Solubility and thermodynamic analysis of aceclofenac in different {Carbitol + water} mixtures at various temperatures

IF 4.3 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

BMC Chemistry Pub Date : 2024-09-12 DOI:10.1186/s13065-024-01287-z

Faiyaz Shakeel, Ramadan Al-Shdefat, Mohammad A. Altamimi, Usama Ahmad

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Abstract

The solubility and thermodynamic properties of the anti-inflammatory drug aceclofenace (ACF) have been assessed in a range of {2-(2-ethoxyethoxy)ethanol (Carbitol) + water} combinations at temperatures ranging from 298.2 K to 318.2 K and atmospheric pressure of 101.1 kPa. The shake flask method was employed to determine the solubility of ACF, and various models including “van’t Hoff, Apelblat, Buchowski-Ksiazczak λh, Yalkowsky-Roseman, Jouyban-Acree, and Jouyban-Acree-van’t Hoff models” were used to validate the results. The computational models demonstrated a strong correlation with the experimental ACF solubility data, as indicated by the error values of < 3.0%. In the compositions of {Carbitol + water}, the ACF mole fraction solubility was enhanced by temperature and Carbitol mass fraction. The solubility of ACF in mole fraction was found to be lowest in pure water (1.07 × 10^− 6 at 298.2 K), and highest in pure Carbitol (1.04 × 10^− 1 at 318.2 K). Based on the positive values of the calculated thermodynamic parameters, the dissolution of ACF was determined to be “endothermic and entropy-driven” in all of the {Carbitol + water} solutions that were studied. It was also observed that enthalpy controls the solvation of ACF in solutions containing {Carbitol + water}. ACF-Carbitol had the strongest molecular interactions in contrast to ACF-water. Based on the results of this study, Carbitol holds significant potential for enhancing the solubility of ACF in water.

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不同温度下醋氯芬酸在不同{卡必醇+水}混合物中的溶解度和热力学分析

在 298.2 K 至 318.2 K 的温度和 101.1 kPa 的大气压力下，对消炎药醋氯芬ace（ACF）在一系列{2-（2-乙氧基乙氧基）乙醇（卡比妥）+水}组合中的溶解度和热力学性质进行了评估。采用振荡烧瓶法测定了 ACF 的溶解度，并使用 "van't Hoff、Apelblat、Buchowski-Ksiazczak λh、Yalkowsky-Roseman、Jouyban-Acree 和 Jouyban-Acree-van't Hoff 模型 "等多种模型对结果进行了验证。计算模型与 ACF 溶解度实验数据具有很强的相关性，误差值为 3.0%。在{卡必醇+水}成分中，ACF 分子分数溶解度随温度和卡必醇质量分数的变化而增强。在纯水中，ACF 的摩尔分数溶解度最低（298.2 K 时为 1.07 × 10- 6），而在纯卡比妥中最高（318.2 K 时为 1.04 × 10- 1）。根据计算得出的热力学参数的正值，可以确定在研究的所有{卡必醇+水}溶液中，ACF 的溶解都是 "内热和熵驱动 "的。研究还发现，焓控制着 ACF 在含有{卡比醇 + 水}的溶液中的溶解。与 ACF-水相比，ACF-卡必醇的分子相互作用最强。根据这项研究的结果，卡必醇在提高 ACF 在水中的溶解度方面具有很大的潜力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

BMC Chemistry Chemistry-General Chemistry

CiteScore

5.30

自引率

2.20%

发文量

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.