Machine Learning Models for Predicting Bioavailability of Traditional and Emerging Aromatic Contaminants in Plant Roots DOI Creative Commons

Siyuan Li,

Yuting Shen, Meng Gao

et al.

Toxics, Journal Year: 2024, Volume and Issue: 12(10), P. 737 - 737

Published: Oct. 12, 2024

To predict the behavior of aromatic contaminants (ACs) in complex soil-plant systems, this study developed machine learning (ML) models to estimate root concentration factor (RCF) both traditional (e.g., polycyclic hydrocarbons, polychlorinated biphenyls) and emerging ACs phthalate acid esters, aryl organophosphate esters). Four ML algorithms were employed, trained on a unified RCF dataset comprising 878 data points, covering 6 features cultivation systems 98 molecular descriptors 55 chemicals, including 29 ACs. The gradient-boosted regression tree (GBRT) model demonstrated strong predictive performance, with coefficient determination (R

Language: Английский

Organophosphate Ester Contamination in Long-Term Plasticulture Soils: Co-occurrence of Tri/Di-OPEs, Influence Factors, Source Attribution, and Environmental Risks DOI Creative Commons

Yangyang Liu,

Yao Ren,

Haishan Dang

et al.

Emerging contaminants, Journal Year: 2025, Volume and Issue: unknown, P. 100487 - 100487

Published: March 1, 2025

Language: Английский

Citations

1
Bringing Organophosphate Ester Tris(2,4-di-tert-butylphenyl) Phosphate to the Forefront: A Hidden Threat to the Environment DOI
J. Chen,

Chunzhao Chen,

Jianmin Chen

et al.

Environmental Science & Technology Letters, Journal Year: 2024, Volume and Issue: 11(9), P. 920 - 930

Published: Aug. 13, 2024

Tris(2,4-di-tert-butylphenyl) phosphite (AO168) is a widely utilized organophosphite antioxidant in the field of plastics. Throughout production and usage processes, AO168 can undergo oxidation convert into tris(2,4-di-tert-butylphenyl) phosphate (AO168═O), which has been identified as one novel organophosphate esters (OPEs). AO168═O now extensively present environment, with concentrations generally exceeding those traditional OPEs such triphenyl tri(2-chloroisopropyl) phosphate. Consequently, emerged significant concern that receiving attention from scientific community. However, there exists some controversy regarding formation mechanisms potential risks AO168═O. This Review provides comprehensive overview for first time environmental occurrence, pathways, toxicities, linked to AO168═O, aiming assist researchers policymakers obtaining an unbiased description its impacts on both environment human health. Given numerous unresolved aspects surrounding along wide greater should be devoted this emerging contaminant.

Language: Английский

Citations

5
Key Genes and Microbial Ecological Clusters Involved in Organophosphate Ester Degradation in Agricultural Fields of a Typical Watershed in Southwest China DOI

Yu Cheng,

Xuehao Zheng, Yukun Jiang

et al.

Journal of Hazardous Materials, Journal Year: 2025, Volume and Issue: 492, P. 138076 - 138076

Published: April 6, 2025

Language: Английский

Citations

0
Affecting factors and health risks of organophosphate esters in urban soil and surface dust in a typical river valley city based on local bivariate Moran's I and Monte-Carlo simulation DOI
Qian Zhang, Lijun Wang

Journal of Hazardous Materials, Journal Year: 2024, Volume and Issue: 481, P. 136534 - 136534

Published: Nov. 16, 2024

Language: Английский

Citations

1
Organophosphate Esters in Raw Cow Milk and Cow’s Drinking Water and Feed from China: Occurrence, Regional Distribution, and Dietary Exposure Assessment DOI
Yu Tang, Pingping Zhou, Xiaodan Wang

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(33), P. 18434 - 18444

Published: Aug. 6, 2024

Organophosphate esters (OPEs) have been widely produced and used, while little is known about their occurrence in the food chain potential sources. In this study, raw cow milk, drinking water, feed were collected from pastures across China, OPEs tested to explore transmission of further assess daily OPE intakes for cows humans via certain consumption. The median level ∑OPEs (sum 15 OPEs) milk was 2140 pg/mL, tris(1-chloro-2-propyl) phosphate (TCIPP) most abundant OPE. Levels water lower than those except triethyl (TEP), levels significantly higher (adjusted by dry weight). estimated dietary intake 2530 ng/kg bw/day, which much that (742 bw/day), indicating a more critical exposure source. For liquid consumers, high-exposure (95th) (EDIs) ∑

Language: Английский

Citations

1
Machine Learning Models for Predicting Bioavailability of Traditional and Emerging Aromatic Contaminants in Plant Roots DOI Creative Commons

Siyuan Li,

Yuting Shen, Meng Gao

et al.

Toxics, Journal Year: 2024, Volume and Issue: 12(10), P. 737 - 737

Published: Oct. 12, 2024

To predict the behavior of aromatic contaminants (ACs) in complex soil-plant systems, this study developed machine learning (ML) models to estimate root concentration factor (RCF) both traditional (e.g., polycyclic hydrocarbons, polychlorinated biphenyls) and emerging ACs phthalate acid esters, aryl organophosphate esters). Four ML algorithms were employed, trained on a unified RCF dataset comprising 878 data points, covering 6 features cultivation systems 98 molecular descriptors 55 chemicals, including 29 ACs. The gradient-boosted regression tree (GBRT) model demonstrated strong predictive performance, with coefficient determination (R

Language: Английский

Citations

0