Determination of Regorafenib monohydrate (colorectal anticancer drug) solubility in supercritical CO2: Experimental and thermodynamic modeling.

In this study, the solubilities of Regorafenib monohydrate (REG), a widely used as a colorectal anticancer drug, in supercritical carbon dioxide (ScCO2) were measured under various pressures and temperature conditions, for the first time. The minimum value of REG in mole fraction was determined to be 3.06×10-7, while the maximum value was found to be 6.44×10-6 at 338 K and 27 MPa. The experimental data for REG were correlated through the utilization of two types of models: (1) a set of 25 existing empirical and semi-empirical models that incorporated 3-8 parameters according to functional dependencies, (2) a model that relied on solid-liquid equilibrium (SLE) and the newly improved association models. All of the evaluated models were capable of generating suitable fits to the solubility data of REG, however, the average absolute relative deviation (AARD) of Gordillo et al. model (AARD=13.2%) and Reddy et al. model (AARD=13.5%) indicated their superiority based on AARD%. Furthermore, solvation and sublimation enthalpies of REG drug were estimated for the first time.

Solubility measurement of verapamil for the preparation of developed nanomedicines using supercritical fluid.

A static method is employed to determine the solubilities of verapamil in supercritical carbon dioxide (SC-CO2) at temperatures between 308 and 338 K and pressures between 12 and 30 MPa. The solubility of verapamil in SC-CO2 expressed as mole fraction are in the range of 3.6 × 10-6 to 7.14 × 10-5. Using four semi-empirical density-based models, the solubility data are correlated: Chrastil, Bartle, Kumar-Johnston (K-J), and Mendez-Santiago and Teja (MST), two equations of state (SRK and PC-SAFT EoS), expanded liquid models (modified Wilson's models), and regular solution model. The obtained results indicated that the regular solution and PC-SAFT models showed the most noteworthy exactness with AARD% of 1.68 and 7.45, respectively. The total heat, vaporization heat, and solvation heat of verapamil are calculated at 39.62, 60.03, and - 20.41 kJ/mol, respectively. Regarding the poor solubility of verapamil in SC-CO2, supercritical anti-solvent methods can be an appropriate choice to produce fine particles of this drug.

Statistical analysis of adsorption isotherm models and its appropriate selection.

In adsorption research, there was a good amount of adsorption data on various absorbent-adsorbate systems and many isotherm models were studied but there was no study on applicability of models to a group of adsorbent-adsorbate systems. In order to establish this, adsorption data obtained from literature for activated carbon with different solutes/sorbate(s) were considered and modelled with various adsorption models. The molecular mass of the solutes varies from 78.118(Benzene) to 932(Direct blue 2B dye) g.mol-1 and adsorbent surface area varies from 516 to 1100 m2 g-1. In this work, twelve commonly known isotherms models were employed to correlate the adsorption data. For modelling polymath® software has been used. The input data for the polymath® software were amount of adsorbate per unit amount of adsorbent, qe vs. concentration, ce. Nonlinear optimization of isotherm data gives model parameters. The correlating ability of the various models was compared in terms of arithmetic average relative deviation (AARD) calculated based on qe. The lowest overall AARD% values were observed for Baudu Isotherm and Langmuir-Freundlich and the corresponding AARD% values were 2.6 and 2.8 respectively. The highest overall AARD% value was observed for Marczewski-jaroniec isotherm and the corresponding AARD% is 23.5. Corrected Akaike's information criterion (AICcorrected) was employed to known the best model. We observed lowest AICcorrected(15.859) value for Langmuir-Freundlich isotherm and the highest AICcorrected(59.283) value for Marczewski-jaroniec isotherm. AICcorrected reveals that Langmuir-Freundlich isotherm was efficient in correlating the isotherm data. Further, Pair-t test was performed between Baudu isotherm and other model.

Solubility of Anthraquinone Derivatives in Supercritical Carbon Dioxide: New Correlations.

Solubility of several anthraquinone derivatives in supercritical carbon dioxide was readily available in the literature, but correcting ability of the existing models was poor. Therefore, in this work, two new models have been developed for better correlation based on solid-liquid phase equilibria. The new model has five adjustable parameters correlating the solubility isotherms as a function of temperature. The accuracy of the proposed models was evaluated by correlating 25 binary systems. The proposed models observed provide the best overall correlations. The overall deviation between the experimental and the correlated results was less than 11.46% in averaged absolute relative deviation (AARD). Moreover, exiting solubility models were also evaluated for all the compounds for the comparison purpose.

Adsorption Characteristics of Activated Carbon for the Reclamation of Eosin Y and Indigo Carmine Colored Effluents and New Isotherm Model.

The adsorption response of eosin Y and indigo carmine acid dyes on activated carbon as a function of system temperature for a fixed concentration was investigated at various temperatures via adsorption isotherms and their thermodynamic quantities such as enthalpy, entropy, and Gibbs free energy changes. The adsorption data were exploited to develop a new adsorption isotherm. The new isotherm was developed with the spirit of solid-liquid phase equilibrium and regular solution theory. The proposed model has four adjustable constants and correlates adsorption isotherm in terms of the system temperature and melting temperature of the dye. The effect of pH on the removal of acid dyes was reported. The pH variation was observed to affect the adsorption efficiency. The removal of eosin Y and indigo carmine decreased from 99.4% to 82.6% and 92.38% to 79.48%, respectively, when the pH of the solution varied from 2 to 12. The thermodynamic analysis of the process reveals that the process of the removal of acid dyes is exothermic and spontaneous. Moreover, the kinetics parameters of the batch process are reported.