Ammari Negin, Shekaari Hemayat, Golmohammadi Behrang, Ghaffari Fariba, Zafarani-Moattar Mohammed Taghi
Department of Physical Chemistry, University of Tabriz, Tabriz, Iran.
Sci Rep. 2025 Apr 22;15(1):13867. doi: 10.1038/s41598-025-95345-8.
Choline salicylate [Ch][Sal] an active pharmaceutical ingredient ionic liquid (API-IL) aqueous solutions in the presence of L-glycine that is a simple simulated biological media has been studied. The thermodynamic and transport properties including density, speed of sound, viscosity and electrical conductance have been studied under atmospheric pressure and a temperature range of (288.15 to 318.15) K. The key thermophysical properties, including apparent molar volume (V), apparent molar isentropic compressibility (κ), viscosity B-coefficient, ion association constant (K), and limiting molar conductivity (Λ) were derived from these data. The transfer properties (ΔV, Δκ, and ΔB) demonstrate the dominance hydrophilic-hydrophilic interactions between the IL and L-glycine in the studied systems that increased with L-glycine concentration. The COSMO results revealed that differences in molecular size, stability, and hydration behavior of [Ch][Sal] and L-glycine, with [Ch][Sal] exhibiting stronger hydration due to its larger size and hydrogen bonding capacity. These findings provide insights into solute-solvent interactions and potential synergistic effects of [Ch][Sal] and L-glycine as a simple simulated biological media contributing to the optimization of pharmaceutical formulations and related activities.
已对水杨酸胆碱[Ch][Sal]这种活性药物成分离子液体（API - IL）在作为简单模拟生物介质的L - 甘氨酸存在下的水溶液进行了研究。在大气压和（288.15至318.15）K的温度范围内，研究了包括密度、声速、粘度和电导率在内的热力学和传输性质。从这些数据中得出了关键的热物理性质，包括表观摩尔体积（V）、表观摩尔等熵压缩系数（κ）、粘度B系数、离子缔合常数（K）和极限摩尔电导率（Λ）。转移性质（ΔV、Δκ和ΔB）表明在所研究的体系中，离子液体与L - 甘氨酸之间亲水 - 亲水相互作用占主导，且随着L - 甘氨酸浓度的增加而增强。COSMO结果表明，[Ch][Sal]和L - 甘氨酸在分子大小、稳定性和水合行为方面存在差异，[Ch][Sal]因其较大的尺寸和氢键能力而表现出更强的水合作用。这些发现为溶质 - 溶剂相互作用以及[Ch][Sal]和L - 甘氨酸作为简单模拟生物介质的潜在协同效应提供了见解，有助于药物制剂的优化及相关活性研究。
