Thanks to the Erasmus+ programme (project No. 2026-1-CZ01-KA131-HED-000422192), Roman and Kateřina Grabic from the Laboratory of Environmental Chemistry and Biochemistry visited Umeå University in Sweden for a week of specialised training. The visit focused on using the open-source software packages MZmine and SIRIUS to process and interpret liquid chromatography–mass spectrometry (LC–MS) data obtained through non-targeted analysis. In collaboration with Dr Christine Gallampois, they applied the acquired knowledge to their own data collected using data-independent acquisition (DIA). The practical outcome was an initial assessment of this workflow's applicability to their datasets, linking data processing and candidate compound identification via in silico predictions of chemical structure and toxicity. The training strengthened their expertise in non-targeted analysis and provided a basis for further development of workflows to identify and assess emerging contaminants in aquatic environments.
Author: Kateřina Grabicová
