Development of a fragment constant method for estimating the mixture toxicity.
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 (deltaTi) to EC50M. Thus, a linear regression equation is established between the toxicity contribution deltaTi and the fragment constants of Hansch f(i), and this equation is so significant that it helps provide an approach for calculating EC50M.
Lin
Z
Z
Laboratory of Tropical Marine Environmental Dynamics, South China Sea Institute of Oceanology, Chinese Academy of Sciences, Guangzhou 510301, PR China. lzhifen@yahoo.com
Wang
L
L
Shi
P
P
Zhao
D
D
Yin
K
K
D004347:Drug Interactions; D004785:Environmental Pollutants / Q000633:toxicity*; D008962:Models, Theoretical; D010776:Photobacterium; D018675:Toxicity Tests
D004785:Environmental Pollutants