Prediction of HC5s for phthalate esters by use of the QSAR-ICE model and ecological risk assessment in Chinese surface waters.
J Hazard Mater
; 467: 133642, 2024 04 05.
Article
in En
| MEDLINE
| ID: mdl-38330644
ABSTRACT
Due to their endocrine-disrupting effects and the risks posed in surface waters, in particular by chronic low-dose exposure to aquatic organisms, phthalate esters (PAEs) have received significant attention. However, most assessments of risks posed by PAEs were performed at a selection level, and thus limited by empirical data on toxic effects and potencies. A quantitative structure activity relationship (QSAR) and interspecies correlation estimation (ICE) model was constructed to estimate hazardous concentrations (HCs) of selected PAEs to aquatic organisms, then they were used to conduct a multiple-level environmental risk assessment for PAEs in surface waters of China. Values of hazardous concentration for 5% of species (HC5s), based on acute lethality, estimated by use of the QSAR-ICE model were within 1.25-fold of HC5 values derived from empirical data on toxic potency, indicating that the QSAR-ICE model predicts the toxicity of these three PAEs with sufficient accuracy. The five selected PAEs may be commonly measured in China surface waters at concentrations between ng/L and µg/L. Risk quotients according to median concentrations of the five PAEs ranged from 3.24 for di(2-ethylhexhyl) phthalate (DEHP) to 4.10 × 10-3 for dimethyl phthalate (DMP). DEHP and dibutyl phthalate (DBP) had risks to the most vulnerable aquatic biota, with the frequency of exceedances of the predicted no-effect concentration (PNECs) of 75.5% and 38.0%, respectively. DEHP and DBP were identified as having "high" or "moderate" risks. Results of the joint probability curves (JPC) method indicated DEHP posed "intermediate" risk to freshwater species with a maximum risk product of 5.98%. The multiple level system introduced in this study can be used to prioritize chemicals and other new pollutant in the aquatic ecological.
Key words
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Phthalic Acids
/
Water Pollutants, Chemical
/
Diethylhexyl Phthalate
Type of study:
Etiology_studies
/
Prognostic_studies
/
Risk_factors_studies
Country/Region as subject:
Asia
Language:
En
Journal:
J Hazard Mater
/
J. hazard. mater
/
Journal of hazardous materials
Journal subject:
SAUDE AMBIENTAL
Year:
2024
Document type:
Article
Affiliation country:
China
Country of publication:
Países Bajos