Drug Theoretics and Cheminformatics Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700 032, India.
Mol Divers. 2013 Feb;17(1):151-96. doi: 10.1007/s11030-012-9413-y. Epub 2013 Jan 17.
In order to protect the life of all creatures living in the environment, the toxicity arising from various hazardous chemicals must be controlled. This imposes a serious responsibility on different chemical, pharmaceutical, and other biological industries to produce less harmful chemicals. Among various international initiatives on harmful aspects of chemicals, the 'Green Chemistry' ideology appears to be one of the most highlighted concepts that focus on the use of eco-friendly chemicals. Ionic liquids are a comparatively new addition to the huge garrison of chemical compounds released from the industry. Extensive research on ionic liquids in the past decade has shown them to be highly useful chemicals with a good degree of thermal and chemical stability, appreciable task specificity and minimal environmental release resulting in a notion of 'green chemical'. However, studies have also shown that ionic liquids are not intrinsically non-toxic agents and can pose severe degree of toxicity as well as the risk of bioaccumulation depending upon their structural components. Moreover, ionic liquids possess issues of waste generation during synthesis as well as separation problems. Predictive quantitative structure-activity relationship (QSAR) models constitute a rational opportunity to explore the structural attributes of ionic liquids towards various physicochemical and toxicological endpoints and thereby leading to the design of environmentally more benevolent analogues with higher process selectivity. Such studies on ionic liquids have been less extensive compared to other industrial chemicals. The present review attempts to summarize different QSAR studies performed on these chemicals and also highlights the safety, health and environmental issues along with the application specificity on the dogma of 'green chemistry'.
为了保护生活在环境中的所有生物的生命，必须控制各种危险化学品所产生的毒性。这就对不同的化学、制药和其他生物产业施加了严格的责任，要求它们生产毒性更小的化学品。在各种关于化学品有害方面的国际倡议中，“绿色化学”理念似乎是最突出的概念之一，它侧重于使用环保型化学品。离子液体是工业界释放的大量化合物中的一个相对较新的成员。在过去十年中，对离子液体的广泛研究表明，它们是非常有用的化学品，具有良好的热稳定性和化学稳定性、可观的任务特异性和最小的环境释放，从而产生了“绿色化学”的概念。然而，研究也表明，离子液体并非本质上无毒，并且根据其结构成分，可能会产生严重的毒性和生物累积风险。此外，离子液体在合成过程中会产生废物，并且在分离方面也存在问题。预测定量构效关系（QSAR）模型构成了探索离子液体对各种物理化学和毒理学终点的结构属性的合理机会，从而导致设计出对环境更有利、具有更高过程选择性的类似物。与其他工业化学品相比，对离子液体的这些研究还不够广泛。本综述试图总结对这些化学品进行的不同 QSAR 研究，并重点介绍安全、健康和环境问题以及应用特异性，以证明其符合“绿色化学”的原则。
