Hybrid quantum mechanical/molecular mechanical (QM/MM) methods are a powerful
computational tool for the investigation of all forms of catalysis, as they allow for an accurate …

In this study, a novel wastewater treatment process combining sequencing batch reactor,
constructed wetland and microalgal membrane photobioreactor (BCM process) was …

Optically active epoxides play important roles in pharmaceutical, agricultural and fine
chemical syntheses. There are many chiral medications with pharmacodynamic activity in …

Phenylurea herbicides (PUHs) present one of the most important herbicides, which have
cause serious effects on ecological environment and humans. Nowadays enzyme strategy …

Polycyclic aromatic hydrocarbons (PAHs) are major environmental organic pollutants. Some
metabolites of PAHs show greater toxicity to humans while the others do not. It is highly …

As a novel chiral neonicotinoid insecticide, Paichongding (IPP) has been widely applied in
agriculture due to its excellent insecticidal activity. However, the enantioselective …

Nitrated polycyclic aromatic hydrocarbons (nitro-PAHs) are persistent pollutants that have
been introduced into the environment as a result of human activities. They are produced …

Derivatives of polycyclic aromatic hydrocarbons (PAHs) pose significant threat to
environment and human health due to their widespread and potential hazards. However …

Predicting the metabolic activation mechanism and potential hazardous metabolites of
environmental endocrine-disruptors is a challenging and significant task in risk assessment …

Tebuconazole (TEB), a prominent chiral triazole fungicide, has been extensively utilized for
plant pathogen control globally. Despite experimental evidence of TEB metabolism in …