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Molecules 2014, 19(5), 6877-6890; doi:10.3390/molecules19056877
Article

Two-Stage Prediction of the Effects of Imidazolium and Pyridinium Ionic Liquid Mixtures on Luciferase

1,2,* , 2,* , 1
 and
3
Received: 20 March 2014 / Revised: 15 May 2014 / Accepted: 19 May 2014 / Published: 23 May 2014
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Abstract

The predicted toxicity of mixtures of imidazolium and pyridinium ionic liquids (ILs) in the ratios of their EC50, EC10, and NOEC (no observed effect concentration) were compared to the observed toxicity of these mixtures on luciferase. The toxicities of EC50 ratio mixture can be effectively predicted by two-stage prediction (TSP) method, but were overestimated by the concentration addition (CA) model and underestimated by the independent action (IA) model. The toxicities of EC10 ratio mixtures can be basically predicted by TSP and CA, but were underestimated by IA. The toxicities of NOEC ratio mixtures can be predicted by TSP and CA in a certain concentration range, but were underestimated by IA. Our results support the use of TSP as a default approach for predicting the combined effect of different types of ILs at the molecular level. In addition, mixtures of ILs mixed at NOEC and EC10 could cause significant effects of 64.1% and 97.7%, respectively. Therefore, we should pay high attention to the combined effects in mixture risk assessment.
Keywords: ionic liquids; luciferase; molecular level; joint toxicity; concentration addition; independent action; two-stage prediction; NOEC; mixture risk assessment ionic liquids; luciferase; molecular level; joint toxicity; concentration addition; independent action; two-stage prediction; NOEC; mixture risk assessment
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Ge, H.-L.; Liu, S.-S.; Su, B.-X.; Zhu, X.-W. Two-Stage Prediction of the Effects of Imidazolium and Pyridinium Ionic Liquid Mixtures on Luciferase. Molecules 2014, 19, 6877-6890.

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