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磺胺二甲嘧啶在乙腈 - 乙醇混合共溶剂中的溶解度:热力学分析与数学建模

Solubility of Sulfamethazine in Acetonitrile-Ethanol Cosolvent Mixtures: Thermodynamic Analysis and Mathematical Modeling.

作者信息

Caviedes-Rubio Diego Ivan, Buendía-Atencio Cristian, Cardenas-Torres Rossember Edén, Ortiz Claudia Patricia, Martinez Fleming, Delgado Daniel Ricardo

机构信息

Programa de Ingeniería Agroalimentaria, Grupo de Investigación de Ingenierías UCC-Neiva, Facultad de Ingeniería, Universidad Cooperativa de Colombia, Sede Neiva, Calle 11 No. 1-51, Neiva 410001, Colombia.

Facultad de Ciencias, Departamento de Química, Universidad Antonio Nariño, Bogotá 110231, Colombia.

出版信息

Molecules. 2025 Sep 2;30(17):3590. doi: 10.3390/molecules30173590.

Abstract

The low water solubility of sulfamethazine (SMT) limits its clinical efficacy, making it crucial to study techniques such as cosolvency to optimize pharmaceutical formulations. This study aimed to thermodynamically evaluate the solubility of SMT in {acetonitrile (MeCN) + ethanol (EtOH)} cosolvent mixtures over a temperature range of 278.15 to 318.15 K in order to understand the molecular interactions that govern this process. SMT solubility in the mixtures was measured using a flask-shaking method. The solid phases were analyzed using differential scanning calorimetry (DSC) to rule out polymorphisms. Using the Gibbs-van't Hoff-Krug model, we calculated the apparent thermodynamic functions of the solution and mixture from the obtained data. The results showed that solubility increased almost linearly with MeCN fraction and temperature, indicating that MeCN is a more efficient solvent and that the process is endothermic. Thermodynamic analysis revealed that dissolution is an endothermic process with favorable entropy for all compositions. The higher solubility in MeCN is attributed to the lower energetic cost required to form the solute cavity compared to the high energy needed to disrupt the hydrogen bond network of ethanol. This behavior can be explained by an enthalpy-entropy compensation phenomenon. This phenomenon provides an essential physicochemical basis for designing pharmaceutical processes.

摘要

磺胺二甲嘧啶(SMT)的低水溶性限制了其临床疗效,因此研究诸如助溶等技术以优化药物制剂至关重要。本研究旨在对278.15至318.15 K温度范围内SMT在{乙腈(MeCN)+乙醇(EtOH)}混合助溶剂中的溶解度进行热力学评估,以了解控制该过程的分子相互作用。采用摇瓶法测定SMT在混合物中的溶解度。使用差示扫描量热法(DSC)分析固相以排除多晶型现象。利用吉布斯 - 范特霍夫 - 克鲁格模型,根据所得数据计算溶液和混合物的表观热力学函数。结果表明,溶解度几乎随MeCN含量和温度呈线性增加,表明MeCN是一种更有效的溶剂,且该过程是吸热的。热力学分析表明,对于所有组成,溶解是一个吸热过程且具有有利的熵变。与破坏乙醇氢键网络所需的高能量相比,SMT在MeCN中较高的溶解度归因于形成溶质空穴所需的能量成本较低。这种行为可以用焓 - 熵补偿现象来解释。该现象为设计制药工艺提供了重要的物理化学基础。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/475f/12430001/1a01ac62a685/molecules-30-03590-g005.jpg

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