Environmental Science and Pollution Research

, Volume 23, Issue 9, pp 8500–8507 | Cite as

NMR- and LC–MS/MS-based urine metabolomic investigation of the subacute effects of hexabromocyclododecane in mice

  • Dezhen Wang
  • Ping Zhang
  • Xinru Wang
  • Yao Wang
  • Zhiqiang Zhou
  • Wentao ZhuEmail author
Research Article


In the present study, both untargeted and targeted metabolomics approaches were used to evaluate the subacute effects of hexabromocyclododecane (HBCD) on mice urine metabolome. Untargeted metabolomics based on 1H NMR showed that HBCD exposure disturbed mice metabolism in both dosed groups, especially in high dosed group. The low-dose HBCD led to a decrease in alanine, malonic acid, and trimethylamine (TMA). High-dose HBCD-treated mice developed high levels of citric acid and 2-ketoglutarate, together with decreased alanine, acetate, formate, TMA, 3-hydroxybutyrate, and malonic acid. Targeted metabolomics for metabolic profiling of 20 amino acids identified alanine, lysine, and phenylalanine as significantly disturbed metabolites. These results indicated that subchronic exposure to HBCD caused a disturbance of mice metabolism, especially in TCA cycle, lipid metabolism, gut microbial metabolism, and homeostasis of amino acids, and the application of untargeted and targeted metabolomics combined with conventional toxicology approaches to evaluate the subacute effects of pollutants will provide more comprehensive information and aid in predicting health risk of these pollutants.


1H NMR HBCD Metabolomics Urine Amino acids 



We gratefully acknowledge financial support of National Natural Science Foundation of China (21207158, 21337005) and Chinese Universities Scientific Fund (2012RC026).

Compliance with ethical standards

Conflict of interest

The authors report no declarations of interest.

Supplementary material

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Copyright information

© Springer-Verlag Berlin Heidelberg 2015

Authors and Affiliations

  • Dezhen Wang
    • 1
  • Ping Zhang
    • 1
  • Xinru Wang
    • 1
  • Yao Wang
    • 1
  • Zhiqiang Zhou
    • 1
  • Wentao Zhu
    • 1
    Email author
  1. 1.Beijing Advanced Innovation Center for Food Nutrition and Human Health, Department of Applied ChemistryChina Agricultural UniversityBeijingChina

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