Correct derivation of a combined version of the Jouyban–Acree and van’t Hoff model and some comments on ‘Determination and correlation of the solubility of myricetin in ethanol and water mixtures from 288.15 to 323.15 K’

Jouyban, Abolghasem; Martínez, Fleming; Acree, William E.

doi:10.1080/00319104.2016.1177725

Cited by 9 publications

(10 citation statements)

References 16 publications

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“…30 from their manipulations and the correct derivation could be obtained from a similar manipulations on Eq. 24 as has been shown in previous papers (79,80).…”

Section: Cosolvency Models At Various Temperatures Semi-theoretical Msupporting

confidence: 74%

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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“…30 from their manipulations and the correct derivation could be obtained from a similar manipulations on Eq. 24 as has been shown in previous papers (79,80).…”

Section: Cosolvency Models At Various Temperatures Semi-theoretical Msupporting

confidence: 74%

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 correct derivation has been reported in an earlier work that is repeated here in a shortened form for the convenience of readers. The original version of the Jouyban–Acree model is in which x 1, T is the solubility of the solute in the mixed solvent at the temperature of interest and ( x 1 ) 2, T and ( x 1 ) 3, T are the solubilities of the solute in neat ethanol (or acetone) and water at T .…”

mentioning

confidence: 75%

“…In conclusion, discussions regarding the correct derivation of a mathematical representation based on a combination of the van’t Hoff and Jouyban–Acree models were given. The mathematical representation has been used by several research groups − in reporting their measured solubility data; however, the authors incorrectly state that the final equation is a simple transformation of the Jouyban–Acree model. Research groups often fail to mention that one must describe the solubility in the two mixture cosolvents with the van’t Hoff model in order to correctly arrive at eq .…”

mentioning

confidence: 99%

Correct Derivation of Cosolvency Models and Some Comments on “Solubility of Fenofibrate in Different Binary Solvents: Experimental Data and Results of Thermodynamic Modeling”

Jouyban¹,

Martínez

Acree

2017

J. Chem. Eng. Data

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The experimental solubility data of fenofibrate in binary aqueous mixtures of ethanol and acetone has been reanalyzed. A correct mathematical derivation is provided for the correlation expression from a combination of the van't Hoff and Jouyban−Acree models. Sun et al. used the expression in their study. However, it erroneously implied that the expression resulted from a simple transformation of the Jouyban−Acree model.

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“…The Apelblat–Jouyban–Acree model (eq ) and the van’t Hoff–Jouyban–Acree model (eq ) are classic thermodynamic models use to correlate solubilities in binary systems. where x 3 is the mole fraction of lanosterol in a binary mixture, w 1 and w 2 are water and alcohol mass fractions free of lanosterol, respectively. A 1 , B 1 , C 1 , A 2 , B 2 , C 2 , J 0 , J 1 , and J 2 are fitting parameters.…”

Section: Data Correlationmentioning

confidence: 99%

“…Apelblat−Jouyban−Acree and van't Hoff−Jouyban− Acree Models. The Apelblat−Jouyban−Acree model (eq 23) and the van't Hoff−Jouyban−Acree model (eq 24) 27 are classic thermodynamic models use to correlate solubilities in binary systems.…”

Section: ■ Data Correlationmentioning

confidence: 99%

Solubility of Lanosterol in Organic Solvents and in Water–Alcohol Mixtures at 101.8 kPa

Forciniti

2020

J. Chem. Eng. Data

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Lanosterol is a sterol derivative whose physicochemical properties are poorly understood. Pure lanosterol (>95%) was isolated from a crude product (54.6%) by a newly developed C18 reverse-phase high-performance liquid chromatography (HPLC) method. Purity and structure were confirmed by gas chromatography–mass spectrometry (GC–MS). The melting temperature and fusion enthalpy were determined to be 408.27 K and 23.61 kJ/mol, respectively. The solubility of lanosterol was measured in methanol, ethanol, isopropanol, n-propanol, acetonitrile, acetone, N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), ethyl acetate, water, water–methanol, water–isopropanol, and water–ethanol binary systems using a static equilibrium setup from 277.09 to 338.78 K. The solid phases were characterized by X-ray diffraction and by scanning differential calorimetry. The solubility of lanosterol increases with an increase in temperature. The mole fraction of lanosterol in organic solvents has a minimum of 3.0 × 10–5 in methanol at 277.78 K and a maximum of 0.0048 in n-propanol at 318.93 K. The solubilities of lanosterol in organic solvents were correlated by the modified Apelblat equation and by the Wilson, NRTL, and UNIQUAC models. Furthermore, the binary water–alcohol systems were correlated by the Apelblat–Jouyban–Acree and the van’t Hoff–Jouyban–Acree models.

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Correct derivation of a combined version of the Jouyban–Acree and van’t Hoff model and some comments on ‘Determination and correlation of the solubility of myricetin in ethanol and water mixtures from 288.15 to 323.15 K’

Cited by 9 publications

References 16 publications

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

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

Correct Derivation of Cosolvency Models and Some Comments on “Solubility of Fenofibrate in Different Binary Solvents: Experimental Data and Results of Thermodynamic Modeling”

Solubility of Lanosterol in Organic Solvents and in Water–Alcohol Mixtures at 101.8 kPa

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