Identification of potentially mobile and persistent transformation products of REACH-registered chemicals and their occurrence in surface waters.

Transformation of industrial chemicals might be a significant source of hitherto unknown persistent and mobile organic contaminants (PMOC, PM chemicals) present in the aquatic environment. Herein we depicted a three-step strategy consisting of (I) the prioritization of potential PMOC precursors among REACH-registered chemicals, (II) their lab scale transformation through hydrolysis, photolysis, MnO2 oxidation, and biotransformation and subsequent structural elucidation of derived transformation products, and finally (III) the assessment of their environmental relevance. The proposed procedure was utilized to investigate eleven chemicals, for nine of which a concentration reduction was observed. For six of these chemicals transformation products were at least tentatively identified and partially confirmed with a commercially available reference standard. Retrospective assessment of high-performance liquid chromatography - high-resolution mass spectrometry data as well as a target screening method for the identified TPs and some of the prioritized REACH chemicals revealed the widespread presence of the following chemicals in the environment: 2-pyrrolidone (hydrolysis product of vinylpyrrolidone), TP 216 (4-hydroxy-2,2,6,6-tetramethylpiperidine-1-acetic acid, biotransformation product of 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-ethanol), and 1,3-diphenylguanidine (prioritized chemical with experimental evidence of environmental stability). 2-Pyrrolidone was detected in 23/25 investigated surface water samples and present in concentrations of up to 400 ng/L. TP 216 was detected in 20/25 surface water samples and an additional sampling of a waste water treatment plant and the receiving surface water confirmed that TP 216 is formed in waste water treatment plants. The vulcanisation agent 1,3-diphenylguanidine was present in all investigated samples. A leaching experiment with a tire suggested that tires and thus tire wear particles are a potential source of 1,3-diphenylguanidine. With these data the depicted approach was proven successful and suitable for true unknowns like TP 216, and thus an alternative to non-target screenings or suspect-screenings with predicted TPs to identify environmentally relevant transformation products.

Predicting of ultrafiltration performances by advanced data analysis.

In order to optimize drinking water production operation, membrane users can use several analytical tools that help membrane fouling prediction and alleviate fouling by a proper feed water resource selection. However, during strong fouling event, membrane decision-makers still face short-term deadline to decide between different options (e.g. optimization of pretreatment or change in feed water quality). Hence, statistical approach might help to better select the most relevant analytical parameter related to fouling potential of a specific resource in order to speed-up decision taking. In this study, the physical and chemical properties and the filtration performances (at lab-scale) of five ground water resources, selected as potential resources of a large drinking production site of Paris (France), was evaluated through one year. Principal component analysis emphasizes the strong link between waters' organic matrix and fouling propensity. Cluster analysis of filtration performances allowed classifying the water samples into three groups exhibiting strong, low and intermediate fouling. Finally, multiple linear regressions performed on all collected data indicated that strong fouling events were related to a combined increase of carbon content and protein like-substances while intermediate fouling might only be anticipated by an increase of fluorescence signal associated to protein like-substances. This study demonstrates that advanced data analysis might be a powerful tool to better manage water resources selection used for drinking water production and to forecast filtration performances in a context of water quality degradation.