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Linear regression model for predicting interactive mixture toxicity of pesticide and ionic liquid

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Abstract

The nature of most environmental contaminants comes from chemical mixtures rather than from individual chemicals. Most of the existed mixture models are only valid for non-interactive mixture toxicity. Therefore, we built two simple linear regression-based concentration addition (LCA) and independent action (LIA) models that aim to predict the combined toxicities of the interactive mixture. The LCA model was built between the negative log-transformation of experimental and expected effect concentrations of concentration addition (CA), while the LIA model was developed between the negative log-transformation of experimental and expected effect concentrations of independent action (IA). Twenty-four mixtures of pesticide and ionic liquid were used to evaluate the predictive abilities of LCA and LIA models. The models correlated well with the observed responses of the 24 binary mixtures. The values of the coefficient of determination (R 2) and leave-one-out (LOO) cross-validated correlation coefficient (Q 2) for LCA and LIA models are larger than 0.99, which indicates high predictive powers of the models. The results showed that the developed LCA and LIA models allow for accurately predicting the mixture toxicities of synergism, additive effect, and antagonism. The proposed LCA and LIA models may serve as a useful tool in ecotoxicological assessment.

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References

  • Altenburger R, Walter H, Grote M (2004) What contributes to the combined effect of a complex mixture? Environ Sci Technol 38:6353–6362

    Article  CAS  Google Scholar 

  • Altenburger R, Schmitt H, Schuurmann G (2005) Algal toxicity of nitrobenzenes: combined effect analysis as a pharmacological probe for similar modes of interaction. Environ Toxicol Chem 24:324–333

    Article  CAS  Google Scholar 

  • Backhaus T, Faust M (2009) State of the art report on mixture toxicity. http://ec.europa.eu/environment/chemicals/effects/pdf/report_mixture_toxicity.pdf Accessed 30 Dec 2013

  • Backhaus T, Faust M (2012) Predictive environmental risk assessment of chemical mixtures: a conceptual framework. Environ Sci Technol 46:2564–2573

    Article  CAS  Google Scholar 

  • Backhaus T, Altenburger R, Boedeker W, Faust M, Scholze M, Grimme LH (2000) Predictability of the toxicity of a multiple mixture of dissimilarly acting chemicals to Vibrio fischeri. Environ Toxicol Chem 19:2348–2356

    Article  CAS  Google Scholar 

  • Backhaus T, Faust M, Scholze M, Gramatica P, Vighi M, Grimme LH (2004) Joint algal toxicity of phenylurea herbicides is equally predictable by concentration addition and independent action. Environ Toxicol Chem 23:258–264

    Article  CAS  Google Scholar 

  • Belden JB, Gilliom RJ, Lydy MJ (2007) How well can we predict the toxicity of pesticide mixtures to aquatic life? Integr Environ Assess Manage 3:364–372

    Article  CAS  Google Scholar 

  • Bliss CI (1939) The toxicity of poisons applied jointly. Ann Appl Biol 26:585–615

    Article  CAS  Google Scholar 

  • Cedergreen N, Christensen AM, Kamper A, Kudsk P, Mathiassen SK, Streibig JC, Srensen H (2008) A review of independent action compared to concentration addition as reference models for mixtures of compounds with different molecular target sites. Environ Toxicol Chem 27:1621–1632

    Article  CAS  Google Scholar 

  • Dou RN, Liu SS, Mo LY, Liu HL, Deng FC (2011) A novel direct equipartition ray design (EquRay) procedure for toxicity interaction between ionic liquid and dichlorvos. Environ Sci Pollut Res 18:734–742

    Article  CAS  Google Scholar 

  • Garcia MAM, Lage MAP (2013) Dose-response analysis in the joint action of two effectors. A new approach to simulation, identification and modelling of some basic interactions. Plos One 8(4). doi:10.1371/journal.pone.0061391

  • Gessner PK (1995) Isobolographic analysis of interactions: an update on applications and utility. Toxicology 105:161–179

    Article  CAS  Google Scholar 

  • Grabovsky Y, Tallarida RJ (2004) Isobolographic analysis for combinations of a full and partial agonist: curved isoboles. J Pharmacol Exp Ther 310:981–986

    Article  CAS  Google Scholar 

  • Johnson CM, Achary M, Suri RP (2013) An interaction model for estimating in vitro estrogenic and androgenic activity of chemical mixtures. Environ Sci Technol 47:4661–4669

    Article  CAS  Google Scholar 

  • Junghans M (2004) Studies on combination effects of environmentally relevant toxicants. Dissertation, University of Bremen

  • Khuri AI (2009) Linear model methodology. Chapman & Hall/CRC, London

    Book  Google Scholar 

  • Liu SS, Song XQ, Liu HL, Zhang YH, Zhang J (2009) Combined photobacterium toxicity of herbicide mixtures containing one insecticide. Chemosphere 75(3):381–388

    Article  CAS  Google Scholar 

  • Liu SS, Zhang J, Zhang YH, Qin LT (2012) APTox: assessment and prediction on toxicity of chemical mixtures. Acta Chim Sin 70(14):1511–1571. doi:10.6023/a12050175

    Article  CAS  Google Scholar 

  • Liu SS, Liu L, Chen F (2013a) Application of the concentration addition model in the assessment of chemical mixture toxicity. Acta Chim Sin 71:1335–1340

