Effective PFAS degradation by electrochemical oxidation methods-recent progress and requirement
The presence of per-and poly-fluoroalkyl substances (PFASs) in water is of global concern
due to their high stability and toxicity even at very low concentrations. There are several …
due to their high stability and toxicity even at very low concentrations. There are several …
Tropospheric aqueous‐phase free‐radical chemistry: Radical sources, spectra, reaction kinetics and prediction tools
H Herrmann, D Hoffmann, T Schaefer… - …, 2010 - Wiley Online Library
The most important radicals which need to be considered for the description of chemical
conversion processes in tropospheric aqueous systems are the hydroxyl radical (OH), the …
conversion processes in tropospheric aqueous systems are the hydroxyl radical (OH), the …
Density functional theory calculations for insight into the heterocatalyst reactivity and mechanism in persulfate-based advanced oxidation reactions
Advanced oxidation processes (AOPs) based on persulfates such as peroxymonosulfate
and peroxydisulfate via heterogeneous catalysts have been a research hotspot due to their …
and peroxydisulfate via heterogeneous catalysts have been a research hotspot due to their …
Reducing the discharge of micropollutants in the aquatic environment: the benefits of upgrading wastewater treatment plants
Micropollutants (MPs) as individual compounds or in complex mixtures are relevant for water
quality and may trigger unwanted ecological effects. MPs originate from different point and …
quality and may trigger unwanted ecological effects. MPs originate from different point and …
Quantitative structure–activity relationship (QSAR) for the oxidation of trace organic contaminants by sulfate radical
The sulfate radical anion (SO4•–) based oxidation of trace organic contaminants (TrOCs)
has recently received great attention due to its high reactivity and low selectivity. In this …
has recently received great attention due to its high reactivity and low selectivity. In this …
“pySiRC”: Machine Learning Combined with Molecular Fingerprints to Predict the Reaction Rate Constant of the Radical-Based Oxidation Processes of Aqueous …
FO Sanches-Neto, JR Dias-Silva… - Environmental …, 2021 - ACS Publications
We developed a web application structured in a machine learning and molecular fingerprint
algorithm for the automatic calculation of the reaction rate constant of the oxidative …
algorithm for the automatic calculation of the reaction rate constant of the oxidative …
Magnetic visible-light activated photocatalyst CuFe2O4/Bi2WO6/mpg-C3N4 for the treatment of natural organic matter
Despite growing interest in research on visible-light-driven photocatalysts, reusable
photocatalysts have not been extensively developed for the treatment of natural organic …
photocatalysts have not been extensively developed for the treatment of natural organic …
Shedding light on “Black Box” machine learning models for predicting the reactivity of HO radicals toward organic compounds
Developing quantitative structure-activity relationships (QSARs) is an important approach to
predicting the reactivity of HO radicals toward newly emerged organic compounds. As …
predicting the reactivity of HO radicals toward newly emerged organic compounds. As …
A deep neural network combined with molecular fingerprints (DNN-MF) to develop predictive models for hydroxyl radical rate constants of water contaminants
This work combined a Deep Neural Network (DNN) with molecular fingerprints (MF) to
develop models to predict the OH radical dot radical rate constants of 593 organic …
develop models to predict the OH radical dot radical rate constants of 593 organic …
Using floating photocatalyst mpg-C3N4/expanded perlite to treat natural organic matter under visible light
In-situ application of powdered photocatalysts in water systems is particularly challenging
owing to intrinsic hurdles, such as submersion in water without stirring, limited light …
owing to intrinsic hurdles, such as submersion in water without stirring, limited light …