Quantitative structure-activity relationship (QSAR) prediction of (eco)toxicity of short aliphatic protic ionic liquids

Ecotoxicology and Environmental Safety
Brezana PericMaria Antonia Garau

Abstract

Ionic liquids (ILs) are considered as a group of very promising compounds due to their excellent properties (practical non-volatility, high thermal stability and very good and diverse solving capacity). The ILs have a good prospect of replacing traditional organic solvents in vast variety of applications. However, the complete information on their environmental impact is still not available. There is also an enormous number of possible combinations of anions and cations which can form ILs, the fact that requires a method allowing the prediction of toxicity of existing and potential ILs. In this study, a group contribution QSAR model has been used in order to predict the (eco)toxicity of protic and aprotic ILs for five tests (Microtox®, Pseudokirchneriella subcapitata and Lemna minor growth inhibition test, and Acetylcholinestherase inhibition and Cell viability assay with IPC-81 cells). The predicted and experimental toxicity are well correlated. A prediction of EC50 for these (eco)toxicity tests has also been made for eight representatives of the new family of short aliphatic protic ILs, whose toxicity has not been determined experimentally to date. The QSAR model applied in this study can allow the selection of potentially le...Continue Reading

References

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Citations

Jan 23, 2016·Chemosphere·Maria V S OliveiraÁlvaro S Lima
Oct 10, 2015·Ecotoxicology and Environmental Safety·Alla P ToropovaJerzy Leszczynski
Jul 29, 2015·Ecotoxicology and Environmental Safety·Huijun LiuYing Dong
Jan 28, 2017·Ecotoxicology and Environmental Safety·Matija CvetnicAna Loncaric Bozic
Jul 20, 2017·Physical Chemistry Chemical Physics : PCCP·Joshua E S J ReidManuel E Minas da Piedade
Sep 16, 2017·Physical Chemistry Chemical Physics : PCCP·I E Kłosowska-ChomiczewskaC Jungnickel
Oct 28, 2019·BMC Bioinformatics·Sunyoung KwonSungroh Yoon
Dec 22, 2019·Biotechnology Journal·Magaret SivapragasamMasahiro Goto
Sep 27, 2018·Environmental Science and Pollution Research International·Alla P Toropova, Andrey A Toropov
May 7, 2021·Journal of Hazardous Materials·Sandra MaginaDmitry V Evtuguin
May 12, 2021·The Science of the Total Environment·Chul-Woong ChoYeoung-Sang Yun
Jun 3, 2021·International Journal of Molecular Sciences·Ana R P GonçalvesCarla S G P Queirós
Jul 31, 2021·The Science of the Total Environment·Kuan Shiong KhooPau Loke Show

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