Mechanistic modelling of toxicokinetic processes within Myriophyllum spicatum
Language English Country England, Great Britain Media print-electronic
Document type Journal Article, Research Support, Non-U.S. Gov't
PubMed
25129053
DOI
10.1016/j.chemosphere.2014.07.065
PII: S0045-6535(14)00928-X
Knihovny.cz E-resources
- Keywords
- Modelling, Myriophyllum spicatum, Risk assessment, Time-variable exposure, Toxicokinetics,
- MeSH
- Water Pollutants, Chemical pharmacokinetics toxicity MeSH
- Magnoliopsida drug effects metabolism MeSH
- Models, Theoretical * MeSH
- Toxicokinetics MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
- Names of Substances
- Water Pollutants, Chemical MeSH
Effects of chemicals are, in most cases, caused by internal concentrations within organisms which rely on uptake and elimination kinetics. These processes might be key components for assessing the effects of time-variable exposure of chemicals which regularly occur in aquatic systems. However, the knowledge of toxicokinetic patterns caused by time-variable exposure is limited, and gaining such information is complex. In this work, a previously developed mechanistic growth model of Myriophyllum spicatum is coupled with a newly developed toxicokinetic part, providing a model that is able to predict uptake and elimination of chemicals, as well as distribution processes between plant compartments (leaves, stems, roots) of M. spicatum. It is shown, that toxicokinetic patterns, at least for most of the investigated chemicals, can be calculated in agreement with experimental observations, by only calibrating two chemical- specific parameters, the cuticular permeability and a plant/water partition coefficient. Through the model-based determination of the cuticular permeabilities of Isoproturon, Iofensulfuron, Fluridone, Imazamox and Penoxsulam, their toxicokinetic pattern can be described with the model approach. For the use of the model for predicting toxicokinetics of other chemicals, where experimental data is not available, equations are presented that are based on the log (P oct/wat) of a chemical and estimate parameters that are necessary to run the model. In general, a method is presented to analyze time-variable exposure of chemicals more in detail without conducting time and labour intensive experiments.
Alterra Wageningen University and Research Centre P O Box 47 6700 AA Wageningen The Netherlands
Bayer Crop Science AG Alfred Nobel Straße 50 40789 Monheim am Rhein Germany
Institute for Environmental Research RWTH Aachen University Worringerweg 1 52074 Aachen Germany
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