- 原儿茶素在某些单溶剂和不同丙二醇+水混合物中的增溶作用。

Solubilization of -Resveratrol in Some Mono-Solvents and Various Propylene Glycol + Water Mixtures.

机构信息

Department of Pharmaceutics, College of Pharmacy, King Khalid University, Abha 61441, Saudi Arabia.

Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia.

出版信息

Molecules. 2021 May 21;26(11):3091. doi: 10.3390/molecules26113091.

This research deals with the determination of solubility, Hansen solubility parameters, dissolution properties, enthalpy-entropy compensation, and computational modeling of a naturally-derived bioactive compound -resveratrol (TRV) in water, methanol, ethanol, n-propanol, n-butanol, propylene glycol (PG), and various PG + water mixtures. The solubility of TRV in six different mono-solvents and various PG + water mixtures was determined at 298.2-318.2 K and 0.1 MPa. The measured experimental solubility values of TRV were regressed using six different computational/theoretical models, including van't Hoff, Apelblat, Buchowski-Ksiazczak λh, Yalkowsly-Roseman, Jouyban-Acree, and van't Hoff-Jouyban-Acree models, with average uncertainties of less than 3.0%. The maxima of TRV solubility in mole fraction was obtained in neat PG (2.62 × 10) at 318.2 K. However, the minima of TRV solubility in the mole fraction was recorded in neat water (3.12 × 10) at 298.2 K. Thermodynamic calculation of TRV dissolution properties suggested an endothermic and entropy-driven dissolution of TRV in all studied mono-solvents and various PG + water mixtures. Solvation behavior evaluation indicated an enthalpy-driven mechanism as the main mechanism for TRV solvation. Based on these data and observations, PG has been chosen as the best mono-solvent for TRV solubilization.

本研究致力于测定一种天然生物活性化合物——白藜芦醇（TRV）在水中、甲醇、乙醇、正丙醇、正丁醇、丙二醇（PG）和不同 PG+水混合物中的溶解度、Hansen 溶解度参数、溶解性能、焓熵补偿以及计算建模。在 298.2-318.2 K 和 0.1 MPa 下测定了 TRV 在六种不同单溶剂和各种 PG+水混合物中的溶解度。使用 van't Hoff、Apelblat、Buchowski-Ksiazczak λh、Yalkowsly-Roseman、Jouyban-Acree 和 van't Hoff-Jouyban-Acree 六种不同计算/理论模型对 TRV 的实测实验溶解度值进行了回归，平均不确定度小于 3.0%。在 318.2 K 时，TRV 在纯 PG（2.62×10）中的摩尔分数溶解度达到最大值。然而，在 298.2 K 时，TRV 在纯水中的摩尔分数溶解度达到最小值（3.12×10）。TRV 溶解性能的热力学计算表明，在所有研究的单溶剂和各种 PG+水混合物中，TRV 的溶解是吸热和熵驱动的。溶剂化行为评估表明，焓驱动机制是 TRV 溶剂化的主要机制。基于这些数据和观察结果，PG 已被选为 TRV 增溶的最佳单溶剂。