Abstract This work mainly aimed to study the mole fraction solubility of biapenem in four binary solutions of N,N-dimethylformamide (DMF, 1) + water (2), isopropanol (1) + water (2), N-methyl-2-pyrrolidone (NMP, 1) + water (2) and ethanol (1) + water (2). Experiments were performed through a common static equilibrium method at temperatures from 283.15 to 323.15 K. The maximum solubility magnitudes were observed in pure solvent of DMF/NMP/isopropanol/ethanol for each solution. The achieved biapenem solubility was mathematically described by using two famous co-solvency models, Jouyban-Acree and van’t Hoff-Jouyban-Acree. The calculated relative average deviations were not greater than 4.20%; and root-mean-square deviations, not greater than 7.45 × 10−6. The linear solvation energy relationships method put forward by Kamlet and Taft was employed to examine the influence of solvent descriptors upon biapenem solubility behaviour. The principal contributors to solvent effect was hydrogen bond acidity for DMF/NMP mixtures; and hydrogen bond acidity and non-specific dipolarity-polarizability for isopropanol/ethanol mixtures. Quantitative local mole fractions of DMF (NMP, isopropanol or ethanol) and water nearby the biapenem were analyzed through Inverse Kirkwood–Buff integrals method. For the isopropanol/ethanol + water mixtures within water-rich compositions, biapenem was preferentially solvated by isopropanol/ethanol; while within intermediate and co-solvent-rich compositions, by water. However, for the DMF/NMP mixture within entire composition ranges, the absolute δx1,3 values were all smaller than 1.0 × 10−2, consequently biapenem was not preferentially solvated by DMF/NMP or water.

中文翻译：

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N,N-二甲基甲酰胺、N-甲基-2-吡咯烷酮、异丙醇和乙醇的二元水性混合物中的比阿培南：溶质-溶剂和溶剂-溶剂相互作用、溶解度测定和优先溶剂化

摘要 本工作主要研究比阿培南在 N,N-二甲基甲酰胺 (DMF, 1) + 水 (2)、异丙醇 (1) + 水 (2)、N-methyl-2- 四种二元溶液中的摩尔分数溶解度。吡咯烷酮 (NMP, 1) + 水 (2) 和乙醇 (1) + 水 (2)。在 283.15 到 323.15 K 的温度下通过常见的静态平衡方法进行实验。在 DMF/NMP/异丙醇/乙醇的纯溶剂中观察到每种溶液的最大溶解度大小。通过使用两个著名的共溶解度模型，Jouyban-Acree 和 van't Hoff-Jouyban-Acree，对获得的比阿培南溶解度进行数学描述。计算出的相对平均偏差不大于4.20%；和均方根偏差，不大于 7.45 × 10−6。Kamlet 和 Taft 提出的线性溶剂化能关系方法被用来检查溶剂描述符对比阿培南溶解度行为的影响。溶剂效应的主要贡献者是 DMF/NMP 混合物的氢键酸度；异丙醇/乙醇混合物的氢键酸度和非特定偶极-极化率。通过逆柯克伍德-布夫积分法分析了比阿培南附近 DMF（NMP、异丙醇或乙醇）和水的定量局部摩尔分数。对于富水组合物中的异丙醇/乙醇+水混合物，比阿培南优先被异丙醇/乙醇溶剂化；而在中间和富含共溶剂的组合物中，通过水。然而，对于整个组成范围内的 DMF/NMP 混合物，绝对值 δx1，