Solubility and thermodynamics of vanillin in Carbitol-water mixtures at different temperatures

Shakeel, Faiyaz; Haq, Nazrul; Siddiqui, Nasir A.; Alanazi, Fars K.

doi:10.1016/j.lwt.2015.07.043

Cited by 18 publications

(10 citation statements)

References 17 publications

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“…The solvation properties of PPD in binary DMSO + water systems were evaluated using an enthalpy-entropy compensation analysis [27,29]. Such analysis was performed by plotting the weighted graphs of ∆ sol H • vs. ∆ sol G • at T hm value of 308 K [29].…”

Section: Enthalpy-entropy Compensation Analysismentioning

confidence: 99%

“…The x e values of PPD were fitted using five different computational models including the van't Hoff, Apelblat, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-van't Hoff models [29][30][31][32][33].…”

Section: Computational Validationmentioning

confidence: 99%

“…The van't Hoff model solubility (x van't ) of PPD in binary DMSO + water mixtures and neat solvents was computed using the following equation [29]:…”

Section: Computational Validationmentioning

confidence: 99%

“…where A, B, and C = model parameters Equation (8) which were estimated by nonlinear multivariate regression analysis of x e values of PPD tabulated in Table 1 [29]. The logarithmic solubility of the Yalkowsky model (log x Yal ) for PPD in binary DMSO + water systems and neat solvents was computed using the following equation [32]:…”

Section: Computational Validationmentioning

confidence: 99%

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Experimental and Computational Approaches for Solubility Measurement of Pyridazinone Derivative in Binary (DMSO + Water) Systems

et al. 2019

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The current research work was performed to evaluate the solubilization behavior, solution thermodynamics, and solvation behavior of poorly soluble pyridazinone derivative i.e., 6-phenyl-pyridazin-3(2H)-one (PPD) in various binary solvent systems of dimethyl sulfoxide (DMSO) and water using experimental and various computational approaches. The solubility of PPD in various binary solvent system of DMSO and water was investigated within the temperature range T = 298.2 K to 318.2 K at constant air pressure p = 0.1 MPa, by employing an isothermal technique. The generated solubility data of PPD was computationally represented by five different cosolvency models including van’t Hoff, Apelblat, Yalkowsky–Roseman, Jouyban–Acree, and Jouyban–Acree–van’t Hoff models. The performance of each computational model for correlation studies was illustrated using root mean square deviations (RMSD). The overall RMSD value was obtained <2.0% for each computational model. The maximum solubility of PPD in mole fraction was recorded in neat DMSO (4.67 × 10−1 at T = 318.2 K), whereas the lowest one was obtained in neat water (5.82 × 10−6 at T = 298.2 K). The experimental solubility of PPD in mole fraction in neat DMSO was much higher than its ideal solubility, indicating the potential of DMSO for solubility enhancement of PPD. The computed values of activity coefficients showed maximum molecular interaction in PPD-DMSO compared with PPD-water. Thermodynamic evaluation showed an endothermic and entropy-driven dissolution of PPD in all the mixtures of DMSO and water. Additionally, enthalpy–entropy compensation evaluation indicated an enthalpy-driven mechanism as a driven mechanism for the solvation property of PPD.

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Section: Enthalpy-entropy Compensation Analysismentioning

confidence: 99%

Section: Computational Validationmentioning

confidence: 99%

“…The van't Hoff model solubility (x van't ) of PPD in binary DMSO + water mixtures and neat solvents was computed using the following equation [29]:…”

Section: Computational Validationmentioning

confidence: 99%

Section: Computational Validationmentioning

confidence: 99%

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Experimental and Computational Approaches for Solubility Measurement of Pyridazinone Derivative in Binary (DMSO + Water) Systems

et al. 2019

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“…In addition, PPN has also been reported as a permeation and bioavailability enhancer for several weakly soluble drugs as well as nutrients [1,2,[19][20][21]. The solubilization of phytomedicines/nutrients in co-solvent-water mixtures had significant role in their "isolation, extraction, purification, recrystallization, drug discovery and dosage form design" [22][23][24]. Therefore, the solubilization of PPN in co-solvent-water mixtures should be studied in order to obtain its application in pharmaceutical and food industries.…”

Section: Introductionmentioning

confidence: 99%

Solubility Data of the Bioactive Compound Piperine in (Transcutol + Water) Mixtures: Computational Modeling, Hansen Solubility Parameters and Mixing Thermodynamic Parameters

2020

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The solubility values and thermodynamic parameters of a natural phytomedicine/nutrient piperine (PPN) in Transcutol-HP (THP) + water combinations were determined. The mole fraction solubilities (xe) of PPN in THP + water combinations were recorded at T = 298.2–318.2 K and p = 0.1 MPa by the shake flask method. Hansen solubility parameters (HSPs) of PPN, pure THP, pure water and THP + water mixtures free of PPN were also computed. The xe values of PPN were correlated well with “Apelblat, Van’t Hoff, Yalkowsky–Roseman, Jouyban–Acree and Jouyban–Acree–Van’t Hoff” models with root mean square deviations of < 2.0%. The maximum and minimum xe value of PPN was found in pure THP (9.10 × 10−2 at T = 318.2 K) and pure water (1.03 × 10−5 at T = 298.2 K), respectively. In addition, HSP of PPN was observed more closed with that of pure THP. The thermodynamic parameters of PPN were obtained using the activity coefficient model. The results showed an endothermic dissolution of PPN at m = 0.6–1.0 in comparison to other THP + water combinations studied. In addition, PPN dissolution was recorded as entropy-driven at m = 0.8–1.0 compared with other THP + water mixtures evaluated.

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Development of Abraham Model Correlations for Describing Solute Transfer into Transcutol Based on Molar Solubility Ratios for Pharmaceutical and Other Organic Compounds

Varadharajan

Sinha

et al. 2022

J Solution Chem

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Solubility and thermodynamics of vanillin in Carbitol-water mixtures at different temperatures

Cited by 18 publications

References 17 publications

Experimental and Computational Approaches for Solubility Measurement of Pyridazinone Derivative in Binary (DMSO + Water) Systems

Experimental and Computational Approaches for Solubility Measurement of Pyridazinone Derivative in Binary (DMSO + Water) Systems

Solubility Data of the Bioactive Compound Piperine in (Transcutol + Water) Mixtures: Computational Modeling, Hansen Solubility Parameters and Mixing Thermodynamic Parameters

Development of Abraham Model Correlations for Describing Solute Transfer into Transcutol Based on Molar Solubility Ratios for Pharmaceutical and Other Organic Compounds

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