Making Waves: monitoring pollution pathways in river water by predictive path modelling using untargeted GC-MS measurements

A comprehensive approach to protect river water quality is needed within the European Water Framework Directive. Non-target screening of a complete chemical fingerprint of the aquatic ecosystem is essential to identify chemicals of emerging concern, to reveal dynamic patterns of suspect river water pollution. Dedicated data processing of ongoing GC-MS measurements at 9 sites along the Rhine using PARADISe, combined with spatiotemporal modelling of these sites with Process PLS, provided a new approach to track chemicals through the Rhine catchment, and tentatively identify known and unknown potential pollutants based on non-target screening.