Solubility and Thermodynamic Data of Febuxostat in Various Mono Solvents at Different Temperatures.

This study examines the solubility and thermodynamics of febuxostat (FBX) in a variety of mono solvents, including "water, methanol (MeOH), ethanol (EtOH), isopropanol (IPA), 1-butanol (1-BuOH), 2-butanol (2-BuOH), ethylene glycol (EG), propylene glycol (PG), polyethylene glycol-400 (PEG-400), ethyl acetate (EA), Transcutol-HP (THP), and dimethyl sulfoxide (DMSO)" at 298.2−318.2 K and 101.1 kPa. The solubility of FBX was determined using a shake flask method and correlated with "van't Hoff, Buchowski-Ksiazczak λh, and Apelblat models". The overall error values for van't Hoff, Buchowski-Ksiazczak λh, and Apelblat models was recorded to be 1.60, 2.86, and 1.14%, respectively. The maximum mole fraction solubility of FBX was 3.06 × 10−2 in PEG-400 at 318.2 K, however the least one was 1.97 × 10−7 in water at 298.2 K. The FBX solubility increased with temperature and the order followed in different mono solvents was PEG-400 (3.06 × 10−2) > THP (1.70 × 10−2) > 2-BuOH (1.38 × 10−2) > 1-BuOH (1.37 × 10−2) > IPA (1.10 × 10−2) > EtOH (8.37 × 10−3) > EA (8.31 × 10−3) > DMSO (7.35 × 10−3) > MeOH (3.26 × 10−3) > PG (1.88 × 10−3) > EG (1.31 × 10−3) > water (1.14 × 10−6) at 318.2 K. Compared to the other combinations of FBX and mono solvents, FBX-PEG-400 had the strongest solute-solvent interactions. The apparent thermodynamic analysis revealed that FBX dissolution was "endothermic and entropy-driven" in all mono solvents investigated. Based on these findings, PEG-400 appears to be the optimal co-solvent for FBX solubility.

Solubilization of a novel antitumor drug ribociclib in water and ten different organic solvents at different temperatures.

OBJECTIVE: This study reports new solubility and physicochemical data for ribociclib (RCB) in water and ten organic solvents including "methanol (MeOH), ethanol (EtOH), isopropyl alcohol (IPA), n-butanol (n-BuOH), propylene glycol (PG), polyethylene glycol-400 (PEG-400), acetone, ethyl acetate (EA), Transcutol-HP (THP), and dimethyl sulfoxide (DMSO)" at 293.2-313.2 K and 101.1 kPa. SIGNIFICANCE: The obtained data are useful for the industrial applications of RCB. METHODS: The solubility of RCB was measured and regressed using "van't Hoff, Buchowski-Ksiazczak λh, the modified Apelblat, and Jouyban models." RESULTS: The overall deviations of <4.0% were recorded for all four models. The maximum mole fraction solubility of RCB was 2.66 × 10-2 in PEG-400 at 313.2 K, however, the lowest one was in the water. The RCB solubility increased with temperature and the order followed in the water and ten different organic solvents was PEG-400 (2.66 × 10-2) > THP (1.00 × 10-2) > PG (5.39 × 10-3) > DMSO (5.00 × 10-3) > n-BuOH (3.23 × 10-3) > acetone (3.11 × 10-3) > IPA (1.58 × 10-3) > EA (1.41 × 10-3) > EtOH (1.37 × 10-3) > MeOH (8.10 × 10-4) > water (2.38 × 10-5) at 313.2 K. The maximum solute-solvent interactions were found in RCB-PEG-400 in comparison with other combination of RCB and solvents. "Apparent thermodynamic analysis" indicated an "endothermic and entropy-driven dissolution" of RCB in water and ten organic solvents. CONCLUSIONS: Based on all these data and observations, PEG-400 can be used as the best co-solvent for RCB solubilization.

Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) Compositions.

