The adverse health effects of air pollution around the world have been associated with the inhalation of fine particulate matter (PM2.5). Such outcomes are thought to be related to the induction of oxidative stress due to the excess formation of reactive o ...
Exposing a molecule to an intense light pulse can create a nonstationary quantum state, thus launching correlated dynamics of electrons and nuclei. Although much had been achieved in the understanding of fundamental physics behind the electron-nuclear inte ...
The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...
We report on the C K-edge x-ray absorption spectra and the resonant (RXES) and non-resonant (NXES) x-ray emission spectra of ethylene, allene and butadiene in the gas phase. The RXES and NXES show clear differences for the different molecules. Overall both ...
Permanganate (MnO4-, Mn(VII)) is widely applied at the initial stage of water treatment to, e.g., abate taste and odor compounds, Mn(II) and Fe(II). However, its selectivity limits its application for micropollutant abatement. Hydrogen peroxide (H2O2), whi ...
Combining iron with a tetraamido-macrocyclic ligand (Fe-TAML) as a catalyst and with hydrogen peroxide (H2O2) as the bulk oxidant is a process that has been suggested for the oxidative abatement of micropollutants during water treatment. In this study, the ...
Oxidative treatment of iodide-containing waters can lead to a formation of potentially toxic iodinated disinfection byproducts (I-DBPs). Iodide (I-) is easily oxidized to HOI by various oxidation processes and its reaction with dissolved organic matter (DO ...
Selenium (mainly in the forms of selenite (Se(IV)) and selenate (Se(VI)) is a regulated drinking water contaminant, but there is little information on the kinetics and mechanisms of Se(IV) oxidation during water treatment. Species-specific and apparent sec ...
Aliphatic alkynes and nitriles are privileged motifs in organic chemistry. Therefore, alkynes and nitriles have played a central role for the exploration and development of novel strategies to forge C-C bonds in efficient manner. They are broadly used as v ...
Solar disinfection (SODIS) was probed for its underlying mechanism. When Escherichia coli was exposed to UVA irradiation, the dominant solar fraction acting in SODIS process, cells exhibited a shoulder before death ensued. This profile resembles cell killi ...
