Conlecs: A novel procedure for deriving the concentration limits of chemicals outside the criteria of human drinking water using existing criteria and species sensitivity distribution based on quantitative structure-activity relationship prediction

Bing-Qing Lu; Shu-Shen Liu; Ze-Jun Wang; Ya-Qian Xu

doi:10.1016/j.jhazmat.2019.121380

Conlecs: A novel procedure for deriving the concentration limits of chemicals outside the criteria of human drinking water using existing criteria and species sensitivity distribution based on quantitative structure-activity relationship prediction

J Hazard Mater. 2020 Feb 15:384:121380. doi: 10.1016/j.jhazmat.2019.121380. Epub 2019 Oct 5.

Authors

Bing-Qing Lu¹, Shu-Shen Liu², Ze-Jun Wang³, Ya-Qian Xu³

Affiliations

¹ State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, PR China.
² State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, PR China; Key Laboratory of Yangtze River Water Environment, Ministry of Education, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, PR China; Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200092, PR China. Electronic address: ssliuhl@263.net.
³ State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, PR China; Key Laboratory of Yangtze River Water Environment, Ministry of Education, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, PR China.

PMID: 31614281
DOI: 10.1016/j.jhazmat.2019.121380

Abstract

Water quality criteria (WQC) for an increasing number of emerging chemicals need to be developed to protect human health and biological safety. Existing species sensitivity distribution (SSD) methods can only be used to help establish WQC for ecological protection, and cannot be extended to the protection of human beings from various hazards. In this study, a novel procedure called Conlecs is proposed to derive the concentration limits (ConLs) of pesticides outside the criteria for human drinking water (CHDW) using the existing criteria of pesticides and SSD integrated with the toxicity prediction achieved through robust QSAR models. Optimal SSD models of four pesticides (within the CHDW) and two pesticides (outside the CHDW) on 12 species were first constructed, and the existing ConLs of four pesticides within the CHDW were then utilized to select the most suitable species for the optimal proportions to avoid human hazards (PHH), allowing the ConLs of two pesticides outside the CHDW to be derived.

Keywords: Dragon software; Pesticide; Quantitative structure-activity relationship; VIPLS; VSMP.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Animals
Aquatic Organisms / classification
Aquatic Organisms / drug effects*
Dose-Response Relationship, Drug
Drinking Water / chemistry
Drinking Water / standards*
Environmental Monitoring / methods*
Pesticides / analysis*
Pesticides / chemistry
Pesticides / toxicity
Quantitative Structure-Activity Relationship
Species Specificity
Water Pollutants, Chemical / analysis*
Water Pollutants, Chemical / chemistry
Water Pollutants, Chemical / toxicity
Water Quality / standards*

Substances

Drinking Water
Pesticides
Water Pollutants, Chemical