Experimental and Computational Methods Pertaining to Drug Solubility

Jouyban, Abolghasem; Fakhree, Mohammad Amin Abolghassemi

doi:10.5772/19206

Cited by 86 publications

(77 citation statements)

References 73 publications

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“…Various solubility determination procedures were reviewed in a recent work. 19 The solubility was determined using the saturation shake-flask method of Higuchi and Connors. 20 An excess amount of CVD dissolved in the solvent was placed on a shaker (Behdad, Tehran, Iran) and equilibrated in an incubator equipped with a temperature-controlling system at different temperatures with the uncertainty of 0.2 K (Nabziran, Tabriz, Iran).…”

Section: Methodsmentioning

confidence: 99%

Solubility of Carvedilol in Ethanol + Propylene Glycol Mixtures at Various Temperatures

Vahdati

Shayanfar

Hanaee

et al. 2013

Ind. Eng. Chem. Res.

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223

175

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Solubilities of carvedilol (CVD) in binary mixtures of (ethanol + propylene glycol (PG)) at 298.2, 303.2, 308.2, and 313.2 K are reported. The modified versions of the van't Hoff and Gibbs equations were used to calculate the thermodynamic properties (enthalpy (ΔH°), entropy (ΔS°), and Gibbs energy (ΔG°) standard changes of solutions) for CVD dissolved in (ethanol (1) + PG (2)) mixtures from the solubility data. The solubility data of CVD in (ethanol (1) + PG (2)) at different temperatures were correlated using different mathematical models, i.e., the Jouyban−Acree model, a combination of the Jouyban−Acree model with the van't Hoff model, and two modified versions of the Jouyban−Acree model. Solubility data of seven drugs in (ethanol (1) + PG (2)) at different temperatures were used to develop a quantitative structure−property relationship model for predicting solubility in solvent mixtures. In addition, enthalpy−entropy compensation using ΔH°vs ΔG°a nd ΔH°vs TΔS°which explains the mechanism of cosolvency at different temperatures was discussed.

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Section: Methodsmentioning

confidence: 99%

Solubility of Carvedilol in Ethanol + Propylene Glycol Mixtures at Various Temperatures

Vahdati

Shayanfar

Hanaee

et al. 2013

Ind. Eng. Chem. Res.

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223

175

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“…The solute solubility is determined employing various techniques which are reviewed in a recent work. 8 The common so-called synthetic method 9 is based on the disappearance of the solid solute from the solution as monitored by a laser beam. A lab-made setup was applied for the measurement of the solubility of TRIS in MeOH + 1-PrOH mixtures.…”

Section: ■ Experimental Sectionmentioning

confidence: 99%

Solubility of Tris(hydroxymethyl)aminomethane in Methanol + 1-Propanol Mixtures at Various Temperatures

Jouyban-Gharamaleki

Soleymani

et al. 2014

J. Chem. Eng. Data

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Solubility of tris(hydroxymethyl)aminomethane (TRIS) in various mass fractions of binary solvent mixtures of methanol and 1-propanol [at (293.2, 298.2, 303.2, 308.2, and 313.2) K] was measured and mathematically represented using the Jouyban-Acree model. The correlated mole fraction solubilities are in good agreement with the corresponding experimental values with an overall mean percentage deviation of 1.7%. Densities of saturated solutions of TRIS in pure methanol and 1-propanol at various temperatures were measured and employed to predict the density of saturated solutions of TRIS in their binary solvent mixtures. ■ INTRODUCTIONBuffer solutions composed of binary solvents are used as mobile phases and/or background electrolytes in analytical separation methods such as liquid chromatography or capillary electrophoresis, where the low solubility of the buffering agents at higher concentrations of the low polar solvent may cause practical problems. Using nonaqueous based mobile phases and/or running buffers, suitable analytical methods enable analyzing highly hydrophobic analytes or compounds that exhibit restricted stability in aqueous media. 1 Addition of the second organic solvent to aqueous solutions alters the solubility of the analyte, the resolution of analytes, or determine other relevant analytical parameters like pK a values, partition coefficients or electrophoretic mobilities. 2,3 In addition to these applications, the solubility data of TRIS is also required in solubilization/crystallization studies. The common method for obtaining a solute's solubility is the trial and error approach which is a time-consuming and costly method. Any predictive tool to estimate the best solvent composition for solubilization/ crystallization of Tris(hydroxymethyl)aminomethane (TRIS) is obviously in demand.TRIS (chemical abstract service number 77-86-1) is a common buffering agent in chemical and biochemical areas. It is used in nonaqueous solvents for analytical and separation purposes. Available solubility data of TRIS in various solvent mixtures is reviewed in a recent publication 4 along with reporting TRIS solubility in water + methanol (MeOH) 2 and water + 1-propanol (1-PrOH) 5 mixtures at 293.2 to 313.2 K. A quick survey on the published pharmaceutical analysis methods showed that MeOH + 1-PrOH has been used in some developed analytical methods. 6 To continue our systematic investigations on the solubility of solutes in solvent mixtures, the solubility of TRIS in MeOH + 1-PrOH mixtures at different temperatures [(293.2, 298.2, 303.2, 308.2, and 313.2) K] was measured using a validated labmade setup. 4,7 The trained version of a mathematical model is presented to provide a predictive tool for calculation of the solubility of TRIS at any composition of MeOH + 1-PrOH solvent mixture and at any temperature in the range mentioned.■ EXPERIMENTAL SECTION Materials. TRIS (with the stated purity of 0.999 in mass fraction) and MeOH (mass fraction purity of 0.999) were purchased from Merck (Germany). 1-PrOH (ma...

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“…The commonly used solubility determination methods were reviewed recently [37]. In the present work, the saturation shake-flask method of Higuchi and Connors [38] was used.…”

Section: Solubility Determinationmentioning

confidence: 99%

Solubilization of Clonazepam, Diazepam and Lamotrigine Using Ethanol and Sodium Dodecyl Sulfate

et al. 2014

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The apparent solubilities of clonazepam, diazepam and lamotrigine in binary mixtures of ethanol ? water at 298.2 K in the presence of three different concentrations of sodium dodecyl sulfate (SDS) are reported. Using this approach, 2250, 7733, and 153 times enhancement in the aqueous solubility of clonazepam, diazepam, and lamotrigine were achieved, respectively. Melting point and polar surface area were determined as indicators of solubility enhancement by SDS and ethanol, respectively. The Jouyban-Acree model was used for correlating the reported data and the obtained mean relative deviations are 7.2, 10.0 and 7.9 %, respectively. When all data points of clonazepam, diazepam and lamotrigine in binary solvents at various SDS concentrations were fitted to the model, the mean relative deviations are 10.0, 17.3, and 11.8 %, respectively. The results reveal that the model could be used for mathematical representation of cosolvent and surfactant concentrations on the solubility of these pharmaceuticals. This study shows that for aqueous solutions SDS is a solubility enhancer in the presence of organic solvents and this could be helpful in reducing the need for organic solvents in pharmaceutical dosage forms where avoidance of higher concentrations of organic solvents is desirable.

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Experimental and Computational Methods Pertaining to Drug Solubility

Cited by 86 publications

References 73 publications

Solubility of Carvedilol in Ethanol + Propylene Glycol Mixtures at Various Temperatures

Solubility of Carvedilol in Ethanol + Propylene Glycol Mixtures at Various Temperatures

Solubility of Tris(hydroxymethyl)aminomethane in Methanol + 1-Propanol Mixtures at Various Temperatures

Solubilization of Clonazepam, Diazepam and Lamotrigine Using Ethanol and Sodium Dodecyl Sulfate

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