Predicting formation of haloacetic acids by chlorination of organic compounds using machine-learning-assisted quantitative structure-activity relationships.

The presence of disinfection byproducts (DBPs) in drinking water is a major public health concern, and an effective strategy to limit the formation of these DBPs is to prevent their precursors. In silico prediction from chemical structure would allow rapid identification of precursors and could be used as a prescreening tool to prioritize testing. We present models using machine learning algorithms (i.

Effect of coexisting manganese ion on the formation of haloacetic acids during chlorination.

Haloacetic acids (HAAs) are a group of disinfection by-products formed by the reaction of dissolved organic matter (DOM) in source water and disinfectants in the drinking water treatment process. The formation of HAAs is known to be affected by several factors (e.g.

Effect of biodegradation on haloacetic acid formation potentials of anthropogenic compounds during chlorination.

During drinking water treatment processes, anthropogenic compounds act as important precursors of disinfection by-products such as haloacetic acids (HAAs). Several transformations in these precursors occur prior to the disinfection stage, such as partial biodegradation. We hypothesized that this partial biodegradation of anthropogenic compounds potentially affects their HAA formation potentials (HAAFPs).

Formation of chlorinated haloacetic acids by chlorination of low molecular weight compounds listed on pollutant release and transfer registers (PRTRs).

Anthropogenic compounds accidentally released to the environment could be important precursors of disinfection byproducts (DBPs) in drinking water treatment processes. In this study, the haloacetic acid formation potentials (HAAFPs) of 155 anthropogenic compounds listed on the Japanese pollutant release and transfer register (PRTR) system were evaluated. The results showed that phenolic and aromatic amine compounds were important HAA precursors, and chlorinated phenols showed high HAAFPs (>400 μg/mgC).