    Article  CAS  Google Scholar 

  • Liu SS, Wang CL, Zhang J, Zhu XW, Li WY (2013b) Combined toxicity of pesticide mixtures on green algae and photobacteria. Ecotoxicol Environ Saf 95:98–103. doi:10.1016/j.ecoenv.2013.05.018

    Article  CAS  Google Scholar 

  • Loewe S, Muischnek H (1926) Effect of combinations: mathematical basis of problem. Naunyn Schmiedebergs Arch Exp Pathol Pharmakol 114:313–326

    Article  CAS  Google Scholar 

  • Martin HL, Svendsen C, Lister LJ, Gomez-Eyles JL, Spurgeon DJ (2009) Measurement and modeling of the toxicity of binary mixtures in the nematode Caenorhabditis nlegans—a test of independent action. Environ Toxicol Chem 28:97–104

    Article  CAS  Google Scholar 

  • Mwense M, Wang XZ, Buontempo FV, Horan N, Young A, Osborn D (2004) Prediction of noninteractive mixture toxicity of organic compounds based on a fuzzy set method. J Chem Inf Comp Sci 44:1763–1773

    Article  CAS  Google Scholar 

  • Mwense M, Wang XZ, Buontempo FV, Horan N, Young A, Osborn D (2006) QSAR approach for mixture toxicity prediction using independent latent descriptors and fuzzy membership functions. SAR QSAR Environ Res 17(1):53–73

    Article  CAS  Google Scholar 

  • Olmstead AW, LeBlanc GA (2005) Toxicity assessment of environmentally relevant pollutant mixtures using a heuristic model. Integr Environ Assess Manage 1:114–122

    Article  CAS  Google Scholar 

  • Qin LT, Liu SS, Zhang J, Xiao QF (2011) A novel model integrated concentration addition with independent action for the prediction of toxicity of multi-component mixture. Toxicology 280:164–172

    Article  CAS  Google Scholar 

  • Ra JS, Lee BC, Chang NI, Kim SD (2006) Estimating the combined toxicity by two-step prediction model on the complicated chemical mixtures from wastewater treatment plant effluents. Environ Toxicol Chem 25:2107–2113

    Article  CAS  Google Scholar 

  • Rider CV, LeBlanc GA (2005) An integrated addition and interaction model for assessing toxicity of chemical mixtures. Toxicol Sci 87:520–528

    Article  CAS  Google Scholar 

  • Sorensen H, Cedergreen N, Skovgaard IM, Streibig JC (2007) An isobole-based statistical model and test for synergism/antagonism in binary mixture toxicity experiments. Environ Ecol Stat 14:383–397

    Article  Google Scholar 

  • Weisberg S (2005) Applied linear regression (vol 528). Wiley, Hoboken

    Book  Google Scholar 

  • Zhang YH, Liu SS, Song XQ, Ge HL (2008) Prediction for the mixture toxicity of six organophosphorus pesticides to the luminescent bacterium Q67. Ecotox Environ Safe 71:880–888

    Article  CAS  Google Scholar 

  • Zhang J, Liu SS, Liu HL (2009) Effect of ionic liquid on the toxicity of pesticide to Vibrio-qinghaiensis sp.-Q67. J Hazard Mater 170:920–927

    Article  CAS  Google Scholar 

  • Zhang J, Liu SS, Dou RN, Liu HL (2011) Evaluation on the toxicity of ionic liquid mixture with antagonism and synergism to Vibrio qinghaiensis sp.-Q67. Chemosphere 82:1024–1029

    Article  CAS  Google Scholar 

  • Zhang J, Liu SS, Yu ZY, Liu HL (2012a) Significant contributions of ionic liquids containing tetrafluoroborate and trifluoromethanesulfonate to antagonisms and synergisms in multi-component mixtures. J Hazard Mater 209:158–163

    Article  Google Scholar 

  • Zhang J, Liu SS, Zhang J, Qin LT, Deng HP (2012b) Two novel indices for quantitatively characterizing the toxicity interaction between ionic liquid and carbamate pesticides. J Hazard Mater 239–240:102–109

    Google Scholar 

Download references

Acknowledgments

This work was financed by the National Natural Science Foundation of China (Nos. 21407032, 21207024, and 51268008), Guangxi College of Science and Technology Research Projects (ZD2014059).

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Authors and Affiliations

  1. College of Environmental Science and Engineering, Guilin University of Technology, Guilin, 541004, People’s Republic of China

    Li-Tang Qin, Jie Wu, Ling-Yun Mo, Hong-Hu Zeng & Yan-Peng Liang

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  1. Li-Tang Qin
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  2. Jie Wu
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  3. Ling-Yun Mo
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  4. Hong-Hu Zeng
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  5. Yan-Peng Liang
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Correspondence to Hong-Hu Zeng.

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Responsible editor: Henner Hollert

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Qin, LT., Wu, J., Mo, LY. et al. Linear regression model for predicting interactive mixture toxicity of pesticide and ionic liquid. Environ Sci Pollut Res 22, 12759–12768 (2015). https://doi.org/10.1007/s11356-015-4584-6

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  • DOI: https://doi.org/10.1007/s11356-015-4584-6

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