A5031646470- Effects and risks of endocrine disrupting chemicals
- Computational Drug Discovery Methods
- Pharmaceutical and Antibiotic Environmental Impacts
- Toxic Organic Pollutants Impact
- Environmental Toxicology and Ecotoxicology
- Environmental Chemistry and Analysis
- Water Treatment and Disinfection
- Free Radicals and Antioxidants
- Chemistry and Chemical Engineering
- Microplastics and Plastic Pollution
- Analytical Chemistry and Chromatography
- Reproductive biology and impacts on aquatic species
- Marine Biology and Environmental Chemistry
- Pesticide and Herbicide Environmental Studies
- Advanced oxidation water treatment
- Electrochemical Analysis and Applications
- Water Quality Monitoring and Analysis
- Hormonal and reproductive studies
- Pesticide Residue Analysis and Safety
- Chemical Analysis and Environmental Impact
- Molecular Sensors and Ion Detection
- Atmospheric chemistry and aerosols
- Biotin and Related Studies
- Per- and polyfluoroalkyl substances research
- Estrogen and related hormone effects
Nanjing University of Science and Technology
2006-2025
Ministry of Industry and Information Technology
2019-2025
State Key Laboratory of Pollution Control and Resource Reuse
2018-2024
Nanjing Institute of Industry Technology
2019-2020
Dalian University of Technology
2009-2019
Ministry of Ecology and Environment
2016-2019
Nanjing Institute of Environmental Sciences
2016-2018
Dalian University
2017
Short chain chlorinated paraffins (SCCPs) are under evaluation for inclusion in the Stockholm Convention on persistent organic pollutants. However, information their reaction rate constants with gaseous ·OH (kOH) is unavailable, limiting of persistence atmosphere. Experimental determination kOH confined by unavailability authentic chemical standards some SCCP congeners. In this study, we evaluated and selected density functional theory (DFT) methods to predict SCCPs, comparing experimental...
Reaction with hydroxyl radicals (˙OH) is an important removal pathway for organic pollutants in the aquatic environment. The aqueous reaction rate constant (kOH) therefore parameter fate assessment of pollutants. Since experimental determination fails to meet requirement being able efficiently handle numerous chemicals at limited cost and within a relatively short period time, silico methods such as quantitative structure-activity relationship (QSAR) models are needed predict kOH. In this...
Phenolic disinfection byproducts (phenolic-DBPs) have been identified in recent years. However, the toxicity data for phenolic-DBPs are scarce, hampering their risk assessment and development of regulations on acceptable concentration water. In this study, binding potency underlying interaction mechanism between human transthyretin (hTTR) five groups representative (2,4,6-trihalo-phenols, 2,6-dihalo-4-nitrophenols, 3,5-dihalo-4-hydroxybenzaldehydes, 3,5-dihalo-4-hydroxybenzoic acids,...
Abstract BACKGROUND: Coking wastewater is generated from coal coking, gas purification, and by‐product recovery processes. Increased interest being focused on finding more sustainably effective energy‐efficient methods for treating this wastewater. In work, a system termed microbial fuel cell‐electro‐oxidation (MFC‐EO) was developed simultaneous coking treatment bioelectricity generation. RESULTS: Raw first treated using MFCs. Power production, removal of total chemical oxygen demand (TCOD)...
The molecular structures of many endocrine-disrupting chemicals (EDCs) contain groups that ionize under physiological pH conditions. It is unclear whether the neutral and ionic forms have different binding mechanisms with macromolecular targets. We selected phenolic compounds human transthyretin (hTTR) as a model system employed docking quantum mechanics/molecular mechanics optimizations to probe mechanisms. patterns ionizable ligands in hTTR crystal were also analyzed. found anionic bind...
Both the acute toxicity and chronic data on aquatic organisms are indispensable parameters in ecological risk assessment priority chemical screening process (e.g. persistent, bioaccumulative toxic chemicals). However, most of present modelling actions focused developing predictive models for chemicals to organisms. As regards toxicity, considerable work is needed. The major objective study was construct silico predicting Daphnia magna Pseudokirchneriella subcapitata. In modelling, a set...
Liquid crystal monomers (LCMs) have emerged as a new class of contaminants, yet their health risks remain unclear due to limited toxicity data. This study assessed 46 structurally diverse LCMs using primary mouse hepatocytes, revealing significant cytotoxicity in 22 compounds, particularly 3OCB, tFMeO-3cHtFT, 2OdF3B, 2O2cHdFB, and 2CB. To predict across thousands reported LCMs, classification models quantitative structure-activity relationship (QSAR) were developed. For five optimal models,...
<title>Abstract</title> In the task of surface defect detection for ceramic materials, identifying minute defects has always posed a challenge due to difficulty balancing accuracy with computational cost. To address this issue, paper proposes an enhanced algorithm based on RT-DETR, named RECS-DETR (RDNet-EA Attention-CARAFE-SCFF-RTDETR). First, lightweight RD feature extraction network is innovatively designed replace backbone and Efficient Additive Attention introduced substitute...