Ghasemzadeh Shima, Bagheri Mohammad, Shekaari Hemayat, Golmohammadi Behrang
Department of Physical Chemistry, University of Tabriz, Tabriz, Iran.
Sci Rep. 2025 Jan 2;15(1):28. doi: 10.1038/s41598-024-83777-7.
This study investigates the surface properties, micellization, and electrical conductivity of betaine-based ionic liquids (ILs) composed of [R-bet][Br] where R represents the C, C and C (specifically [Cbet][Br], [Cbet][Br], and [Cbet][Br]) in aqueous gabapentin solutions at concentrations of (0.0000, 0.0100, 0.0300, and 0.0500) mol kg at 298.15 K. The surface tension measurements revealed that increasing gabapentin concentration and alkyl chain length decrease surface tension, indicating significant hydrophobic and hydrophilic interactions. The related thermophysical micellization parameters, including critical micelle concentration (CMC) and minimum surface area per molecule (A), exhibited improved micellization and interfacial efficiency with longer alkyl chains. Thermodynamic analysis confirm the spontaneous nature of micelle formation, with more negative Gibbs free energy values for SAILs with longer alkyl chains. The electrical conductivity studies indicate lower limiting molar conductivity (Λ) at higher gabapentin concentrations, due to increased viscosity and ion-ion interactions. Ion association constants (K) and DFT-COSMO calculations support stronger hydrophobic interactions and molecular packing influenced by alkyl chain length and gabapentin.
本研究调查了在298.15 K下，浓度为(0.0000、0.0100、0.0300和0.0500) mol kg的加巴喷丁水溶液中，由[R - bet][Br]组成的甜菜碱类离子液体(ILs)的表面性质、胶束化和电导率，其中R代表C、C和C(具体为[Cbet][Br]、[Cbet][Br]和[Cbet][Br])。表面张力测量结果表明，加巴喷丁浓度和烷基链长度的增加会降低表面张力，这表明存在显著的疏水和亲水相互作用。相关的热物理胶束化参数，包括临界胶束浓度(CMC)和每个分子的最小表面积(A)，显示出随着烷基链变长，胶束化和界面效率得到提高。热力学分析证实了胶束形成的自发性，对于烷基链更长的SAILs，吉布斯自由能值更负。电导率研究表明，在较高的加巴喷丁浓度下，极限摩尔电导率(Λ)较低，这是由于粘度增加和离子-离子相互作用增强所致。离子缔合常数(K)和DFT - COSMO计算支持了受烷基链长度和加巴喷丁影响的更强的疏水相互作用和分子堆积。
