A (bio)analytical platform to assess hazards of transformation products formed during water treatment

Advanced oxidation processes (AOPs) play an important role in degrading micropollutants like pharmaceuticals and pesticides present in water. However, during treatment, so-called transformation products (TPs) might be formed as micropollutants are not entirely mineralised. These TPs can have significantly different characteristics compared to their parent compound and, in some cases, might still be biologically active.

Technology

Depending on the micropollutant(s), matrix composition and treatment conditions, a broad range of TPs can be formed. However, many of these chemicals are unknown and are not included in conventional analytical techniques.

Challenge

There is a need to develop and implement a (bio)analytical platform capable of detecting and characterising TPs, assessing their potential toxicity, and linking their formation to AOP conditions and water characteristics.

Solution

We will combine advanced (bio)analytical techniques such as high-resolution mass spectrometry (HRMS) and effect-directed analysis (EDA) with computational methods such as in-silico prediction and machine learning models to create a comprehensive platform. Computational approaches will help us prioritise and identify relevant (i.e., potentially toxic) TPs. The platform will be implemented to assess TPs formation during AOP treatment and to establish operational risk zones based on treatment conditions, matrix, and micropollutant characteristics.