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Modeling acute toxicity of metal mixtures to wheat (Triticum aestivum L.) using the biotic ligand model-based toxic units method.
Sci Rep. 2017 08 25; 7(1):9443.SR

Abstract

The combined toxic effects of copper (Cu) and cobalt (Co) were predicted using the biotic ligand model (BLM) for different concentrations of magnesium (Mg2+) and pH levels, with parameters derived from Cu-only and Co-only toxicity data. The BLM-based toxic unit (TU) approach was used for prediction. Higher activities of Mg2+ linearly increased the EC50 of Cu and Co, supporting the concept of competitive binding of Mg2+ and metal ions in toxic action. The effects of pH on Cu and Co toxicity were related not only to free Cu2+ and Co2+ activity, respectively, but also to inorganic metal complexes. Stability constants for the binding of Cu2+, CuHCO3+, CuCO3(aq), CuOH+, Mg2+, Co2+, CoHCO3+ and Mg2+ with biotic ligands were logK CuBL 5.87, [Formula: see text] 5.67, [Formula: see text] 5.44, logK CuOHBL 5.07, logK MgBL 2.93, logK CoBL 4.72, [Formula: see text] 5.81 and logK MgBL 3.84, respectively. The combinations of Cu and Co showed additive effects under different conditions. When compared with the FIAM-based TU model (root mean square error [RMSE = 16.31, R 2 = 0.84]), the BLM-based TU model fitted the observed effects better (RMSE = 6.70, R 2 = 0.97). The present study supports the BLM principles, which indicate that metal speciation and major cations competition need to be accounted for when predicting toxicity of both single metals and mixtures of metals.

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Authors+Show Affiliations

Wu M
The Key Lab of Resource Environment and GIS, College of Resource Environment and Tourism, Capital Normal University, Beijing, 100048, P. R. China.
Wang X
The Key Lab of Resource Environment and GIS, College of Resource Environment and Tourism, Capital Normal University, Beijing, 100048, P. R. China. xdwang@cnu.edu.cn.
Jia Z
Department of Horticulture, Hebei North University, Zhangjiakou, 075000, P. R. China.
De Schamphelaere K
Laboratory of Environmental Toxicology and Aquatic Ecology, Environmental Toxicology Unit, Ghent University, Ghent, B-9000, Belgium.
Ji D
The Key Lab of Resource Environment and GIS, College of Resource Environment and Tourism, Capital Normal University, Beijing, 100048, P. R. China.
Li X
The Key Lab of Resource Environment and GIS, College of Resource Environment and Tourism, Capital Normal University, Beijing, 100048, P. R. China.
Chen X
The Key Lab of Resource Environment and GIS, College of Resource Environment and Tourism, Capital Normal University, Beijing, 100048, P. R. China.

MeSH

CationsCobaltCopperEdible GrainHydrogen-Ion ConcentrationLigandsMagnesiumModels, BiologicalPlant RootsTriticum

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

28842695

Citation

Wu, Mingyan, et al. "Modeling Acute Toxicity of Metal Mixtures to Wheat (Triticum Aestivum L.) Using the Biotic Ligand Model-based Toxic Units Method." Scientific Reports, vol. 7, no. 1, 2017, p. 9443.
Wu M, Wang X, Jia Z, et al. Modeling acute toxicity of metal mixtures to wheat (Triticum aestivum L.) using the biotic ligand model-based toxic units method. Sci Rep. 2017;7(1):9443.
Wu, M., Wang, X., Jia, Z., De Schamphelaere, K., Ji, D., Li, X., & Chen, X. (2017). Modeling acute toxicity of metal mixtures to wheat (Triticum aestivum L.) using the biotic ligand model-based toxic units method. Scientific Reports, 7(1), 9443. https://doi.org/10.1038/s41598-017-09940-5
Wu M, et al. Modeling Acute Toxicity of Metal Mixtures to Wheat (Triticum Aestivum L.) Using the Biotic Ligand Model-based Toxic Units Method. Sci Rep. 2017 08 25;7(1):9443. PubMed PMID: 28842695.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Modeling acute toxicity of metal mixtures to wheat (Triticum aestivum L.) using the biotic ligand model-based toxic units method. AU - Wu,Mingyan, AU - Wang,Xuedong, AU - Jia,Zhiguo, AU - De Schamphelaere,Karel, AU - Ji,Dongxue, AU - Li,Xiaoxiu, AU - Chen,Xiaolin, Y1 - 2017/08/25/ PY - 2017/03/10/received PY - 2017/08/01/accepted PY - 2017/8/27/entrez PY - 2017/8/27/pubmed PY - 2019/4/9/medline SP - 9443 EP - 9443 JF - Scientific reports JO - Sci Rep VL - 7 IS - 1 N2 - The combined toxic effects of copper (Cu) and cobalt (Co) were predicted using the biotic ligand model (BLM) for different concentrations of magnesium (Mg2+) and pH levels, with parameters derived from Cu-only and Co-only toxicity data. The BLM-based toxic unit (TU) approach was used for prediction. Higher activities of Mg2+ linearly increased the EC50 of Cu and Co, supporting the concept of competitive binding of Mg2+ and metal ions in toxic action. The effects of pH on Cu and Co toxicity were related not only to free Cu2+ and Co2+ activity, respectively, but also to inorganic metal complexes. Stability constants for the binding of Cu2+, CuHCO3+, CuCO3(aq), CuOH+, Mg2+, Co2+, CoHCO3+ and Mg2+ with biotic ligands were logK CuBL 5.87, [Formula: see text] 5.67, [Formula: see text] 5.44, logK CuOHBL 5.07, logK MgBL 2.93, logK CoBL 4.72, [Formula: see text] 5.81 and logK MgBL 3.84, respectively. The combinations of Cu and Co showed additive effects under different conditions. When compared with the FIAM-based TU model (root mean square error [RMSE = 16.31, R 2 = 0.84]), the BLM-based TU model fitted the observed effects better (RMSE = 6.70, R 2 = 0.97). The present study supports the BLM principles, which indicate that metal speciation and major cations competition need to be accounted for when predicting toxicity of both single metals and mixtures of metals. SN - 2045-2322 UR - https://www.unboundmedicine.com/medline/citation/28842695/Modeling_acute_toxicity_of_metal_mixtures_to_wheat__Triticum_aestivum_L___using_the_biotic_ligand_model_based_toxic_units_method_ L2 - https://doi.org/10.1038/s41598-017-09940-5 DB - PRIME DP - Unbound Medicine ER -