Bulletin of environmental contamination and toxicology
Jan 19, 2026
Per- and polyfluoroalkyl substances (PFAS) are environmentally persistent pollutants, posing challenges for effective remediation. This study presented a machine learning (ML) framework to predict the first-order reaction rate constant (k) of PFAS de...
Environmental monitoring and assessment
Jan 13, 2026
In groundwater contamination source inversion, concentration data from monitoring wells serve as the most crucial known information, directly affecting the inversion accuracy of unknown contamination source parameters. However, existing studies often...
Journal of chemical information and modeling
Dec 19, 2025
Electrochemical carbon dioxide reduction (CORR) using electrocatalysts has gained attention for its potential to convert atmospheric CO into value-added chemicals. Recently, machine learning (ML) has emerged as a promising approach for catalyst devel...
Hybrid modeling based on physics-based deep learning (PBDL) represents a transformative approach that unifies mechanistic understanding and data-driven learning, offering a pathway beyond the limitations of traditional chromatographic models. This re...
Reliable prediction of drug solubility in supercritical carbon dioxide (scCO₂) is crucial for the efficient design of pharmaceutical processes, including particle engineering and supercritical fluid-based extraction. Given that experimental determina...
Environmental monitoring and assessment
Oct 15, 2025
Nickel (Ni(II)) complexes, especially those formed with strong ligands such as ethylenediaminetetraacetic acid (EDTA), are difficult to quantify due to their low environmental concentrations and weak ultraviolet (UV) absorbance. These characteristics...
Environmental science. Processes & impacts
Oct 15, 2025
Antibiotics, as emerging contaminants, are increasingly detected in aquatic environments, raising significant concerns about their ecological risks. However, the lack of hydrolysis rate constants () and aqueous hydroxyl radical degradation rate const...
Environmental monitoring and assessment
Oct 14, 2025
With the rapid development of industrialization in China, significant economic benefits have been accompanied by varying degrees of threat to the soil environment, particularly from heavy metal pollution. The rapid quantitative inversion of heavy met...
Environmental monitoring and assessment
Sep 2, 2025
The operation of wastewater treatment plants (WWTPs) is frequently characterized by complexity, largely attributable to the properties of the influent and the nonlinear fluctuations that occur throughout the wastewater treatment process. Accurate mod...
The unique structures and complex characteristics of Metal-organic frame (MOFs) obscure understanding the processes and mechanisms of heavy metal (HM) removal. This study established an interpretable machine learning (ML) framework predicting adsorpt...
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