文献类型：期刊文献

英文题名：Solubility Behavior of Meglumine Form I in 12 Pure Solvents: Experimental Measurements, Thermodynamic Modeling, And Solvation Mechanism Analysis

作者：Jia, Lihong[1];He, Zixiang[2];Huang, Hanchang[1];Fan, Xing[1];Sui, Yuan[1];Han, Yongping[1]

第一作者：Jia, Lihong

通讯作者：Han, YP[1]

机构：[1]Beijing Union Univ, Coll Biochem Engn, Beijing 100023, Peoples R China;[2]Kunlun Digital Technol Co Ltd, Beijing 100007, Peoples R China

第一机构：北京联合大学生物化学工程学院

通讯机构：[1]corresponding author), Beijing Union Univ, Coll Biochem Engn, Beijing 100023, Peoples R China.|[1141726]北京联合大学生物化学工程学院;[11417]北京联合大学;

年份：2026

外文期刊名：JOURNAL OF CHEMICAL AND ENGINEERING DATA

收录：;EI(收录号：20262020711808);Scopus(收录号：2-s2.0-105038684659);WOS:【SCI-EXPANDED(收录号:WOS:001753423300001)】；

基金：The authors are grateful for the National Natural Science Foundation of China (22508016); the Research and Innovation Cultivation Program of Beijing Union University (JZK30202502); the R&D Program of Beijing Municipal Education Commission (KM202411417010); Beijing Union University 2025 Morning Star Undergraduate Innovation Program (20051011).

语种：英文

摘要：The solubility of meglumine Form I was systematically determined in 12 pure solvents (methanol, ethanol, n-propanol, isopropanol, n-butanol, ethyl formate, methyl acetate, ethyl acetate, tetrahydrofuran, 1,4-dioxane, N,N-dimethylformamide (DMF), and acetonitrile) using a gravimetric method over the temperature range of 288.15 to 328.15 K. Solubility increased with temperature in all systems, with DMF exhibiting the highest solubility and acetonitrile the lowest. Three thermodynamic models (the modified Apelblat, lambda h, and van't Hoff) were employed to correlate the solubility data, among which the modified Apelblat model provided the best fit. The solubility behavior of meglumine Form I was further analyzed using Hirshfeld surface analysis, the Kamlet-Abboud-Taft linear solvation energy relationship (KAT-LSER) model. The results demonstrate that the solvent's hydrogen-bond acceptor capability is the key determinant of solubility, as it generates sufficiently strong solute-solvent interactions to overcome the robust hydrogen-bond network within the crystal lattice. These findings provide essential thermodynamic data and mechanistic insights for the optimization of meglumine crystallization and formulation processes.