Journal
JOURNAL OF HAZARDOUS MATERIALS
Volume 449, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.jhazmat.2023.130981
Keywords
Non -target screening; Disinfection by-products; Bromide -rich waters; HRMS; Chemical ionization; Heatmap analysis; Toxicological evaluation
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The study developed a semi-automated workflow that combined data from target and non-target screening, toxicities, and calculated and measured risks to assess the overall potential chemical risk of therapeutic pools. It also demonstrated the use of complementary analytical techniques for better identification of novel disinfection by-products (DBPs) in future studies.
The discovery of new disinfection by-products (DBPs) is still a rarely investigated research area in past studies. In particular, compared to freshwater pools, therapeutic pools with their unique chemical composition have rarely been investigated for novel DBPs. Here we have developed a semi-automated workflow that combines data from target and non-target screening, calculated and measured toxicities into a heat map using hierarchical clustering to assess the pool's overall potential chemical risk. In addition, we used complementary analytical techniques such as positive and negative chemical ionization to demonstrate how novel DBPs can be better identified in future studies. We identified two representatives of the haloketones (pentachloroacetone, and pentabromoacetone) and tribromo furoic acid detected for the first time in swimming pools. Non-target screening combined with target analysis and toxicity assessment may help to define risk-based monitoring strategies in the future, as required by regulatory frameworks for swimming pool operations worldwide.
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