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Influence of aerosol acidity and organic ligands on transition metal solubility and oxidative potential of fine particulate matter in urban environments

Athanasios Nenes, Gerhard Lammel

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 ...

Elsevier2023

Modeling non-covalent interactions in condensed phase

Veronika Juraskova

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 ...

EPFL2022

Identifying the mediators of intracellular E. coli inactivation under UVA light: The (photo) Fenton process and singlet oxygen

César Pulgarin, Stefanos Giannakis

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 ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Mechanistic modelling of solar disinfection (SODIS) kinetics of Escherichia coli, enhanced with H2O2 - Part 2: Shine on you, crazy peroxide

César Pulgarin, Stefanos Giannakis

In this second part of the development of a mechanistic kinetic model of the solar inactivation of E. coli enhanced with hydrogen peroxide, we evaluate the mechanisms based on photonic inactivation and integrate them into the kinetic model of the dark proc ...

ELSEVIER SCIENCE SA2022

Spectroscopy and dynamics at liquid water interfaces

Bruno Credidio

This thesis is a detailed description of three experimental investigations on aqueous interfaces. All projects made use of the microjet technology or the more recently developed flat-jet technique which enables the implementation of liquid water in vacuum ...

EPFL2022

Permanganate Reduction by Hydrogen Peroxide: Formation of Reactive Manganese Species and Superoxide and Enhanced Micropollutant Abatement

Urs von Gunten

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 ...

AMER CHEMICAL SOC2021

Enhanced Treatment of Municipal Wastewater Effluents by Fe-TAML/H2O2: Efficiency of Micropollutant Abatement

Urs von Gunten

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 ...

AMER CHEMICAL SOC2021

Kinetics of the reaction between hydrogen peroxide and aqueous iodine: Implications for technical and natural aquatic systems

Urs von Gunten, Jaedon Shin

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 ...

2020

Kinetic and mechanistic aspects of selenite oxidation by chlorine, bromine, monochloramine, ozone, permanganate, and hydrogen peroxide

Urs von Gunten

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 ...

2019

Gold and silver bio/nano-hybrids-based electrochemical immunosensor for ultrasensitive detection of carcinoembryonic antigen

Sandro Carrara, Sattar Akbari Nakhjavani

Carcinoembryonic antigen (CEA) is an important oncomarker for the detection of breast cancer. For ultra-sensitive sensing of CEA with great specificity and accuracy, an innovative and reliable electrochemical immunosensor was developed using various nano-h ...

2019

A Tale of Two Treatments: The Multiple Barrier Approach to Removing Chemical Contaminants During Potable Water Reuse

Urs von Gunten

In response to water scarcity and an increased recognition of the risks associated with the presence of chemical contaminants, environmental engineers have developed advanced water treatment systems that are capable of converting municipal wastewater efflu ...

American Chemical Society2019

Parameters affecting thermal risk through a kinetic model under adiabatic condition: Application to liquid-liquid reaction system

Thierry Meyer

Risk of thermal runaway for epoxidation is not negligible and should be analyzed and assessed. In industry, epoxidation of vegetable oils is carried out by the oxidation of Prileschajew, involving the in situ production of percarboxylic acid from hydrogen ...

2018

Reactions of Ferrate(VI) with Iodide and Hypoiodous Acid: Kinetics, Pathways, and Implications for the Fate of Iodine during Water Treatment

Urs von Gunten, Jaedon Shin

Oxidative treatment of iodide-containing waters can form toxic iodinated disinfection byproducts (I-DBPs). To better understand the fate of iodine, kinetics, products, and stoichiometries for the reactions of ferrate(VI) with iodide (I-) and hypoiodous aci ...

2018

Study of a photocatalytic process for removal of antibiotics from wastewater in a falling film photoreactor: Scavenger study and process intensification feasibility

Sami Rtimi

This study focused on the removal of antibiotic by coupling of heterogeneous photocatalysis with ozonation and hydrogen peroxide. The main objective was to intensify the efficiency of photocatalytic activity for better and faster antibiotic elimination/min ...

Elsevier2017

Photocatalytic performance of TiO2 impregnated polyester for the degradation of Reactive Green 12: Implications of the surface pretreatment and the microstructure

Sami Rtimi

In the present work, we investigate the degradation of recalcitrant industrial textile dye (Reactive green 12) in aqueous solution by TiO2 impregnated polyester at room temperature. The TiO2 loading on polyester was optimized using different polyester pret ...

Elsevier2017

Stereoselective synthesis of alkenes via base-metal-catalyzed addition reactions to alkynes and activation of hydrogen peroxide and carbon dioxide by iron complexes

Fedor Zhurkin

Alkene functionality can be found in the majority of natural products, drugs, catalysts and organic materials. Therefore, methods of C-C double bond formation constitute a cornerstone of organic synthesis. Selective formation of either (Z)- or (E)-isomer i ...

EPFL2017

Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

Berend Smit, Kathryn Suzanne Deeg

The Materials Genome is in action: the molecular codes for millions of materials have been sequenced, predictive models have been developed, and now the challenge of hydrogen storage is targeted. Renewably generated hydrogen is an attractive transportation ...

2017

Heterogeneous versus homogeneous electron transfer reactions at liquid–liquid interfaces: The wrong question?

Hubert Girault, Pekka Eero Peljo, Evgeny Smirnov

Functionalization of a soft or liquid-liquid interface by a one gold nanoparticle thick “nanofilm” provides a conductive pathway to facilitate interfacial electron transfer from a lipophilic electron donor to a hydrophilic electron acceptor in a process kn ...

Elsevier Science Sa2016

Gold Nanofilm Redox Catalysis for Oxygen Reduction at Soft Interfaces

Hubert Girault, Pekka Eero Peljo, Micheal Diarmaid Scanlon, Evgeny Smirnov

Elsevier2016

H2O2 generation at carbon paste electrode with decamethylferrocene solution in 2-nitrophenyloctyl ether as a binder. The catalytic effect of MoS2 particles

Hubert Girault

Here, we report hydrogen peroxide generation at 2-nitrophenyloctyl ether (NPOE)-water interface with decamethylferrocene as an electron donor. The progress of this reaction was detected by the observation of color change of the organic and aqueous phases i ...

Wiley-V C H Verlag Gmbh2016