Shakeel Faiyaz, Haq Nazrul, Alshehri Sultan, Alenazi Miteb, Alwhaibi Abdulrahman, Alsarra Ibrahim A
Department of Pharmaceutics, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
Department of Clinical Pharmacy, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
Molecules. 2023 Oct 16;28(20):7110. doi: 10.3390/molecules28207110.
The solubility and solution thermodynamics of isotretinoin (ITN) (3) in numerous {dimethyl sulfoxide (DMSO) (1) + water (HO) (2)} combinations were studied at 298.2-318.2 K under fixed atmospheric pressure of 101.1 kPa. A shake flask methodology was used to determine ITN solubility, and correlations were made using the "van't Hoff, Apelblat, Buchowski-Ksiazczak , Yalkowsky-Roseman, Jouyban-Acree, and Jouyban-Acree-van't Hoff models". In mixtures of {(DMSO (1) + HO (2)}, the solubility of ITN in mole fractions was enhanced with the temperature and DMSO mass fraction. The mole fraction solubility of ITN was highest in neat DMSO (1.02 × 10 at 318.2 K) and lowest in pure HO (3.14 × 10 at 298.2 K). The output of computational models revealed good relationships between the solubility data from the experiments. The dissolution of ITN was "endothermic and entropy-driven" in all of the {(DMSO (1) + HO (2)} mixtures examined, according to the positive values of measured thermodynamic parameters. Enthalpy was discovered to be the driving force behind ITN solvation in {(DMSO (1) + HO (2)} combinations. ITN-DMSO displayed the highest molecular interactions when compared to ITN-HO. The outcomes of this study suggest that DMSO has a great potential for solubilizing ITN in HO.
在101.1 kPa的固定大气压下,于298.2 - 318.2 K研究了异维A酸(ITN)(3)在多种{二甲基亚砜(DMSO)(1)+水(HO)(2)}组合中的溶解度和溶液热力学。采用摇瓶法测定ITN的溶解度,并使用“范特霍夫、阿佩尔布拉特、布霍夫斯基 - 西亚扎克、亚尔科夫斯基 - 罗斯曼、朱伊班 - 阿克里以及朱伊班 - 阿克里 - 范特霍夫模型”进行关联。在{(DMSO(1)+ HO(2)}混合物中,ITN的摩尔分数溶解度随温度和DMSO质量分数的增加而提高。ITN的摩尔分数溶解度在纯DMSO中最高(318.2 K时为1.02×10),在纯水HO中最低(298.2 K时为3.14×10)。计算模型的输出结果表明实验得到的溶解度数据之间存在良好的关系。根据测得的热力学参数的正值,在所研究的所有{(DMSO(1)+ HO(2)}混合物中,ITN的溶解是“吸热且由熵驱动”的。发现焓是ITN在{(DMSO(1)+ HO(2)}组合中溶剂化的驱动力。与ITN - HO相比,ITN - DMSO表现出最高的分子间相互作用。本研究结果表明,DMSO在HO中增溶ITN具有很大潜力。