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Updated: Jun 8, 2026

A High-throughput Assay for the Prediction of Chemical Toxicity by Automated Phenotypic Profiling of Caenorhabditis elegans

A High-throughput Assay for the Prediction of Chemical Toxicity by Automated Phenotypic Profiling of Caenorhabditis elegans

Published on: March 14, 2019

Stage-resolved non-target reactomics and toxicity screening across a full-scale WWTP.

Xu Yan¹, MinXin Ji¹, JingYa Lou¹

¹State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210023, Jiangsu, China.

|June 6, 2026

Summary

This summary is machine-generated.

Wastewater treatment transforms organic contaminants, reducing molecular weight and increasing hydrophilicity. Biological treatment detoxifies pollutants, while chlorination can increase toxicity, impacting overall pollutant control.

Keywords:

Nontargeted analysis Paired mass distances Reaction Toxicity Wastewater treatment plant

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Area of Science:

Environmental Chemistry
Environmental Science
Analytical Chemistry

Background:

Understanding contaminant transformation in wastewater treatment plants (WWTPs) is crucial for effective pollutant control.
Limited stage-resolved data exists on how complex organic contaminant mixtures change throughout WWTP processes.

Purpose of the Study:

To characterize compositional changes, dominant transformation behaviors, and toxicity implications of organic contaminants across a full-scale anaerobic-anoxic-oxic (A/A/O) wastewater treatment process.
To provide a stage-resolved interpretation of contaminant transformation by linking chemical feature changes, structural redistribution, reaction signatures, and toxicity shifts.

Main Methods:

Integrated non-targeted screening, paired mass distance (PMD) reactomics, CANOPUS structural annotation, and MS2Tox toxicity prediction.
Wastewater sampling and analysis throughout a full-scale A/A/O treatment and disinfection process.

Main Results:

Chemical features shifted towards lower molecular weight and higher hydrophilicity across treatments.
Methylation and dehydrogenation/oxidation were dominant transformation types, with stage-specific reactions observed during disinfection.
Most compounds showed low predicted toxicity; biological treatment increased detoxification, while chlorination increased toxicity, often linked to alkylation/methylation.

Conclusions:

Wastewater treatment significantly alters organic contaminant composition and structure.
Pollutant transformation is characterized by small mass shifts and retention of structural categories.
Disinfection processes, particularly chlorination, warrant further investigation for potential toxicity increase.