A toxic equivalency factor scale for polychlorinated dibenzofurans
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Abstract
The ethoxyresorufin O-deethylase (EROD) induction of 20 polychiorinated dibenzofurans (PCDFs) was examined in the H4IIE rat hepatoma cell bioassay. The selection of the compounds tested was based on a multivariate chemical characterization laying the groundwork for covering the whole chemical series of PCDFs. The EROD induction potency was found to vary in ED50 values from 25 to 100,000,000 pg/mg, i.e., nearly seven orders of magnitude. The response of the bioassay was calibrated against the 2,3,7,8-tetrachlorodibenzo-p-dioxin, enabling the corresponding toxic equivalency factors (TEFs) to be calculated. In order to establish a quantitative structure-activity relationship (QSAR) for the TEF values, 37 physicochemical descriptor variables were used to chemically characterize the 87 tetra- to octachlorinated PCDFs. Using partial least-squares modeling on a training set of 10 congeners, a QSAR model with sound predictive power was obtained. The QSAR model was validated with a validation set of additional 10 congeners. The predicted TEFs indicate that a large number of congeners are potent EROD inducers.
| Publication type | Article |
|---|---|
| Publication Subtype | Journal Article |
| Title | A toxic equivalency factor scale for polychlorinated dibenzofurans |
| Series title | Toxicological Sciences |
| DOI | 10.1093/toxsci/22.2.277 |
| Volume | 22 |
| Issue | 2 |
| Year Published | 1994 |
| Language | English |
| Publisher | Oxford Journals |
| Contributing office(s) | Columbia Environmental Research Center |
| Description | 9 p. |
| First page | 277 |
| Last page | 285 |
| Google Analytic Metrics | Metrics page |