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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Review of the cosolvency models for predicting solubility in solvent mixtures: An update.

Solid-liquid equilibrium and thermodynamic properties of dipyridamole form II in pure solvents and mixture of (N-methyl pyrrolidone + isopropanol)

Safety Issue on PCM-based Battery Thermal Management: Material Thermal Stability and System Hazard Mitigation

Solubility measurement, model evaluation and molecular simulations of aprepitant (form I) in eight pure solvents

Uncovering the solubility behavior of vitamin B6 hydrochloride in three aqueous binary solvents by thermodynamic analysis and molecular dynamic simulation

Thermodynamic analysis and molecular dynamic simulation of the solubility of vortioxetine hydrobromide in three binary solvent mixtures

Solid-liquid equilibrium behavior and thermodynamic analysis of dipyridamole in pure and binary solvents from 293.15 K to 328.15 K

Metal-based phase change material (PCM) microcapsules/nanocapsules: Fabrication, thermophysical characterization and application

Solid-liquid phase equilibrium and thermodynamic analysis of metal dithiolene complex: The case of zinc dibutyldithiocarbamate

The solubility of isoniazid (INH) in eight pure solvents (water, methanol, ethanol, n-propanol, isopropyl alcohol, DMF, ethyl acetate, and acetonitrile) and three binary solvent mixtures of methanol–water, ethanol–water, and isopropyl alcohol–water were experimentally determined by gravimetric method at temperatures ranging from (283.15 to 323.15) K. Expectedly, the solubility displays temperature dependence, and the most remarkable change was found in water. In all three binary solvent mixtures, INH solubility bears a maximum at 0.2–0.4 mole fraction of alcohols, and the maximum solubility values were found varying with temperature. The experimental solubility data were well correlated by the modified Apelblat, van’t Hoff, CNIBS/R–K, and Apel–JA equations. Among these models, the modified Apelblat model produces the best fitting results.

Shuo Wang

Papers

Thermodynamic analysis and molecular dynamic simulation of the solubility of vortioxetine hydrobromide in three binary solvent mixtures

Solid-liquid equilibrium behavior and thermodynamic analysis of dipyridamole in pure and binary solvents from 293.15 K to 328.15 K

Metal-based phase change material (PCM) microcapsules/nanocapsules: Fabrication, thermophysical characterization and application

Solid-liquid phase equilibrium and thermodynamic analysis of metal dithiolene complex: The case of zinc dibutyldithiocarbamate

Solubility and Data Correlation of Isoniazid in Different Pure and Binary Mixed Solvent Systems from 283.15 K to 323.15 K