Local control of S atoms on the Co-SACs for effective activation of PMS and degradation imidacloprid: Mechanism insights and toxicity evaluation
Year: 2025
Type: article
Abstract: -abstract at the H6 sites had the lowest Gibbs free barrier with 6.64 kcal/mol and 6.22 kcal/mol, respectively. Hydroxylation products were readily formed. Route 3 and 7 were the formation pathways of important experimental intermediates (PC3-4). Eco-toxicity assessment showed that most degradation products were completely harmless to aquatic toxicity. PC1-2, PC1-2, PC3-1, PC3-3, PC4-1 and PC4-2 showed similar and higher mutagenicity and bioaccumulation factors to the IMI. Therefore, Route 1, 3 and 4 contributed to the potential health risks. This study not only elucidated the atomic level relationship between PMS and Co-SACs, but also contributed to understanding the detailed degradation mechanism of IMI and the ecotoxicity of TPs. The finding provides theoretical support for environmental impacts of pesticide wastewater during advanced oxidation treatments.
Language: English
Subfield: Water Science and Technology
Field: Environmental Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,650
Awards: 大气环境中HONO多相生成与反应机理的理论研究, G8915487238
OpenAlex ID: W4406279767
