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

被引：12

作者：

Behrendt, H

Altschuh, J

Sixt, S

Gasteiger, J

Höllering, R

Kostka, T

机构：

[1] GSF, Natl Res Ctr Environm & Hlth, Inst Biomath & Biometry, D-85764 Neuherberg, Germany

[2] Univ Erlangen Nurnberg, Comp Chem Ctr, Inst Organ Chem, D-91052 Erlangen, Germany

来源：

CHEMOSPHERE | 1999年 / 38卷 / 08期

关键词：

s-triazines; metabolites; reaction prediction; exposure assessment; ranking; structure-fate relationships;

D O I：

10.1016/S0045-6535(98)00396-8

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

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. (C) 1999 Elsevier Science Ltd. All rights reserved.

引用

页码：1811 / 1823

页数：13

共 34 条

[1] CONCEPTS OF SOLUTE LEACHING IN SOILS - A REVIEW OF MODELING APPROACHES [J].