Solubility and Thermodynamics Data of Cabozantinib Malate in Various Aqueous Solutions of Dimethyl Sulfoxide at Different Temperatures.

Cabozantinib malate (CBZM), a new anticancer medication, has been studied for its solubility and thermodynamic properties in a variety of {dimethyl sulfoxide (DMSO) + water (H2O)} mixtures at 298.2-318.2 K and 101.1 kPa. Using the shake flask technique, the solubility of CBZM was assessed and the results were correlated to the van't Hoff, Apelblat, Buchowski-Ksiazczak λh, Yalkowsky-Roseman, Jouyban-Acree, and Jouyban-Acree-van't Hoff models. There was a significant correlation between the experimental CBZM solubility data and all computational models, as evidenced by the error values for all computational models being less than 5.0%. Temperature and DMSO mass percentage improved the CBZM mole fraction solubility in the cosolvent solutions of {DMSO + H2O}. At 318.2 K, pure DMSO had the highest mole fraction solubility of CBZM (4.38 × 10-2), whereas pure H2O had the lowest mole fraction solubility (2.24 × 10-7 at 298.2 K). The positive values of computed thermodynamic parameters indicated that the dissolution of CBZM was endothermic and entropy-driven in all of the {DMSO + H2O} solutions investigated. It was found that the CBZM solvation in {DMSO + H2O} solutions is governed by enthalpy. When compared to CBZM-H2O, CBZM-DMSO showed the highest molecular interactions. The findings of this investigation demonstrated that DMSO has a great deal of potential for CBZM solubilization in H2O.

Solubility determination and solution thermodynamics of olmesartan medoxomil in (PEG-400 + water) cosolvent mixtures.

The solubility and solution thermodynamic properties of a weakly water-soluble compound olmesartan medoxomil (OLM) in binary 'polyethylene glycol (PEG-400) + water' cosolvent compositions were determined. The 'mole fraction solubility (x e)' of OLM in binary 'PEG-400 + water' cosolvent compositions and pure solvents (PEG-400 and water) was determined at 'T = 295.15-330.15 K' and 'p = 0.1 MPa'. The Hansen solubility parameter (HSP) of OLM, pure PEG-400, pure water, and binary 'PEG-400 + water' cosolvent compositions free of OLM were also predicted. The obtained x e values of OLM were correlated using 'van't Hoff, modified Apelblat, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-van't Hoff' computational models with the error values of <4.0%. The maximum and minimum x e value of OLM was predicted in neat PEG-400 (1.15 × 10-2 at T = 330.15 K) and neat water (1.90 × 10-7 at T = 295.15 K), respectively. The OLM HSP was predicted to be more close with that of neat PEG-400. The x e value of OLM was found increased significantly with increase in temperature and PEG-400 mass fraction in all 'PEG-400 + water' cosolvent compositions including neat PEG-400 and neat water. An 'apparent thermodynamic analysis' studies presented an 'endothermic and entropy-driven dissolution' of OLM in all 'PEG-400 + water' cosolvent compositions including pure PEG-400 and pure water.

Solubility and thermodynamic analysis of aceclofenac in different {Carbitol + water} mixtures at various temperatures.

The solubility and thermodynamic properties of the anti-inflammatory drug aceclofenace (ACF) have been assessed in a range of {2-(2-ethoxyethoxy)ethanol (Carbitol) + water} combinations at temperatures ranging from 298.2 K to 318.2 K and atmospheric pressure of 101.1 kPa. The shake flask method was employed to determine the solubility of ACF, and various models including "van't Hoff, Apelblat, Buchowski-Ksiazczak λh, Yalkowsky-Roseman, Jouyban-Acree, and Jouyban-Acree-van't Hoff models" were used to validate the results. The computational models demonstrated a strong correlation with the experimental ACF solubility data, as indicated by the error values of < 3.0%. In the compositions of {Carbitol + water}, the ACF mole fraction solubility was enhanced by temperature and Carbitol mass fraction. The solubility of ACF in mole fraction was found to be lowest in pure water (1.07 × 10- 6 at 298.2 K), and highest in pure Carbitol (1.04 × 10- 1 at 318.2 K). Based on the positive values of the calculated thermodynamic parameters, the dissolution of ACF was determined to be "endothermic and entropy-driven" in all of the {Carbitol + water} solutions that were studied. It was also observed that enthalpy controls the solvation of ACF in solutions containing {Carbitol + water}. ACF-Carbitol had the strongest molecular interactions in contrast to ACF-water. Based on the results of this study, Carbitol holds significant potential for enhancing the solubility of ACF in water.

