Panić Jovana, Tot Aleksandar, Janković Nenad, Drid Patrik, Gadžurić Slobodan, Vraneš Milan
Faculty of Science, Department of Chemistry, Biochemistry and Environmental Protection, University of Novi Sad Trg Dositeja Obradovića 3 21000 Novi Sad Serbia
Department of Chemistry, Faculty of Science, University of Kragujevac Radoja Domanovića 12 34000 Kragujevac Serbia.
RSC Adv. 2020 Apr 6;10(24):14089-14098. doi: 10.1039/c9ra08815f.
The purpose of this paper was to examine the density, viscosity and electrical conductivity at different temperatures, as well as the thermal stability and structural properties of previously reported ionic liquids based on active pharmaceutical ingredients. Lidocaine-based ionic liquids, with ibuprofen and salicylate as counterion, were prepared first. Their structures were confirmed by infrared, mass and H and C nuclear magnetic resonance spectroscopy. The Newtonian behaviour of lidocaine ibuprofenate was confirmed from viscosity measurement results, while it was impossible to determine for lidocaine salicylate. The interactions and structures of the studied ionic liquids were analyzed based on the measured density values, viscosity, electrical conductivity, and calculated values of thermal expansion coefficients and activation energy of viscous flow. From a theoretical aspect, DFT and MD calculations were performed. The obtained descriptors and radial distribution, as well as structural functions, were used to understand the structural organization of the synthesized ionic liquids.
本文的目的是研究不同温度下的密度、粘度和电导率，以及先前报道的基于活性药物成分的离子液体的热稳定性和结构性质。首先制备了以布洛芬和水杨酸盐为抗衡离子的基于利多卡因的离子液体。通过红外、质谱以及氢和碳核磁共振光谱确认了它们的结构。从粘度测量结果证实了布洛芬利多卡因酯的牛顿行为，而对于水杨酸盐利多卡因则无法确定。基于测得的密度值、粘度、电导率以及计算得到的热膨胀系数和粘性流动活化能值，分析了所研究离子液体的相互作用和结构。从理论方面进行了密度泛函理论（DFT）和分子动力学（MD）计算。所获得的描述符、径向分布以及结构函数被用于理解合成离子液体的结构组织。
