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Development of a Fragment Constant Method for Estimating the Mixture Toxicity

  • Z. Lin
  • L. Wang
  • P. Shi
  • D. Zhao
  • K. Yin
Article

Abstract

Based on Group Contribution Theory, a fragment constant model to estimate mixture toxicity is proposed in this paper. The toxicity (EC50M) of 58 mixtures is determined using Photobacterium phosphoreum. Analysis of these EC50M and the mole fraction of the individual chemical fragments (Br, Cl, NO2, OH, NH2) helps work out the fragment toxicity contribution (ΔTi) to EC50M. Thus, a linear regression equation is established between the toxicity contribution ΔTi and the fragment constants of Hansch fi, and this equation is so significant that it helps provide an approach for calculating EC50M.

Keywords

Toxicity Linear Regression Mole Fraction Group Contribution Linear Regression Equation 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag New York Inc. 2004

Authors and Affiliations

  • Z. Lin
    • 2
  • L. Wang
    • 2
  • P. Shi
    • 1
  • D. Zhao
    • 1
  • K. Yin
    • 1
  1. 1.Laboratory of Tropical Marine Environmental Dynamics, South China Sea Institute of Oceanology, Chinese Academy of Sciences, Guangzhou 510301China
  2. 2.School of the Environment, State Key Laboratory of Pollution Control and Resources Reuse, Nanjing University, Nanjing 210093China

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