Extended Hildebrand solubility approach and Yalkowsky-Roseman mode l for estimating the solubility of sulfadiazine and sulfamethazine in some {ethylene glycol (1) + water (2)} mixtures at several temperatures

SUMMARY Aim: extended Hildebrand Solubility Approach (EHSA) and Yalkowsky Roseman (YR) were applied to evaluate the solubility of sulfadiazine, and sulfamethazine in ethylene glycol + water mixtures. Methodology: reported experimental equilibrium solubilities and some fusion properties of these drugs were used for the calculations. Results: a good predictive character of EHSA (with mean deviations lower than 3.0%) were found by using regular polynomials in order two correlating the inter-action parameter W with the Hildebrand solubility parameter of solvent mixtures without drug; however, the results obtained from YR model show relatively high deviations greater than 50%.

Objetivo: aplicar los enfoques de los modelos de Solubilidad Extendido de Hildebrand (EHSA) y Yalkowsky Roseman (YR) para evaluar la solubilidad de sulfadiazina y sulfametazina en mezclas de etilenglicol + agua. Metodología: para los cálculos se utilizaron las solubilidades experimentales en equilibrio reportadas y algunas propiedades de fusión de estos fármacos. Resultados: en particular, se encontró un buen carácter predictivo de EHSA (con desviaciones medias inferiores al 3,0%) utilizando polinomios regulares en orden dos correlacionando el parámetro de interacción W con el parámetro de solubilidad de Hildebrand de mezclas de disolventes sin fármaco; sin embargo, los resultados obtenidos del modelo YR muestran desviaciones relativamente altas superiores al 50%.

Objetivo: aplicar as abordagens dos modelos de Solubilidade Estendida de Hildebrand (EHSA) e Yalkowsky Roseman (YR) para avaliar a solubilidade de sulfadiazina e sulfametazina em misturas de etilenoglicol + água. Metodologia: as solubilidades de equilíbrio experimental relatadas e algumas propriedades de fusão dessas drogas foram usadas para os cálculos. Resultados: em particular, foi encontrado um bom caráter preditivo de EHSA (com desvios médios menores que 3,0%) usando polinômios regulares na ordem dois, correlacionando o parâmetro de interação W com o parâmetro de solubilidade de Hildebrand de misturas de solventes sem fármaco; no entanto, os resultados obtidos com o modelo YR mostram desvios relativamente altos superiores a 50%.

Modelos de Yalkowsky-Roseman y Jouyban-Acree en la estimación de la solubilidad del ketoprofeno en algunas mezclas cosolventes propilenoglicol + agua / Yalkowsky-Roseman and Jouyban-Acree models on estimating the solubility of ketoprofen in some propylene glycol + water cosolvent mixtures

En la presente investigación se evaluó la validez de una adaptación específica del modelo de Jouyban-Acree ( J-A), en comparación con la utilidad de la ecuación logarítmica-lineal de solubilidad propuesta por Yalkowsky y Roseman (Y-R), para estimar la solubilidad del ketoprofeno (KTP) en algunas mezclas cosolventes propilenoglicol + agua, en función de la composición cosolvente y de la temperatura, en el intervalo entre 293,15 y 313,15 K. Los modelos de J-A y Y-R requieren únicamente de los valores experimentales de la solubilidad en equilibrio del fármaco en los solventes puros a las diferentes temperaturas de interés. Desafiando las ecuaciones frente a valores experimentales de solubilidad, se encontró que los valores predichos por los dos modelos semiempíricos son bastante similares entre sí (difiriendo en un promedio de 0,05 unidades logarítmicas naturales), y que además, presentan algunas desviaciones notorias respecto a los valores experimentales, en particular con el modelo Y-R. Estos resultados demostraron la necesidad de mejorar las estrategias teóricas para la estimación de esta propiedad, y así mismo, demostraron la importancia de la determinación experimental de la solubilidad, en función de la temperatura, en todas aquellas mezclas cosolventes que puedan ser útiles durante el proceso de diseño de productos farmacéuticos.

