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Article

Taking Kinetic Evaluations of Degradation Data to the Next Level with Nonlinear Mixed-Effects Models

1
Scientific Consultant, 79639 Grenzach-Wyhlen, Germany
2
German Environment Agency (UBA), 06844 Dessau-Roßlau, Germany
3
INSERM, IAME, Université de Paris, 75018 Paris, France
4
INSERM, Université de Rennes 1, CIC 1414, 35700 Rennes, France
*
Author to whom correspondence should be addressed.
Current address: Kronacher Str. 12, 79639 Grenzach-Wyhlen, Germany.
Academic Editor: Zacharias Frontistis
Received: 29 April 2021 / Revised: 12 July 2021 / Accepted: 23 July 2021 / Published: 28 July 2021
When data on the degradation of a chemical substance have been collected in a number of environmental media (e.g., in different soils), two strategies can be followed for data evaluation. Currently, each individual dataset is evaluated separately, and representative degradation parameters are obtained by calculating averages of the kinetic parameters. However, such averages often take on unrealistic values if certain degradation parameters are ill-defined in some of the datasets. Moreover, the most appropriate degradation model is selected for each individual dataset, which is time consuming and then requires workarounds for averaging parameters from different models. Therefore, a simultaneous evaluation of all available data is desirable. If the environmental media are viewed as random samples from a population, an advanced strategy based on assumptions about the statistical distribution of the kinetic parameters across the population can be used. Here, we show the advantages of such simultaneous evaluations based on nonlinear mixed-effects models that incorporate such assumptions in the evaluation process. The advantages of this approach are demonstrated using synthetically generated data with known statistical properties and using publicly available experimental degradation data on two pesticidal active substances. View Full-Text
Keywords: kinetic evaluation; chemical degradation; nonlinear mixed-effects models kinetic evaluation; chemical degradation; nonlinear mixed-effects models
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MDPI and ACS Style

Ranke, J.; Wöltjen, J.; Schmidt, J.; Comets, E. Taking Kinetic Evaluations of Degradation Data to the Next Level with Nonlinear Mixed-Effects Models. Environments 2021, 8, 71. https://0-doi-org.brum.beds.ac.uk/10.3390/environments8080071

AMA Style

Ranke J, Wöltjen J, Schmidt J, Comets E. Taking Kinetic Evaluations of Degradation Data to the Next Level with Nonlinear Mixed-Effects Models. Environments. 2021; 8(8):71. https://0-doi-org.brum.beds.ac.uk/10.3390/environments8080071

Chicago/Turabian Style

Ranke, Johannes, Janina Wöltjen, Jana Schmidt, and Emmanuelle Comets. 2021. "Taking Kinetic Evaluations of Degradation Data to the Next Level with Nonlinear Mixed-Effects Models" Environments 8, no. 8: 71. https://0-doi-org.brum.beds.ac.uk/10.3390/environments8080071

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