Evodiamine in several binary aqueous co-solvents: Solubility measurement and modeling, Hansen solubility parameter, preferential solvation and apparent dissolution and transfer properties

Zhang, Cunliang; Farajtabar, Ali; Jouyban, Abolghasem; Acree, William E.; Zhao, Hongkun

doi:10.1016/j.molliq.2021.115658

Cited by 17 publications

(8 citation statements)

References 58 publications

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“…For the purpose of carrying out the KAT-LSER study and elucidating the influence of solvent properties upon the variation in OA and UA solubility, the α, β, π*, and δ H at 298.15 K for methanol + water and acetone + water solutions across the whole methanol/acetone compositions are obtained from previous research and compiled in Table S1 of the Supporting Information section. The reasonable representation needs to be consistent with the physics and chemistry features of the solid dissolution process, which pertains to the fact that solute–solvent interactions favor the dissolution process, while solvent–solvent interactions present the opposite influence. ,,− The KAT-LSER examination of the solvent influence on the OA and UA solubility variation in methanol + water and acetone + water leads to eqs and , respectively. These equations are the best representations generated from the solubility data regression. .25ex2ex ln ⁡ x = − 4.648 false( prefix± 0.342 false) − 2.768 false( prefix± 0.147 false) true( V normals δ normalH 2 100 italicRT true) r 2 = 0.94 ; n = 22 .25ex2ex ln ⁡ x = − 4.687 false( prefix± 0.481 false) − 2.645 false( prefix± 0.206 false) true( V normals δ normalH 2 100...…”

Section: Resultsmentioning

confidence: 99%

“…Solvent Effect Inspection. For the purpose of carrying out the KAT-LSER study and elucidating the influence of solvent properties upon the variation in OA and UA solubility, the α, β, π*, and δ H at 298.15 K for methanol + water and acetone + water solutions across the whole methanol/acetone compositions are obtained from previous research 25 and compiled in Table S1 of the Supporting Information section. The reasonable representation needs to be consistent with the physics and chemistry features of the solid dissolution process, which pertains to the fact that solute−solvent interactions favor the dissolution process, while solvent−solvent interactions present the opposite influence.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…The four models utilized in a substantial number of previous research studies are related to the solubility of the solutes examined in the solution systems outlined above. They are (1) the van’t Hoff–Jouyban–Acree model , and the Jouyban–Acree model, ,,, which describe the dependence of saturated solubility (quantified on a mole fraction scale) on solvent proportion and experimentation temperature; (2) the modified Wilson model, which is a description of the solubility magnitude dependence at a certain temperature on the solvent composition; and (3) the Apelblat model, , which is a description of the solubility dependence at a fixed solvent composition on temperature. In addition, the KAT-LSER − ,, is utilized to investigate the solvent effect quantitatively, and the inverse Kirkwood–Buff integrals (IKBIs) − is applied to the OA and UA solubility to investigate the preferential solvation, wherein the densities of acetone (1) + water (2) solutions are obtainable, as shown in ref .…”

Section: Methodsmentioning

confidence: 99%

Section: Solubility Models Solvent Effect and Preferentialmentioning

confidence: 99%

“…Using binary solvent mixtures to modify the solubility of a solute is a highly flexible and potent technique. , The systematic determination of the pharmaceutical solubility in aqueous solutions is essential from both a theoretical and practical standpoint. This is due to the fact that when one has a thorough grasp of the thermodynamic solubility in aqueous solution systems, one may obtain helpful information on the solute–solvent interactions and the solvation performance of medicines by cosolvent species. − Cosolvency technology in the pharmaceutical field as a highly effective solubilization method has long been recognized. − Regardless of this, researchers have just begun to investigate the processes responsible for the decrease or increase in solid solubility during the past few years. Comprehending the solubility behavior and dissolution mechanisms of solids in cosolvents can provide a wide-ranging description of several physicochemical parameters in connection to the pharmaceutical dissolving process. , In addition, even though there are a number of prediction models that may be used to estimate the solubilities of drugs in aqueous cosolvent systems, ,, testing is still necessary for scientific study.…”

Section: Introductionmentioning

confidence: 99%

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Ursolic Acid and Oleanolic Acid Dissolved in Methanol/Acetone + Water Blends: Thermodynamic Solubility, Intermolecular Interactions, and Solvation Behavior

Wang

Liu

et al. 2022

J. Chem. Eng. Data

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With the purpose of qualitative characterization of the electrostatic properties of the acidity and basicity of ursolic acid (UA) and oleanolic acid (OA), quantitative analyses of the molecular surface were employed in this contribution. The −OH and −COOH groups on the molecules of OA and UA took precedence over establishing hydrogen bonds with the solvents acetone/methanol/water. In addition, the intermolecular interactions of OA and UA with acetone/methanol/water were investigated using an independent gradient model based on the Hirshfeld partition of molecular density. In solutions of OA/UA dissolved in methanol/acetone/water, attractive interactions, including the hydrogen-bond force and van der Waals (vdW) force, occur. The shake-flask technique was applied to evaluate the equilibrium solubility of UA and OA in acetone + water and methanol + water at 101.2 kPa and elevated temperatures covering from 278.15 to 323.15 K. Solvent−solvent interactions accounted by the solubility parameter of solutions had a significant domination in the variability of solubility magnitudes. The van't Hoff−Jouyban−Acree, Apelblat, and Jouyban−Acree models revealed a good correlation for the measured solubility, with a relative mean deviation of no more than 7.73%. The Kirkwood−Buff integral approach was utilized to determine the preferred solvation of UA and OA by solvent species. In both the rich-and intermediate-composition regions of methanol/acetone, UA or OA is preferentially solvated with positive preferential solvation parameters by methanol/acetone.

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