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

Emergent thermophoretic behavior in chemical reaction systems

Paolo De Los Rios, Shiling Liang, Daniel Maria Busiello

Exposing a solution to a temperature gradient can lead to the accumulation of particles on either the cold or warm side. This phenomenon is known as thermophoresis, and its microscopic origin is still debated. Here, we show that thermophoresis can be obser ...

IOP Publishing Ltd2022

Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Dominique Bonvin, Diogo Filipe Mateus Rodrigues

For the investigation of complex reaction systems, it has been proposed to decouple the various rate processes using a linear time-invariant transformation that is constructed from knowledge of stoichiometry, reaction enthalpies, inlet compositions and tem ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Reactions of nitrogen-containing compounds with ozone: kinetics and mechanisms

Sung Eun Lim

Nitrogen-containing moieties are widespread in natural waters in dissolved organic nitrogen and micropollu-tants. They are often susceptible to an electrophilic attack of ozone because of the electron-rich nature of the neutral form of nitrogen in organic ...

EPFL2020

Non-equilibrium kinetics and trajectory thermodynamics of synthetic molecular pumps

Cristian Pezzato

A major goal in the design of synthetic molecular machines is the creation of pumps that can use the input of energy to transport material from a reservoir at low chemical potential to a different reservoir at higher chemical potential, thereby forming and ...

ROYAL SOC CHEMISTRY2020

Algorithms and flowchart for the design of synthetic biochemical networks

Homa Mohammadi Peyhani

New drugs are needed to assure effective therapies for previously untreated diseases, emerging diseases, and personalized medicine, but the process of drug development is complex, costly, and time-consuming. This is especially problematic considering that ...

EPFL2020

Enantioselective Carboetherification/Hydrogenation for the Synthesis of Amino Alcohols via a Catalytically Formed Chiral Auxiliary

Jérôme Waser, Phillip Gulliver Dominic Greenwood, Luca Buzzetti, Mikus Purins

Chiral auxiliaries and asymmetric catalysis are the workhorses of enantioselective transformations, but they still remain limited in terms of either efficiency or generality. Herein, we present an alternative strategy for controlling the stereoselectivity ...

2020

Getting the Right Grip? How Understanding Electrophile Selectivity Profiles Could Illuminate Our Understanding of Redox Signaling

Yimon Aye, Lingxi Wang

Recent Advances: Herein, we focus on the first step of this process, electrophile sensing. Electrophile sensing is typically a deceptively simple reaction between the thiol of a protein cysteine, of which there are around 200,000 in the human proteome, and ...

MARY ANN LIEBERT, INC2020

Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms

Peter Rudolf Tentscher, Urs von Gunten, Minju Lee

The abatement of organic micropollutants during oxidation processes has become an emerging issue for various urban water systems such as drinking water, wastewater, and water reuse. Reaction kinetics and mechanisms play an important role in terms of effici ...

AMER CHEMICAL SOC2019

Organocatalysts in C-N Bond Forming Reactions of Amines with CO2

Martin Hulla

The thesis describes a simple approach for N-formylation of amines with CO2 and hydrosilane reducing agents, the use of organic salts as N-formylation catalysts, their physical properties required for high catalytic activity and their role in the catalytic ...

EPFL2019

Real-Time Imaging and Quantification of Peptide Uptake in Vitro and in Vivo

Elena Goun, Hacer Karatas, Pier Luca D'Alessandro, Aleksey Yevtodiyenko, Tamara Maric

Peptides constitute an important class of drugs for the treatment of multiple metabolic, ontological, and neurodegenerative diseases, and several hundred novel therapeutic peptides are currently in the preclinical and clinical stages of development. Howeve ...

AMER CHEMICAL SOC2019

On decoupling rate processes in chemical reaction systems - Methods and applications

Michael Amrhein, Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

Models of chemical reaction systems can be complex as they need to include information regarding the reactions and the mass and heat transfers. The commonly used state variables, namely, concentrations and temperatures, express the interplay between many p ...

2018

Catalyst design for the transformation of CO2 into value-added products

Felix Daniel Bobbink

The mass-utilization of fossil resources has led to a dramatic increase in carbon dioxide (CO2) production, most of which is released directly into the Earth's atmosphere, resulting in global warming. Efforts to contain CO2 emissions and to capture, store ...

EPFL2018

Direct Synthesis of Selenium Nanowire Mesh on a Solid Substrate and Insights into Ultrafast Photocarrier Dynamics

Jacques-Edouard Moser, Fabien Sorin, Wei Yan, Andrés Burgos Caminal

Selenium (Se) nanowires have generated much interest both for the fundamental understanding of crystal formation and growth and for technological applications in optoelectronics, imaging, piezoelectricity, catalysis, and energy harvesting and storage. Seve ...

2018

Design of Surface-Supported Bio-inspired Networks for CO2 and O2 Activation at Room Temperature

Daniel Eduardo Hurtado Salinas

The structure of a biological system defines its function. Therefore, nature has developed sophisticated systems that catalyze chemical reactions that are vital for life on earth. For instance, the photosynthesis is a biological process that is partially r ...

EPFL2018

Generalized Incremental Model Identification for Chemical Reaction Systems

Dominique Bonvin, Julien Léo Billeter, Adrien Oulevey, Diogo Filipe Mateus Rodrigues

Identification of kinetic models and estimation of kinetic parameters in chemical reaction systems can be done using Incremental Model Identification (IMI). By using IMI, it is possible to separate the effect of the different reactions and thus investigate ...

2017

Constrained multi-rate state estimator incorporating delayed measurements

Michael Amrhein, Dominique Bonvin, Sriniketh Srinivasan

Frequent and accurate concentration estimates are important for the on-line control and optimization of chemical reaction systems. Such estimates can be obtained using state estimation methods that fuse frequent (fast) delay-free on-line measurements with ...

IEEE2017

On Decoupling Chemical Reaction Systems : Methods, Analysis and Applications

Sriniketh Srinivasan

Chemical reaction systems act as the basis to get the desired products from raw materials. An in-depth understanding of all the underlying rate processes is necessary for monitoring, control and optimization of chemical reaction systems. Traditional repres ...

EPFL2017

Concept and Applications of Extents in Chemical Reaction Systems

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

Models of chemical reaction systems can be quite complex as they typically include information regarding the reactions, the various transfers of heat and mass, as well as the effects of the inlet and outlet flows. It is well known that a linear transformat ...

2017

Geometric Integrators for Nonadiabatic Molecular Quantum Dynamics Induced by the Interaction with the Electromagnetic Field

Aurélien Kevin Fabrice Patoz

Understanding the elementary steps involved in a chemical reaction forms the cornerstone of physical chemistry research. One way to deepen this understanding is by studying chemical and physical processes using linear and nonlinear spectroscopic techniques ...

EPFL2017

Reaction extents: A Divide-and-Conquer Approach for Kinetic Model Identification

Dominique Bonvin, Julien Léo Billeter

Obtaining reliable wastewater treatment process models is critical for the application of model-based design, operation, and automation. For example, Masic et al. (2014) explored the use of an observer designed for nonlinear processes to estimate nitrite i ...

2017