Assessing exposure to transformation products of soil-applied organic contaminants in surface water : comparison of model predictions and field data

Kern, Susanne; Singer, Heinz; Hollender, Juliane; Schwarzenbach, René P.; Fenner, Kathrin

doi:10.1021/es102537b

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
Title:	Assessing exposure to transformation products of soil-applied organic contaminants in surface water : comparison of model predictions and field data
Authors:	Kern, Susanne Singer, Heinz Hollender, Juliane Schwarzenbach, René P. Fenner, Kathrin
et. al:	No
DOI:	10.1021/es102537b
Published in:	Environmental Science & Technology
Volume(Issue):	45
Issue:	7
Page(s):	2833
Pages to:	2841
Issue Date:	1-Apr-2011
Publisher / Ed. Institution:	American Chemical Society
ISSN:	0013-936X 1520-5851
Language:	English
Subjects:	Environmental monitoring; Fresh water; Risk assessment; Soil pollutant; Water pollutant, chemical; Model, chemical
Subject (DDC):	363: Environmental and security problems 660: Chemical engineering
Abstract:	Transformation products (TPs) of chemicals released to soil, for example, pesticides, are regularly detected in surface and groundwater with some TPs even dominating observed pesticide levels. Given the large number of TPs potentially formed in the environment, straightforward prioritization methods based on available data and simple, evaluative models are required to identify TPs with a high aquatic exposure potential. While different such methods exist, none of them has so far been systematically evaluated against field data. Using a dynamic multimedia, multispecies model for TP prioritization, we compared the predicted relative surface water exposure potential of pesticides and their TPs with experimental data for 16 pesticides and 46 TPs measured in a small river draining a Swiss agricultural catchment. Twenty TPs were determined quantitatively using solid-phase extraction liquid chromatography mass spectrometry (SPE-LC-MS/MS), whereas the remaining 26 TPs could only be detected qualitatively because of the lack of analytical reference standards. Accordingly, the two sets of TPs were used for quantitative and qualitative model evaluation, respectively. Quantitative comparison of predicted with measured surface water exposure ratios for 20 pairs of TPs and parent pesticides indicated agreement within a factor of 10, except for chloridazon-desphenyl and chloridazon-methyl-desphenyl. The latter two TPs were found to be present in elevated concentrations during baseflow conditions and in groundwater samples across Switzerland, pointing toward high concentrations in exfiltrating groundwater. A simple leaching relationship was shown to qualitatively agree with the observed baseflow concentrations and to thus be useful in identifying TPs for which the simple prioritization model might underestimate actual surface water concentrations. Application of the model to the 26 qualitatively analyzed TPs showed that most of those TPs categorized as exhibiting a high aquatic exposure potential could be confirmed to be present in the majority of water samples investigated. On the basis of these results, we propose a generally applicable, model-based approach to identify those TPs of soil-applied organic contaminants that exhibit a high aquatic exposure potential to prioritize them for higher-tier, experimental investigations.
URI:	https://digitalcollection.zhaw.ch/handle/11475/24002
Fulltext version:	Published version
License (according to publishing contract):	Licence according to publishing contract
Departement:	Life Sciences and Facility Management
Organisational Unit:	Institute of Chemistry and Biotechnology (ICBT)
Appears in collections:	Publikationen Life Sciences und Facility Management

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Kern, S., Singer, H., Hollender, J., Schwarzenbach, R. P., & Fenner, K. (2011). Assessing exposure to transformation products of soil-applied organic contaminants in surface water : comparison of model predictions and field data. Environmental Science & Technology, 45(7), 2833–2841. https://doi.org/10.1021/es102537b

Kern, S. et al. (2011) ‘Assessing exposure to transformation products of soil-applied organic contaminants in surface water : comparison of model predictions and field data’, Environmental Science & Technology, 45(7), pp. 2833–2841. Available at: https://doi.org/10.1021/es102537b.

S. Kern, H. Singer, J. Hollender, R. P. Schwarzenbach, and K. Fenner, “Assessing exposure to transformation products of soil-applied organic contaminants in surface water : comparison of model predictions and field data,” Environmental Science & Technology, vol. 45, no. 7, pp. 2833–2841, Apr. 2011, doi: 10.1021/es102537b.

KERN, Susanne, Heinz SINGER, Juliane HOLLENDER, René P. SCHWARZENBACH und Kathrin FENNER, 2011. Assessing exposure to transformation products of soil-applied organic contaminants in surface water : comparison of model predictions and field data. Environmental Science & Technology. 1 April 2011. Bd. 45, Nr. 7, S. 2833–2841. DOI 10.1021/es102537b

Kern, Susanne, Heinz Singer, Juliane Hollender, René P. Schwarzenbach, and Kathrin Fenner. 2011. “Assessing Exposure to Transformation Products of Soil-Applied Organic Contaminants in Surface Water : Comparison of Model Predictions and Field Data.” Environmental Science & Technology 45 (7): 2833–41. https://doi.org/10.1021/es102537b.

Kern, Susanne, et al. “Assessing Exposure to Transformation Products of Soil-Applied Organic Contaminants in Surface Water : Comparison of Model Predictions and Field Data.” Environmental Science & Technology, vol. 45, no. 7, Apr. 2011, pp. 2833–41, https://doi.org/10.1021/es102537b.