Janbezar Elaheh, Shekaari Hemayat, Bagheri Mohammad
Department of Physical Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz, 5166616471, Iran.
Sci Rep. 2025 May 14;15(1):16813. doi: 10.1038/s41598-025-99596-3.
Betaine as a bio-based surfactant, has been found in a variety of natural sources. Betaine improves drug absorption, protect drugs from degradation, and enhance the performance of various therapeutic and hygiene products. To investigate the interactions between gabapentin (an antiepileptic drug) and betaine-based compounds, series of experiments were conducted at 298 K. These experiments involved volumetric, viscometric, and surface tension measurements of aqueous solutions containing gabapentin and various betaine-based compounds, including betaine, betaine octyl ester chloride ionic liquid and betaine-urea deep eutectic solvent (molar ratio of 1:2). Additionally, the Conductor like Screening Model (COSMO) method were employed to gain further insights into molecular interactions governing these systems. The volumetric studies revealed that the standard partial molar volumes V of the betaine-based compounds increased with increasing gabapentin concentration, suggesting significant solute-solvent interactions. The apparent specific volume (ASV) and the hydration number (n) for gabapentin in the examined systems were calculated. The analysis of the obtained ASV and n values indicated that gabapentin exhibits a bitter taste in aqueous deep eutectic solvent (DES) solutions and in the presence of betaine it gets most dehydrated. The viscosity measurements, analyzed using the Jones-Dole equation, yielded negative viscosity B-coefficient values for the betaine octyl ester chloride ionic liquid, suggesting its potential to enhance the drug-related properties of gabapentin. Surface tension measurements were used to determine the critical micelle concentration (CMC) of the betaine-based compounds and their related surface properties such as interface surface pressure (Π), and Gibbs maximum excess surface concentration ([Formula: see text]). The CMC values decreased with increasing gabapentin concentration, indicating enhanced micellization. The betaine octyl ester chloride ionic liquid exhibited the lowest CMC, suggesting its superior ability to form micelles. The results of this study suggested that the betaine-based compounds improve drug absorption, protect drugs from degradation, and enhance the performance of various therapeutic and hygiene products underscores their importance in both the pharmaceutical and industrial sectorsunds, particularly the betaine octyl ester chloride, may have the potential to improve the drug-related properties of gabapentin.
甜菜碱作为一种生物基表面活性剂,存在于多种天然来源中。甜菜碱可改善药物吸收,保护药物不被降解,并提高各种治疗和卫生产品的性能。为了研究加巴喷丁(一种抗癫痫药物)与甜菜碱基化合物之间的相互作用,在298K下进行了一系列实验。这些实验包括对含有加巴喷丁和各种甜菜碱基化合物(包括甜菜碱、甜菜碱辛酯氯化物离子液体和甜菜碱-尿素低共熔溶剂(摩尔比1:2))的水溶液进行体积、粘度和表面张力测量。此外,采用导体类筛选模型(COSMO)方法进一步深入了解控制这些体系的分子相互作用。体积研究表明,甜菜碱基化合物的标准偏摩尔体积V随着加巴喷丁浓度的增加而增加,表明溶质-溶剂之间存在显著相互作用。计算了所研究体系中加巴喷丁的表观比容(ASV)和水合数(n)。对所得ASV和n值的分析表明,加巴喷丁在水相低共熔溶剂(DES)溶液中呈苦味,且在甜菜碱存在下脱水程度最高。使用琼斯-多尔方程分析粘度测量结果,得出甜菜碱辛酯氯化物离子液体的粘度B系数为负值,表明其具有增强加巴喷丁药物相关性质的潜力。表面张力测量用于确定甜菜碱基化合物的临界胶束浓度(CMC)及其相关表面性质,如界面表面压力(Π)和吉布斯最大过量表面浓度([公式:见正文])。CMC值随着加巴喷丁浓度的增加而降低,表明胶束化增强。甜菜碱辛酯氯化物离子液体的CMC最低,表明其形成胶束的能力更强。本研究结果表明,甜菜碱基化合物可改善药物吸收,保护药物不被降解,并提高各种治疗和卫生产品的性能,这突出了它们在制药和工业领域的重要性,特别是甜菜碱辛酯氯化物可能具有改善加巴喷丁药物相关性质的潜力。