Related Experiment Video
Updated: Nov 12, 2025

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
Cumulative impact assessment of hazardous ionic liquids towards aquatic species using risk assessment methods
Muhammad Ishaq Khan1, Muhammad Mubashir2, Dzulkarnain Zaini1
1Centre of Advanced Process Safety (CAPS), Department of Chemical Engineering, Universiti Teknologi PETRONAS (UTP), 32610 Seri Iskandar, Perak, Malaysia.
Abstract:
In the present research work, a comprehensive tool for cumulative ecotoxicological impact assessment of ionic liquids (ILs) to aquatic life has been constructed. Using the probabilistic tool, impact of individual ILs to a group of aquatic species is assessed by chemical toxicity distributions (CTDs). The impact of group of ILs to individual aquatic species is assessed by species sensitivity distributions (SSDs). Acute toxicity data of imidazolium ILs with chloride (Cl-), bromide (Br-), tetrafluoroborate (BF4-), and hexafluorophosphate (PF6-) anions are used in CTD and SSD. Allowable concentrations for a group of Imidazolium ILs with the same mode of action (SMOA) to five aquatic species; Daphnia magna, Vibrio fischeri, Algae, Zebrafish, and Escherichia coli are estimated by CTDs. It has been concluded that 1-Butyl-3-methylimidazolium chloride (BMIMCl) possess the lowest risk at an acceptable risk value of 750 × 10-5 mmol/L which is 12% less than that of OMIMCl. Furthermore, the sensitivities towards the aquatic species reveal that from the studied ILs, BMIMBF4 with an acceptable risk value of 3200 × 10-5 mmol/L is the most suitable IL towards the selected aquatic species. Hence, current work provides cumulative allowable concentrations and acceptable risk values for ILs which release to aquatic compartment of ecosystem.

