核糖环尼在不同{peg400 +水}组合中的温度依赖性溶解和热力学特性

IF 4.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Faiyaz Shakeel, Ramadan Al-Shdefat, Mohammad Ali, Usama Ahmad
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引用次数: 0

摘要

在293.2-313.2 K和常压下,在{聚乙二醇400 (PEG 400) +水}组合范围内评估了新型抗癌药物核糖环苷(RCB)的溶解度和热力学特性。采用饱和摇瓶法测定RCB溶解度,并采用“van 't Hoff、Apelblat、Buchowski-Ksiazczak λh、Yalkowsky-Roseman、Jouyban-Acree和Jouyban-Acree-van 't Hoff模型”验证实测实验数据。在整个验证过程中,计算预测的不确定性小于3.0%,表明与实验RCB溶解度数据有很好的关系。PEG 400质量分数和温度均提高了RCB在{PEG 400 +水}组分中摩尔分数的溶解度。在313.2 K时,纯PEG 400的RCB溶解度最高(1.04 × 10−1),在293.2 K时,纯水的RCB溶解度最低(1.07 × 10−6)。所有的{PEG 400 +水}混合物都表现出“吸热和熵驱动”的RCB溶解,热力学参数的估计值为正值。与RCB-water相比,rcb - peg400表现出最强的分子相互作用。根据评估结果,peg400在水中具有很大的RCB增溶潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Temperature-dependent solubilization and thermodynamic characteristics of ribociclib in varied {PEG 400 + water} combinations

The solubility and thermodynamic characteristics of ribociclib (RCB), a new anticancer medication, have been assessed in a range of {polyethylene glycol 400 (PEG 400) + water} combinations at 293.2–313.2 K and atmospheric pressure. RCB solubility was determined utilizing the saturation shake flask approach, and “van’t Hoff, Apelblat, Buchowski-Ksiazczak λh, Yalkowsky-Roseman, Jouyban-Acree, and Jouyban-Acree-van’t Hoff models” were utilized to validate the measured experimental data. The uncertainties for the computational predictions were less than 3.0% throughout the validation, indicating an outstanding relationship with the experimental RCB solubility data. PEG 400 mass fraction and temperature both improved the solubility of RCB in mole fraction in the compositions of {PEG 400 + water}. It was discovered that the RCB solubility in mole fraction was greatest in pure PEG 400 (1.04 × 10− 1) at 313.2 K and lowest in neat water (1.07 × 10− 6 at 293.2 K). All of the {PEG 400 + water} mixes under study showed “endothermic and entropy-driven” RCB dissolution, as indicated by the positive values of the estimated thermodynamic parameters. Compared to RCB-water, RCB-PEG 400 exhibited the strongest molecular interactions. PEG 400 offers a great potential for RCB solubilization in water, according to the evaluation’s findings.

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来源期刊
BMC Chemistry
BMC Chemistry Chemistry-General Chemistry
CiteScore
5.30
自引率
2.20%
发文量
92
审稿时长
27 weeks
期刊介绍: BMC Chemistry, formerly known as Chemistry Central Journal, is now part of the BMC series journals family. Chemistry Central Journal has served the chemistry community as a trusted open access resource for more than 10 years – and we are delighted to announce the next step on its journey. In January 2019 the journal has been renamed BMC Chemistry and now strengthens the BMC series footprint in the physical sciences by publishing quality articles and by pushing the boundaries of open chemistry.
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