Solubility of Nifedipine in Ethanol + Water and Propylene Glycol + Water Mixtures at 293.2 to 313.2 K

The solubility of nifedipine (NIF) in binary mixtures of ethanol (EtOH) + water and propylene glycol (PG) + water at 293.2, 298.2, 303.2, 308.2, and 313.2 K was measured. The Jouyban–Acree model and its combination with van’t Hoff equation was used to predict the solubility of NIF in the mixed solvents at different temperatures. The solubility of NIF in EtOH + water mixtures have a maximum at 0.90 mass fraction of EtOH, but the solubility of NIF in PG + water reaches to the maximum value in neat PG. Both mixtures (EtOH + water and PG + water) have a maximum solubility at 313.2 K. A mean relative deviation (MRD) for the fitted data to the Jouyban–Acree model of 8.1% and for combined method of 7.4% was obtained. The predicted MRDs for the solubility data using previously trained models were 38.8%, 43.0%, and 43.9%, and the MRD for predicted density value was 7.3%

Solubility of Etoricoxib in Aqueous Solutions of Glycerin, Methanol, Polyethylene Glycols 200, 400, 600, and Propylene Glycol at 298.2 K

Experimental molar solubility of etoricoxib (ETR) in monosolvents such as glycerin, methanol (MeOH), polyethylene glycol 200 (PEG 200), polyethylene glycol 400 (PEG 400), polyethylene glycol 600 (PEG 600), propylene glycol (PG), and their aqueous binary solvent systems in various mass fraction compositions along with the solute-free and saturated solution densities were measured at 298.2 K. The resulting mole fraction solubility and density data were further correlated and predicted with the Jouyban–Acree model. Overall mean percentage deviations (OMPDs) between experimental and calculated mole fraction solubilities were 3.5%. The solute-free density of the monosolvents and their aqueous binary solvent systems were employed to train the model and then the densities of the saturated solutions were predicted. Moreover, OMPDs for back calculated solute-free densities and predicted saturated solution densities were 0.07% and 0.40%, respectively. Thus, the Jouyban–Acree model have potential use in preformulation and formulation studies during which solubility and density calculations are important physicochemical properties for design and development of new drug products in pharmaceutical industries. The simulated data could also be employed in crystallization and other related process design in the pharmaceutical/chemical industry

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

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 (Δ<i>H</i>°), entropy (Δ<i>S</i>°), and Gibbs energy (Δ<i>G</i>°) 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 Δ<i>H</i>° vs Δ<i>G</i>° and Δ<i>H</i>° vs <i>T</i>ΔS° which explains the mechanism of cosolvency at different temperatures was discussed

Composition and Temperature Dependence of Density, Surface Tension, and Viscosity of EMIM DEP/MMIM DMP + Water + 1‑Propanol/2-Propanol Ternary Mixtures and Their Mathematical Representation Using the Jouyban–Acree Model

Room temperature ionic liquids (RTILs) have been ascribed as alternative solvents in separation processes or chemical reactions. This research is concerned with the study of density, ρ, viscosity, η, and surface tension, σ, over the mole fractions of (0.1000 to 1.000) mol and temperature from (293.15 to 333.15) K for ternary mixtures of 1-ethyl-3-methylimidazolium diethylphosphate (EMIM DEP)/1,3-dimethylimidazolium dimethylphosphate (MMIM DMP), water, and 1-propanol/2-propanol. As the temperature increased, surface tension and density results for all the multicomponent mixtures show a linear descending trend. Adversely, viscosity results indicate polynomial descending trend. At the whole ranges of temperature, the density, surface tension and viscosity data show a significant gap between mole fractions of ionic liquid. These experimental results have been evaluated and the most prominent polynomial or linear regressions were obtained. The most prominent correlation for density and surface tension for all four systems were obtained using a linear equation. In contrast, the best correlation for viscosity data was obtained using a second order polynomial equation. On the other view, the experimental density and surface tension data decrease linearly with mole fraction of ionic liquid. The Jouyban–Acree model was used to correlate the density, surface tension, and viscosity of the studied mixtures at different temperatures. The accuracy of the model was evaluated and the absolute percentage error (APER) for each correlation was less than 6%

Au Nanostars Coated with a Thin Film of MIL-100 (Fe) for SERS-Based Sensing of Volatile Organic Compound Indicators in Saliva

Mortality of gastric cancer is the second in cancer-associated deaths due to the lack of specific symptoms at an early stage, and thus, early detection of gastric cancer is receiving more attention. Nowadays, volatile organic compound (VOC) indicators have been found to be helpful for screening a variety of cancers. Meanwhile, hybrid VOC indicators, namely, VOCs derived from both human breath and body fluids, provide more information about health status. Nevertheless, details of VOCs in body fluid (e.g. saliva) are still unclear and tracking of these VOCs remains a challenge. In this research, 10 kinds of VOCs released from the saliva were reported to be potential indicators for gastric cancer prewarning. To track these potential indicators with high specificity, a surface-enhanced Raman scattering (SERS) sensor based on a thin layer of MIL-100 (Fe) shell-wrapped Au nanostars (Au-star) was developed, and part of the aforementioned VOC indicators (e.g., 2-butanone, eucalyptol, and isopropanol) were found to be selectively detected by the sensor. These pilot results indicate a bright future for the proposed strategy for disease screening and the design of future high-performance SERS sensors