Complex multivariate datasets are generated in environmental non-target screening (NTS) studies covering different sampling locations and times. This study presents a comprehensive chemometrics-based data processing workflow to reveal hidden data patterns and to find a subset of discriminating features between samples. We used ANOVA-simultaneous component analysis (ASCA) to disentangle the influence of spatial and seasonal effects as well as their interaction on a multiclass dataset. The dataset was obtained by a Chemcatcher passive sampler (PS) monitoring campaign of three small streams and one major river over four sampling periods from spring to summer. Monitoring of small streams is important as they are impacted by non-point source introduction of organic micropollutants (OMPs). The use of a PS provides a higher representativeness of sampling, and NTS broadens the range of detectable OMPs. A comparison of ASCA results of target analysis and NTS showed for both datasets a dominant influence of different sampling locations and individual temporal pollution patterns for each river. With the limited set of target analytes, general seasonal pollution patterns were apparent, but NTS data provide a more holistic view on sitespecific pollutant loads. The similarity of temporal pollution patterns of two geographically close small streams was revealed, which was not observed in undecomposed data analysis like principal component analysis (PCA). With a complementary partial least squares-discriminant analysis (PLS-DA) and Volcano-based prioritization strategy, 223 site-and 45 season-specific features were selected and tentatively identified.

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Background Stone wool is an inorganic mineral insulation material increasingly used to reduce the climate impact of buildings. The acute and chronic ecotoxicological potential of stone wool eluates have been studied in a battery of standardized laboratory ecotoxicological tests. The experiments were conducted with stone wool test materials in fibrous and milled form, with and without the presence of organic binder. For the preparation of eluates, the OECD protocol on the transformation/dissolution of metals and metal compounds was applied. The resulting eluates were used in acute tests, i.e., bioluminescence test with Aliivibrio fischeri (DIN EN ISO 11348-1:2009), algae growth test with Desmodesmus subspicatus (OECD No. 201) and immobilization test with Daphnia magna (OECD No. 202), as well as chronic tests, i.e., the Daphnia magna reproduction test (OECD No. 211) and the nematode growth and reproduction test with Caenorhabditis elegans (ISO 10872:2010). Results While no acute or chronic ecotoxicological effects of the eluates were observed for fibrous stone wool material, the milled test materials showed some chronic effects on aquatic invertebrates. Depending on the test materials and concentrations of milled stone wool used in the eluate preparation, these chronic effects included significant stimulation or inhibition of daphnid reproduction and nematode growth. The chemical analysis conducted in parallel to the ecotoxicological assessment indicated no leaching of organic substances from the applied binder or mineral oils and no formation of nanoparticles by the milling of stone wool. Furthermore, ICP-MS and ICP-OES analysis of eighteen elements revealed that only aluminum and nickel could be quantified in the eluates, at concentrations of approximately 750 µg/L and 7 µg/L, respectively. Conclusions Based on the present ecotoxicological assessment, eluates from stone wool fibers cannot be considered as chemically hazardous to the aquatic environment. However, additional investigations of the ecotoxicological potential of the milled material and the environmental exposure of stone wool products are necessary for a complete evaluation of potentially negative effects of stone wool insulation materials.