Poster Presentation SETAC Asia-Pacific Virtual Conference 2022

Potential PBT screening from more than 1, 000 identified disinfection by-products (#211)

Nan Zhou 1 , Xianhai Yang 1 , Huihui Liu 1
  1. Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing City, JIANGSU PROVINCE, China

Abstract

Persistent, bioaccumulative, toxic substances or, very persistent and very bioaccumulative substances (PBTs/vPvBs) are considered as one group of the environmental priority pollutants by chemicals management authority in many countries and/or international organization1, 2. A key prerequisite for the successful control of these high priority substances is to kwon which substance is potential PBTs/vPvBs among the daily used artificial chemicals or unintentional production chemicals3. Thus, it is significant for us to screen and identify potential PBTs/vPvBs from those commercially used chemicals or unintentional production chemicals.

In this study, we attempted to screen and identify potential PBTs/vPvBs from disinfection by-products (DBPs), an important group of unintentional production chemicals. DBPs are secondary pollutants generated by the reaction of disinfectant with natural organic matter (NOM) or organic contaminant during the disinfection of drinking water, wastewater and other water systems4-6. However, current research has not definitely confirmed whether there is potential PBTs/vPvBs among identified DBPs.

Firstly, we performed an in-depth literature survey and extracted 1187 DBPs from those literatures. Then, 42 Quantitative structure activity relationship models (23 models in VEGA 1.1.5 (https://www.vegahub.eu/), 14 models in QSAR Toolbox 4.4.1 (https://qsartoolbox.org/), 4 models in ECOSAR 2.0 (https://www.epa.gov/tsca-screening-tools/ecological-structure-activity-relationships-ecosar-predictive-model) and one model in Toxicity Estimation Software Tool 5.1.1 (https://www.epa.gov/chemical-research/toxicity-estimation-software-tool-test) were used to make PBT assessment of these DBPs. Finally, 412 DBPs were identified as P, 12 DBPs as B and 12 DBPs as T. Three DBPs including tetrachloro-bisphenol A and two long chain nonhalogenated olefin compounds met the criteria of PBT.

Key word: PBT assessment, Disinfection by-products, QSAR models

 

ACKNOWLEDGMENTS

This research was funded by National Natural Science Foundation of China (No. 22176097).