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不同温度下醋氯芬酸在不同{卡必醇+水}混合物中的溶解度及热力学分析

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

作者信息

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

机构信息

Department of Pharmaceutics, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia.

Department of Pharmaceutical Sciences, Faculty of Pharmacy, Jadara University, P.O. Box 733, Irbid, 21110, Jordan.

出版信息

BMC Chem. 2024 Sep 12;18(1):168. doi: 10.1186/s13065-024-01287-z.

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 at 298.2 K), and highest in pure Carbitol (1.04 × 10 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.

摘要

在298.2 K至318.2 K的温度范围以及101.1 kPa的大气压下,对消炎药物醋氯芬酸(ACF)在一系列{2-(2-乙氧基乙氧基)乙醇(卡必醇)+水}组合中的溶解度和热力学性质进行了评估。采用摇瓶法测定ACF的溶解度,并使用包括“范特霍夫、阿佩尔布拉特、布霍夫斯基-西亚扎克λh、亚尔科夫斯基-罗斯曼、乔伊班-阿克里和乔伊班-阿克里-范特霍夫模型”在内的各种模型来验证结果。计算模型与实验得到的ACF溶解度数据显示出很强的相关性,误差值<3.0%表明了这一点。在{卡必醇+水}的组合物中,ACF的摩尔分数溶解度随温度和卡必醇质量分数的增加而提高。发现ACF在摩尔分数下的溶解度在纯水中最低(298.2 K时为1.07×10),在纯卡必醇中最高(318.2 K时为1.04×10)。基于计算得到的热力学参数的正值,确定在所有研究的{卡必醇+水}溶液中,ACF的溶解是“吸热且由熵驱动的”。还观察到,焓控制着ACF在含有{卡必醇+水}的溶液中的溶剂化作用。与ACF-水相比,ACF-卡必醇具有最强的分子相互作用。基于本研究的结果,卡必醇在提高ACF在水中的溶解度方面具有巨大潜力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7202/11397009/5d6bbdca3a62/13065_2024_1287_Fig1_HTML.jpg

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