Literature DB >> 11434281

The power of size. 1. Rate constants and equilibrium ratios for accumulation of organic substances related to octanol-water partition ratio and species weight.

A J Hendriks1, A van der Linde, G Cornelissen, D T Sijm.   

Abstract

Most of the thousands of substances and species that risk assessment has to deal with are not investigated empirically because of financial, practical, and ethical constraints. To facilitate extrapolation, we have developed a model for accumulation kinetics of organic substances as a function of the octanol-water partition ratio (Kow) of the chemical and the weight, lipid content, and trophic level of the species. The ecological parameters were obtained from a previous review on allometric regressions. The chemical parameters, that is, resistances that substances encounter in water and lipid layers of organisms, were calibrated on 1,939 rate constants for absorption from water for assimilation from food and for elimination. Their ratio was validated on 37 laboratory bioconcentration and biomagnification regressions and on 2,700 field bioaccumulation data. The rate constant for absorption increased with the hydrophobicity of the substances with a Kow up to about 1,000 and then leveled off, decreasing with the weight of the species. About 39% of the variation was explained by the model, while deviations of more than a factor of 5 were noted for labile, large, and less hydrophobic molecules as well as for algae, mollusks, and arthropods. The efficiency for assimilation of contaminants from food was determined mainly by the food digestibility and thus by the trophic level of the species. A distinction was made between substances that are stable, that is, with a minimum elimination only, and those that are labile, that is, with an excess elimination probably largely due to biotransformation. The rate constant for minimum elimination decreased with the hydrophobicity of the substance and the weight of the species. About 70% of the variation was explained by the model, while deviations of more than a factor of 5 were noted for algae, terrestrial plants, and benthic animals. Labile substances were eliminated faster than isolipophilic stable compounds, but differences in laboratory elimination and accumulation were small compared with those in field accumulation. Excess elimination by vertebrates was faster than by invertebrates. Differences between terrestrial and aquatic species were attributed to water turnover rates, whereas differences between trophic levels were due to the food digestibility. Food web accumulation, expressed as organism-organic solids and organism-food concentrations ratios could be largely explained by ecological variables only. The model is believed to facilitate various types of scientific interpretation as well as environmental risk assessment.

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Year:  2001        PMID: 11434281

Source DB:  PubMed          Journal:  Environ Toxicol Chem        ISSN: 0730-7268            Impact factor:   3.742


  14 in total

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2.  Bioremediation in marine ecosystems: a computational study combining ecological modeling and flux balance analysis.

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4.  Predicting concentrations of organic chemicals in fish by using toxicokinetic models.

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Journal:  Environ Sci Technol       Date:  2012-02-28       Impact factor: 9.028

5.  Workgroup report: review of fish bioaccumulation databases used to identify persistent, bioaccumulative, toxic substances.

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Journal:  Environ Health Perspect       Date:  2006-10-30       Impact factor: 9.031

6.  Fate and uptake of pharmaceuticals in soil-earthworm systems.

Authors:  Laura J Carter; Catherine D Garman; James Ryan; Adam Dowle; Ed Bergström; Jane Thomas-Oates; Alistair B A Boxall
Journal:  Environ Sci Technol       Date:  2014-05-02       Impact factor: 9.028

7.  The chemical exposure toxicity space (CETS) model: Displaying exposure time, aqueous and organic concentration, activity, and onset of toxicity.

Authors:  Donald Mackay; Alena K D Celsie; J Mark Parnis; Lynn S McCarty; Jon A Arnot; David E Powell
Journal:  Environ Toxicol Chem       Date:  2016-12-30       Impact factor: 3.742

8.  Prediction of bioconcentration factors in fish and invertebrates using machine learning.

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Journal:  Sci Total Environ       Date:  2018-08-10       Impact factor: 7.963

9.  Development and Validation of a Biodynamic Model for Mechanistically Predicting Metal Accumulation in Fish-Parasite Systems.

Authors:  T T Yen Le; Milen Nachev; Daniel Grabner; A Jan Hendriks; Bernd Sures
Journal:  PLoS One       Date:  2016-08-22       Impact factor: 3.240

10.  Importance of Toxicokinetics to Assess the Utility of Zebrafish Larvae as Model for Psychoactive Drug Screening Using Meta-Chlorophenylpiperazine (mCPP) as Example.

Authors:  Krishna Tulasi Kirla; Ksenia J Groh; Michael Poetzsch; Rakesh Kumar Banote; Julita Stadnicka-Michalak; Rik I L Eggen; Kristin Schirmer; Thomas Kraemer
Journal:  Front Pharmacol       Date:  2018-04-26       Impact factor: 5.810

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