Semi-automated process to build a suspect list with water contaminants and their transformation products

“Municipal wastewater is collected mainly from residential areas but involves industrial wastewater as well, containing a plethora of chemical compounds. The treatment of municipal wastewater is focused on the removal of organic material and microorganisms, while chemical substances are not fully eliminated. On top of that, the initial substances might undergo partial degradation to form so-called transformation products, about which very little is known. During this internship project (May 2023 – March 2024), a (semi-)automated workflow was developed for the prediction of transformation products. This work can be the base for the creation of other extensive lists of chemicals for suspect screening workflows, with access to different transformation product prediction models, and using other prioritization criteria, such as biodegradability and toxicity.”

(Angouraki, P. – Semi-automated process to build a suspect list with water contaminants and their transformation products – SR 2024.004 – More information: Nienke Meekel, Frederic Béen (Supervisors))