Faculty of Chemical Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak, Malaysia.
Faculty of Chemical Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak, Malaysia.
J Hazard Mater. 2015 Oct 30;297:198-206. doi: 10.1016/j.jhazmat.2015.04.082. Epub 2015 May 1.
Tuning the characteristics of solvents to fit industrial requirements has currently become a major interest in both academic and industrial communities, notably in the field of room temperature ionic liquids (RTILs), which are considered one of the most promising green alternatives to molecular organic solvents. In this work, several sets of imidazolium-based ionic liquids were synthesized, and their toxicities were assessed towards four human pathogens bacteria to investigate how tunability can affect this characteristic. Additionally, the toxicity of particular RTILs bearing an amino acid anion was introduced in this work. EC50 values (50% effective concentration) were established, and significant variations were observed; although all studied ILs displayed an imidazolium moiety, the toxicity values were found to vary between 0.05 mM for the most toxic to 85.57 mM for the least toxic. Linear quantitative structure activity relationship models were then developed using the charge density distribution (σ-profiles) as molecular descriptors, which can yield accuracies as high as 95%.
调整溶剂的特性以满足工业需求目前已成为学术界和工业界的主要关注点，尤其是在室温离子液体 (RTILs) 领域，它们被认为是最有前途的绿色替代分子有机溶剂之一。在这项工作中，合成了几组合成的基于咪唑的离子液体，并评估了它们对四种人类病原体细菌的毒性，以研究可调节性如何影响这一特性。此外，本文还介绍了具有氨基酸阴离子的特定 RTIL 的毒性。确定了 EC50 值（50%有效浓度），并观察到了显著的变化；尽管所有研究的 IL 都显示出咪唑部分，但毒性值在最毒的 0.05 mM 到最不毒的 85.57 mM 之间变化。然后使用电荷密度分布（σ-轮廓）作为分子描述符开发了线性定量结构活性关系模型，其准确度高达 95%。
