Publication

The not so identical twins: (dis)similarities between reactive electrophile and oxidant sensing and signaling

Publications associées (29)

Water Oxidation Kinetics of Accumulated Holes on the Surface of a TiO2 Photoanode: A Rate Law Analysis

It has been more than 40 years since Fujishima and Honda demonstrated water splitting using TiO2, yet there is still no clear mechanism by which surface holes on TiO2 oxidize water. In this paper, we use a range of complementary techniques to study this re ...

Amer Chemical Soc2017

Acetylene Oligomerization over Pd Nanoparticles with Controlled Shape: A Parahydrogen-Induced Polarization Study

Lioubov Kiwi, Rocio Micaela Crespo Quesada

Substantial signal enhancements achieved by using parahydrogen in catalytic hydrogenations are powerful tools for mechanistic studies of chemical reactions involving molecular H-2. Potentially, this technique can be extended to other reaction classes, prov ...

American Chemical Society2016

On the use of shape constraints for state estimation in reaction systems

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

State estimation techniques are used for improving the quality of measured signals and for reconstructing unmeasured quantities. In chemical reaction systems, nonlinear estimators are often used to improve the quality of estimated concentrations. These non ...

Elsevier Science Bv2016

Organocatalysis: Fundamentals and Comparisons to Metal and Enzyme Catalysis

Pierre Vogel

Catalysis fulfills the promise that high-yielding chemical transformations will require little energy and produce no toxic waste. This message is carried by the study of the evolution of molecular catalysis of some of the most important reactions in organi ...

2016

Advances in predicting organic contaminant abatement during ozonation of municipal wastewater effluent: reaction kinetics, transformation products, and changes of biological effects

Urs von Gunten, Yun Ho Lee

Ozonation of municipal wastewater effluent has been considered in recent years as an enhanced wastewater treatment technology to abate trace organic contaminants (micropollutants). The efficiency of ozonation for micropollutant abatement depends on (1) the ...

Royal Soc Chemistry2016

ALS Scheme using Extent-based Constraints for the Analysis of Chemical Reaction Systems

Michael Amrhein, Dominique Bonvin, Julien Léo Billeter

Multivariate curve resolution via alternating least squares (ALS) is used to resolve the concentration profiles C and the pure component spectra E of S species from the multivariate absorbance data A, assuming the bilinear model ...

2016

Variant and Invariant States for Chemical Reaction Systems

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan, Diogo Filipe Mateus Rodrigues

Models of open non-isothermal heterogeneous reaction systems can be quite complex as they include information regarding the reactions, the inlet and outlet flows, the transfer of species between phases and the transfer of energy. This paper builds on the c ...

Elsevier2015

Data Reconciliation in Reaction Systems using the Concept of Extents

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Abstract of the conference paper Concentrations measured during the course of a chemical reaction are corrupted with noise, which reduces the quality of information. Since these measurements are used for identifying kinetic models, the noise imp ...

Elsevier2015

Data Reconciliation in Open Reaction Systems using the Concept of Extents

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Kinetic models of chemical reaction systems are typically represented in terms of state variables, such as concentrations, temperature and partial pressures [1]. These state variables in turn depend on the underlying reactions, transfer phenomena, and tran ...

2015