Experimental, modeling and molecular dynamics simulation of codeine phosphate dissolution in N-methyl-2-pyrrolidone + ethanol
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Author (Corporation)
Publication date
20.09.2023
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Type
01A - Journal article
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Parent work
Pharmaceutical Sciences
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DOI of the original publication
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Series
Series number
Volume
30
Issue / Number
1
Pages / Duration
109-115
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Publisher / Publishing institution
TUOMS Press
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Abstract
Background: There is only limited data for solubility of codeine phosphate in binary systems available, which comes with uncertainties about the prediction accuracy of common thermodynamic models.
Methods: This study investigated the codeine phosphate dissolution in N-methyl-2-pyrrolidone(NMP) and ethanol system using shake-flask method and mathematically described generated data by different thermodynamic models. The density as another property was also determined and fitted to the results of the Jouyban-Acree equation. The mean relative deviations were obtained to confirm the model’s accuracy. Moreover, ΔHº, ΔSº, and ΔGº of the dissolution of codeine phosphate in the NMP and ethanol system were calculated using the desired equations at Thm.
Results: The dissolution process of codeine phosphate was identified as endotherm, the solubility in the binary mixtures was best at higher mass fractions of NMP and finally, the model predictions were deemed as excellent based on a mean relative deviation that was generally below eight percent.
Conclusion: The results of this study could expand the available solubility database for codeine phosphate.
Keywords
Binary solvent mixture, Codeine phosphate, Cosolvency equations, Solubility
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ISBN
ISSN
1735-403X
2383-2886
2383-2886
Language
English
Created during FHNW affiliation
Yes
Strategic action fields FHNW
Publication status
Published
Review
Peer review of the complete publication
Open access category
Diamond
License
Citation
Rezaei, H., Kuentz, M., Zhao, H., Rahimpour, E., & Jouyban, A. (2023). Experimental, modeling and molecular dynamics simulation of codeine phosphate dissolution in N-methyl-2-pyrrolidone + ethanol. Pharmaceutical Sciences, 30(1), 109–115. https://doi.org/10.34172/PS.2023.2