The feasibility of a trained version of the Jouyban-Acree ( J-A) model was evaluated in this research to predict the solubility of ketoprofen (KTP) in some propylene glycol + water cosolvent mixtures. The usefulness of the solubility log-linear equation proposed by Yalkowsky and Roseman (Y-R) was also evaluated for the same drug in this cosolvent system. The solubility estimation was studied as a function of temperature and cosolvent composition. The J-A and Y-R models require only the experimental equilibrium solubility values in the pure solvents at all the temperatures evaluated. The estimated solubility values obtained by using both semiempiric models were similar between them (differing in 0.05 natural logarithmic units), but they present notorious deviations with respect to the experimental values, in particular the Y-R model. These results demonstrated that it is necessary to improve the theoretical strategies for estimating this property, and on the other hand, they also demonstrated the great importance of the experimental determination of drugs solubility in those cosolvent mixtures useful in dosage forms design.

Validez del métddo extendido de hildebrand en l predicción de las solubilidadees de ibuprofén y naproxén en mezclas propilenoglicol + etanol / Valdity of the eextnded hildebrand solubility approach in the estiimation of ibuprofen and naproxen solubilities in propylene glycol + ethanol mixtures / Validez da aroxiimação ampliada da solubilidde de hildebrand na estimação dda solubilidade de ibuprofen e de naproxen em misturas do propileno glicol + etanol

En la presente investigación, el Método Extendido de Solubilidad de Hildebrand (MESH), desarrollado por Martin y cols . se ha aplicado al estudio de la solubilidad del ibuprofén (IBP) y del naproxén (NAP) en mezclas binarias propilenoglicol + etanol a 298,15 K ± 0,05 K. Se han utilizado los volúmenes molares aparentes de los solutos y las fracciones volumétricas de los solvente en las respectivas soluciones saturadas. Se encontró una adecuada capacidad predictiva del MESH al utilizar modelos polinómicos regulares de cuarto orden para IBP y de tercer orden para NAP, relacionando el parámetro de interacción W con el parámetro de solubilidad de las mezclas solventes. Sin embargo, las desviaciones obtenidas en la solubilidad estimada, respecto a los valores experimentales, fueron de magnitud semejante a las obtenidas al calcular esta propiedad directamente, utilizando regresiones empíricas de la solubilidad experimental de los fármacos en función del parámetro de solubilidad de las mezclas cosolventes.

In this work the Extended Hildebrand Solubility Approach (EHSA) developed by Martin et al ., has been applied to evaluate the solubility of ibuprofen (IBP) and naproxen (NAP) in propylene glycol + ethanol cosolvent mixtures at 298.15 K ± 0.05 K. Apparent molar volumes of the solutes and the volumetric fraction of the solvents in the saturated solutions were employed. A good predictive capacity of EHSA was found using regular polynomial models of order four for IBP and of order three for NAP, when the W interaction parameter was related to the solubility parameter of the solvent mixtures. Nevertheless, the deviations obtained for the estimated solubility respect to experimental solubility were of the same order as compared with those obtained directly using empiric regressions of the experimental solubilities as a function of the cosolvent solubility parameters.

Neste trabalho a aproximação ampliada da solubilidade de Hildebrand (AASH) desenvolvida por Martin e colaboradores, foi aplicada para avaliar a solubilidade de ibuprofeno e naproxeno em misturas cosolvente do propileno glicol + etanol do 298,15 K ± 0.05 K. Os volumes molares aparentes dos solutos e a fração volumétrica dos solventes nas soluções saturadas foram empregados. Uma boa capacidade predictiva de AASH foi encontrada do usar um modelo polinomial regular em ordem quatro para IBP e em ordem três para a NAP, quando o parâmetro da interação W foi relacionado ao parâmetro da solubilidade das misturas dos solventes. Não obstante, os desvios obtidos na solubilidade estimada respeito aos valores experimentais foram na mesma ordem comparada com as aquelas obtidas diretamente usando regressões empíricas das solubilidades experimentais em função dos parâmetros da solubilidade dos cosolventes.