This article studies the solubility, Hansen solubility parameters (HSPs), and thermodynamic behavior of a naturally-derived bioactive thymoquinone (TQ) in different binary combinations of isopropanol (IPA) and water (H2O). The mole fraction solubilities (x3) of TQ in various (IPA + H2O) compositions are measured at 298.2-318.2 K and 0.1 MPa. The HSPs of TQ, neat IPA, neat H2O, and binary (IPA + H2O) compositions free of TQ are also determined. The x3 data of TQ are regressed by van't Hoff, Apelblat, Yalkowsky-Roseman, Buchowski-Ksiazczak λh, Jouyban-Acree, and Jouyban-Acree-van't Hoff models. The maximum and minimum x3 values of TQ are recorded in neat IPA (7.63 × 10-2 at 318.2 K) and neat H2O (8.25 × 10-5 at 298.2 K), respectively. The solubility of TQ is recorded as increasing with the rise in temperature and IPA mass fraction in all (IPA + H2O) mixtures, including pure IPA and pure H2O. The HSP of TQ is similar to that of pure IPA, suggesting the great potential of IPA in TQ solubilization. The maximum molecular solute-solvent interactions are found in TQ-IPA compared to TQ-H2O. A thermodynamic study indicates an endothermic and entropy-driven dissolution of TQ in all (IPA + H2O) mixtures, including pure IPA and pure H2O.

Solubility measurement, Hansen solubility parameters and solution thermodynamics of gemfibrozil in different pharmaceutically used solvents.

Gemfibrozil (GEM) is cholesterol-lowering agent which is being proposed as poorly water soluble drug (PWSD). Temperature based solubility values of GEM are not yet available in literature or any pharmacopoeia/monograph. Hence, the present studies were carried out to determine the solubility of PWSD GEM (as mole fraction) in various pharmaceutically used solvents such as water (H2O), methanol (MeOH), ethanol (EtOH), isopropanol (IPA), 1-butanol (1-BuOH), 2-butanol (2-BuOH), ethylene glycol (EG), propylene glycol (PG), polyethylene glycol-400 (PEG-400), ethyl acetate (EA), dimethyl sulfoxide (DMSO) and Transcutol® (THP) at the temperatures ranging from T = 298.2 K-318.2 K under atmospheric pressure P = 0.1 MPa. Equilibrium/experimental solubilities of GEM were recorded by applying a saturation shake flask methodology and regressed using 'van't Hoff and Apelblat models'. Hansen solubility parameters for GEM and various pharmaceutically used solvents were estimated using HSPiP software. The solid states of GEM (both in pure and equilibrated states) were studied by 'Differential Scanning Calorimetry' which confirmed no transformation of GEM after equilibrium. Experimental solubilities of GEM in mole fraction were observed maximum in THP (1.81 × 10-1) followed by DMSO, PEG-400, EA, 1-BuOH, 2-BuOH, IPA, EtOH, PG, MeOH, EG and H2O (3.24 × 10-6) at T = 318.2 K and similar tendencies were also recorded at T = 298.2 K, T = 303.2 K, T = 308.2 K and T = 313.2 K. 'Apparent thermodynamic analysis' on experimental solubilities furnished 'endothermic and entropy-driven dissolution' of GEM in each pharmaceutically used solvent.

Study of the antibacterial activity in the gas phase of a chemical formulation for household waste management.

UNLABELLED: The aim of this study was to formulate a product (microbicide mixture) that could slow down the bacterial proliferation during the storage of household waste. We used harmless and natural components, known for their antimicrobial properties, in the liquid phase at direct contact with the microbes. The antimicrobial activity of the microbicide mixture formulated was evaluated over a range of concentration in two types of tests, in the liquid and in the gas phase. Once the efficacy of antimicrobial agent in the liquid phase in direct contact with the microbe (Escherichia coli) was confirmed, we adopted a new approach to evaluate the effect of the vapour phase both on the microbes' growth and on its duration. Here, we show that the perfect combination that gives rise to an antimicrobial mixture useful to control microbial growth (Staphylococcus aureus, Escherichia coli, Debaryomyces hansenii or Penicillium citrinum) up to 4 weeks is the one between more volatile agents (2-propanol and limonene) and a less volatile agent (cinnamaldehyde). The pleasant smell as well as the synergic antibacterial and antifungal function of the natural components of this mixture makes it attractive in domestic waste management. SIGNIFICANCE AND IMPACT OF THE STUDY: The novelty of this work is two-fold: on the one hand, to test various antimicrobial components of different volatility in a single microbicide mixture, and on the other, to study antimicrobial activity in the gas phase, other than the liquid phase. While previous authors tested the components individually as antimicrobial agents in the liquid phase at direct contact with the microbes, we tested them altogether as a mixture both in the liquid and in gas phase. The aim of this study was to disinfect small environments, such as garbage containers, by favouring the diffusion of the vapour phase to avoid the growth of microbes. This study proposes a new approach in the management and storage of household waste by inhibiting bacterial proliferation in the garbage can.