2022
DOI: 10.1021/acs.est.1c08014
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Non-target Analysis and Chemometric Evaluation of a Passive Sampler Monitoring of Small Streams

Abstract: 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 b… Show more

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Cited by 18 publications
(17 citation statements)
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“…3). Until now, suspect screening and nontarget analysis have been applied to chemometer extracts exposed to abiotic compartments, mainly to water for less hydrophobic compounds, [119][120][121] but not yet to biota.…”
Section: Chemical Patterns Across Multimedia Compartmentsmentioning
confidence: 99%
“…3). Until now, suspect screening and nontarget analysis have been applied to chemometer extracts exposed to abiotic compartments, mainly to water for less hydrophobic compounds, [119][120][121] but not yet to biota.…”
Section: Chemical Patterns Across Multimedia Compartmentsmentioning
confidence: 99%
“…Seasonal variation of nontargeted chemical composition in small rivers was also reported in previous research. 57,59 While the NMS analysis provides little mechanistic information, it highlights that the bulk chemical composition in waters is dynamic. As a result, periodic (e.g., quarterly) water quality sampling may not be sufficient to identify the mechanisms driving particular water quality phenomena.…”
Section: Spatiotemporal Variation In Nontarget Chemicalmentioning
confidence: 99%
“…En este sentido, la evaluación de la presencia de contaminantes y en especial de microcontaminantes orgánicos (emergentes) es muy importante, pues su flujo pequeño los hace más sensibles a una carga determinada de impurezas. En este sentido, una buena estrategia de monitoreo y de análisis multivariable de sus resultados resulta valiosa (Hohrenk-Danzouma et al, 2022). Aunque no son precisamente microcontaminantes orgánicos, pero sí contaminantes emergentes, la extensión de la contaminación por microplásticos es relevante por ejemplo o ftalatos, especialmente en las corrientes pequeñas urbanas (Rimondi et al, 2022).…”
Section: Funciones Ecológicas De Las Corrientes De Agua Pequeñasunclassified