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Environmental Pollutants

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Machine Learning-Assisted Surface-Enhanced Raman Spectroscopy Detection for Environmental Applications: A Review.

Environmental science & technology
Surface-enhanced Raman spectroscopy (SERS) has gained significant attention for its ability to detect environmental contaminants with high sensitivity and specificity. The cost-effectiveness and potential portability of the technique further enhance ...

Predicting the risk of cardiovascular disease in adults exposed to heavy metals: Interpretable machine learning.

Ecotoxicology and environmental safety
Machine learning exhibits excellent performance in terms of predictive power. We aimed to construct an interpretable machine learning model utilizing National Health and Nutrition Examination Survey data to investigate the relationship between heavy ...

Endocrine disruptor identification and multitoxicity level assessment of organic chemicals: An example of multiple machine learning models.

Journal of hazardous materials
Endocrine-disrupting chemicals (EDCs) pollution is a major global environmental issue. Assessing the multiple toxic effects of EDCs is key to managing their risks. This study successfully developed an EDCs classification and recognition model based o...

ChemNTP: Advanced Prediction of Neurotoxicity Targets for Environmental Chemicals Using a Siamese Neural Network.

Environmental science & technology
Environmental chemicals can enter the human body through various exposure pathways, potentially leading to neurotoxic effects that pose significant health risks. Many such chemicals have been identified as neurotoxic, but the molecular mechanisms und...

Effective analysis of thyroid toxicity and mechanisms of acetyltributyl citrate using network toxicology, molecular docking, and machine learning strategies.

Toxicology
The growing prevalence of environmental pollutants has raised concerns about their potential role in thyroid dysfunction and related disorders. Previous research suggests that various chemicals, including plasticizers like acetyl tributyl citrate (AT...

Untargeted metabolomics and machine learning unveil the exposome and metabolism linked with the risk of early pregnancy loss.

Journal of hazardous materials
Early pregnancy loss (EPL) may result from exposure to emerging contaminants (ECs), although the underlying mechanisms remain poorly understood. This case-control study measured over 2000 serum features, including 37 ECs, 6 biochemicals, and 2057 end...

Exposure experiments and machine learning revealed that personal care products can significantly increase transdermal exposure of SVOCs from the environment.

Journal of hazardous materials
We investigated the impacts of personal care products (PCPs) on dermal exposure to semi-volatile organic compounds (SVOCs), including phthalates, organophosphate esters, polycyclic aromatic hydrocarbons (PAHs), ultraviolet filters, and p-phenylenedia...

Prediction of p-phenylenediamine antioxidant concentrations in human urine using machine learning models.

Journal of hazardous materials
p-phenylenediamine antioxidants (PPDs) are extensively used in rubber manufacturing for their potent antioxidative properties, but PPDs and 2-anilino-5-[(4-methylpentan-2yl)amino]cyclohexa-2,5-diene-1,4-dione (6PPDQ) pose potential environmental and ...

Advancing micro-nano supramolecular assembly mechanisms of natural organic matter by machine learning for unveiling environmental geochemical processes.

Environmental science. Processes & impacts
The nano-self-assembly of natural organic matter (NOM) profoundly influences the occurrence and fate of NOM and pollutants in large-scale complex environments. Machine learning (ML) offers a promising and robust tool for interpreting and predicting t...

Screening of estrogen receptor activity of per- and polyfluoroalkyl substances based on deep learning and in vivo assessment.

Environmental pollution (Barking, Essex : 1987)
Over the past decades, exposure to per- and polyfluoroalkyl substances (PFAS), a group of synthetic chemicals notorious for their environmental persistence, has been shown to pose increased health risks. Despite that some PFAS were reported to have e...