Chemometric and high-resolution mass spectrometry tools for the characterization and comparison of raw and treated wastewater samples of a pilot plant on the SIPIBEL site

Abstract

Due to its key role in the contamination of natural resources, the assessment of raw and treated wastewater effluents is a current major concern and urges comprehensive analytical methods capable of selectively capturing the chemodiversity of these samples. In this context, the overall objective of this work can be summarized as (i) the assessment of the performance of secondary and tertiary (advanced oxidation) wastewater treatments through multivariate analysis followed by (ii) the comprehensive characterization of wastewater samples based on their spectral fingerprints and a combination of suspect and non-target screening approaches. Several compounds, belonging to different sources of contamination were annotated and/or partially identified: pharmaceuticals, metabolites and transformation compounds, human activity markers, surfactants, and polyethoxy compounds. These results highlight the contribution of filtering and screening tools such as monoisotopic exact mass, mass defect, MS/MS data-dependent acquisitions, isotopic pattern and retention time to the selection, and the identification of environmental contaminants and their metabolites/degradation products. This paper completes the target study conducted in the SIPIBEL site and offers an alternative for the assessment of treatment processes by broadening the spectrum to a larger number of compounds and the correlations between them.

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Acknowledgements

This research is financially supported by the French Ministry of Economy, Industry, and Digital within the framework of the Project TRIUMPH (TReatIng Urban Micropollutants and Pharmaceuticals in wastewaters) labeled and managed by the European Eureka Cluster ACQUEAU and pilot by Suez (Degremont). The experimental pilot program is hosted into the SIPIBEL (field observatory on hospital’s effluents and urban wastewater treatment plants). A French program supported by Rhone-Mediterranean Corsica water agency, The Rhône Alpes Region and others partners.

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Correspondence to Emmanuelle Vulliet.

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Responsible editor: Philippe Garrigues

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Kiss, A., Bergé, A., Domenjoud, B. et al. Chemometric and high-resolution mass spectrometry tools for the characterization and comparison of raw and treated wastewater samples of a pilot plant on the SIPIBEL site. Environ Sci Pollut Res 25, 9230–9242 (2018). https://doi.org/10.1007/s11356-017-0748-x

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Keywords

  • High-resolution mass spectrometry
  • Wastewaters
  • Comprehensive analysis
  • Ozonation