PuSH - Publikationsserver des Helmholtz Zentrums München: A unified approach to exposure assessment by computer models for degradation reactions and soil accumulation : the triazine herbicide example.

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Behrendt, Herwart ; Altschuh, J. ; Sixt, S. ; Gasteiger, J. ; Höllering, R. ; Kostka, T.

A unified approach to exposure assessment by computer models for degradation reactions and soil accumulation : the triazine herbicide example.

Chemosphere 38, 1811-1823 (1999)

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Open Access Gold möglich sobald Verlagsversion bei der ZB eingereicht worden ist.

Abstract
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A comprehensive approach to exposure assessment of chemicals must include metabolites of the initial compounds. We present here an approach that combines a knowledge-based system for the prediction of degradation pathways with an analytical soil transport model. The performance of this combination of systems is illustrated with an analysis of seven s-triazine herbicides and their 35 degradation products. In a ranking procedure using the Hasse diagram technique, the relationships between chemical structure and the hazard potential in a loam soil scenario is analyzed. Sequences of chemical structures with comparable and non-comparable hazard potentials are identified.

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