystals in solvent/anti-solvent mixtures | en |
| dc.type | Text | de |
| dc.type.publicationtype | article | de |
| dcterms.accessRights | open access | |
| eldorado.secondarypublication | true | de |
| eldorado.secondarypublication.primarycitation | Lange, L.; Heisel, S.; Sadowski, G. Predicting the Solubility of Pharmaceutical Cocrystals in Solvent/Anti-Solvent Mixtures. Molecules 2016, 21, 593. | de |
| eldorado.secondarypublication.primaryidentifier | https://doi.org/10.3390/molecules21050593 | de |