Solubility prediction of polycyclic aromatic hydrocarbons in non-aqueous solvent mixtures

Jouyban, Abolghasem; Shayanfar, Ali; Acree, William E.

doi:10.1016/j.fluid.2010.02.014

Cited by 59 publications

(32 citation statements)

References 62 publications

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“…In this work, three models widely used solid-liquid phase equilibrium are employed to correlate the solubility of ACET in binary solvent mixtures of (acetone + methanol), (acetone + ethanol), (acetone + 1-butanol) and (acetone + isopropanol) at various temperatures. These are the Jouyban-Acree model [21][22][23][24], a combination of the Jouyban-Acree model with the van't Hoff equation [25,26] and a combination of the modified Apelblat equation with the Jouyban-Acree model [27,28].…”

Section: Solubility Modelsmentioning

confidence: 99%

Solubility measurement and modelling of ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)-2-thiophenecarboxylate in four groups mixed solvents

Han

Zhao

2016

The Journal of Chemical Thermodynamics

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Section: Solubility Modelsmentioning

confidence: 99%

Solubility measurement and modelling of ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)-2-thiophenecarboxylate in four groups mixed solvents

Han

Zhao

2016

The Journal of Chemical Thermodynamics

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“…in which A 1 , B 1 , A 2 and B 2 are the coefficients of the van't Hoff equation for solutions of the monosolvents 1 and 2 [7,[13][14][15]. The J terms of Eqs.…”

Section: Methodsmentioning

confidence: 99%

Thermodynamic studies of fluphenazine decanoate solubility in PEG 200+water mixtures

Panahi‐Azar

Ahmadian

Martínez

et al. 2012

Fluid Phase Equilibria

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“…To provide a more practical version of the model to calculate drug solubility in solvent mixtures, the Jouyban-Acree model could be combined with van't Hoff equation as (69,74,75):…”

Section: Cosolvency Models At Various Temperatures Semi-theoretical Mmentioning

confidence: 99%

Review of the Cosolvency Models for Predicting Drug Solubility in Solvent Mixtures: An Update

Jouyban

2019

J Pharm Pharm Sci

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119

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The cosolvency models frequently used in solubility data modeling of drugs in mixed solvents were reviewed and their accuracies for calculating the solubility of solutes were briefly discussed. The models could be used either for correlation of the generated solubility data with temperature, solvent composition etc or for prediction of unmeasured solubility data using interpolation/extrapolation technique. Concerning the correlation results employing a given number of independent variables, the accuracies of the investigated models were comparable, since they could be converted to a single mathematical form, however, the accuracies were decreased when models emplyed more independent variables. The accurate correlative models could be employed for prediction purpose and/or screening the experimental solubility data to detect possible outliers. With regard to prediction results, the best predictions were made using the cosolvency models trained by a minimum number of experimental data points and an ab initio accurate prediction is not possible so far and further mathematical efforts are needed to provide such a tool. To connect this gap between available accurate correlative models with the ab initio predictive model, the generally trained models for calculating the solubility of various drugs in different binary mixtures, various drugs in a given binary solvent and also a given drug in various binary solvents at isothermal condition and/or different temperatures were reported. Available accuracy criteria used in the recent publications were reviewed including mean percentage deviation (MPD). The MPD for correlative models is 1-10% whereas the corresponding range for predictive models is 10-80% depend on the model capability and the number of independent variables employed by the model. This is an update for a review article published in this journal in 2008.

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Solubility prediction of polycyclic aromatic hydrocarbons in non-aqueous solvent mixtures

Cited by 59 publications

References 62 publications

Solubility measurement and modelling of ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)-2-thiophenecarboxylate in four groups mixed solvents

Solubility measurement and modelling of ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)-2-thiophenecarboxylate in four groups mixed solvents

Thermodynamic studies of fluphenazine decanoate solubility in PEG 200+water mixtures

Review of the Cosolvency Models for Predicting Drug Solubility in Solvent Mixtures: An Update

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