Publications associées à A method for the reliable and reproducible precipitation of phase pure high Ca/Si ratio (>1.5) synthetic calcium silicate hydrates (C-S-H)

Grand canonical Brownian dynamics simulations of adsorption and self-assembly of SAS-6 rings on a surface

The Spindle Assembly Abnormal Protein 6 (SAS-6) forms dimers, which then self-assemble into rings that are critical for the nine-fold symmetry of the centriole organelle. It has recently been shown experimentally that the self-assembly of SAS-6 rings is st ...

AIP Publishing2023

Optimal enzyme utilization suggests that concentrations and thermodynamics determine binding mechanisms and enzyme saturations

Vassily Hatzimanikatis, Daniel Robert Weilandt, Asli Sahin

One of the main challenges hampering the development of kinetic models is the lack of kinetic parameters for many enzymatic reactions. Here, the authors introduce a framework to explore the catalytically optimal operating conditions of any complex enzyme m ...

Nature Portfolio2023

Efficient AC electrothermal flow (ACET) on-chip for enhanced immunoassays

Martinus Gijs, Diego Gabriel Dupouy, Muaz Salama Abdelmonem Draz

Biochemical reaction rates in microfluidic systems are known to be limited by the diffusional transport of reagents, leading often to lowered sensitivity and/or longer detection times in immunoassays. Several methods, including electrically powering electr ...

ROYAL SOC CHEMISTRY2023

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Fabio Pietrucci, Sara Bonella, David Daniel Girardier

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Aip Publishing2023

The effect of alkali hydroxides and equilibration time on Al uptake by calcium silicate hydrates (C-S-H)

Sonya Barzgar

Cement production accounts for approximately 8% of man-made CO2 emissions. Lowering these CO2 emissions is currently one of the most important and urgent research topics within the cement community. To reduce these emissions, the Portland cement (PC) is pa ...

EPFL2021

Atomistic dynamics of elimination and nucleophilic substitution disentangled for the F- + CH3CH2Cl reaction

Eduardo Carrascosa Casado

Chemical reaction dynamics are studied to monitor and understand the concerted motion of several atoms while they rearrange from reactants to products. When the number of atoms involved increases, the number of pathways, transition states and product chann ...

NATURE PORTFOLIO2021

Iron incorporation in synthetic precipitated calcium silicate hydrates

Paul Bowen, Jirawan Siramanont, David Lyndon Emsley, Brennan James Walder

Effect of Fe3+ on the precipitation of synthetic calcium silicate hydrates (C-S-H) under controlled conditions has been evaluated. Using extremely basic either initial calcium nitrate or sodium silicate solutions (pH > 11), incipient formation of ferrihydr ...

Pergamon-Elsevier Science Ltd2021

Factors influencing the sulfate balance in pure phase C3S/C(3)A systems

Karen Scrivener, Franco Alberto Zunino Sommariva

Understanding the sulfate balance mechanism of cement is needed for an effective use of sustainable blended cements. Pure phase systems allow to study the interaction between sulfate and each of the phases involved in early age hydration separately. This p ...

Pergamon-Elsevier Science Ltd2020

Motility-Induced Microphase and Macrophase Separation in a Two-Dimensional Active Brownian Particle System

Pasquale Digregorio

As a result of nonequilibrium forces, purely repulsive self-propelled particles undergo macrophase separation between a dense and a dilute phase. We present a thorough study of the ordering kinetics of such motility-induced phase separation (MIPS) in activ ...

2020

Thermodynamics and kinetics of protonated merocyanine photoacids in water

Kay Severin, Rosario Scopelliti, Euro Solari, Cristian Pezzato, Farzaneh Fadaei Tirani, Stefano Zamuner, Cesare Berton, Daniel Maria Busiello

Metastable-state photoacids (mPAHs) are chemical species whose photo-activated state is long-lived enough to allow for proton diffusion. Liao's photoacid (1) represents the archetype of mPAHs, and is being widely used on account of its unique capability to ...

2020

The acidity of atmospheric particles and clouds

Tao Wang, Athanasios Nenes

Acidity, defined as pH, is a central component of aqueous chemistry. In the atmosphere, the acidity of condensed phases (aerosol particles, cloud water, and fog droplets) governs the phase partitioning of semivolatile gases such as HNO3, NH3, HCl, and orga ...

Copernicus Publications2020

Oxygen evolution reaction catalyzed by first-row transition metal oxides: stability and mechanism

Aliki Moysiadou

Water splitting offers the opportunity for storing solar energy and, thus, producing carbon-neutral and renewable solar fuels. The process, known as artificial photosynthesis, is limited by the electrocatalytic conversion of water into molecular oxygen. El ...

EPFL2020

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

Reactivity of Bioinspired Magnesium-Organic Networks under CO2 and O-2 Exposure

Klaus Kern, Magalí Alejandra Lingenfelder, Bart Willem Stel, Fernando Pablo Cometto, Daniel Eduardo Hurtado Salinas

Photosynthesis is the model system for energy conversion. It uses CO2 as a starting reactant to convert solar energy into chemical energy, i.e., organic molecules or biomass. The first and rate-determining step of this cycle is the immobilization and activ ...

2019

Mechanism and Kinetics of Propane Dehydrogenation and Cracking over Ga/H-MFI Prepared via Vapor-Phase Exchange of H-MFI with GaCI3

Matthieu Bondil

In this study, the mechanism and kinetics of C3H8 dehydrogenation and cracking are examined over Ga/H-MFI catalysts prepared via vapor-phase exchange of H-MFI with GaCl3. The present study demonstrates that GaH cations are the active centers for C3H8 ...

2019

Two dimensional diffusion-controlled triplet–triplet annihilation kinetics

Pierre-François Marie Brevet, Hubert Girault, Astrid Johana Olaya Avendano, Grégoire Clément Gschwend, Morgan Kazmierczak

Diffusion controlled chemical reactions are usually observed in three dimensionalmedia. In contrast, planar bimolecular reactions taking place between reagents adsorbed at a soft interface are two-dimensional and therefore cannot be studied within the same ...

2019

Control Theory Concepts for Modeling Uncertainty in Enzyme Kinetics of Biochemical Networks

Ljubisa Miskovic, Vassily Hatzimanikatis, Georgios Savoglidis, Milenko Tokic

Analysis of the dynamic and steady-state properties of biochemical networks hinges on information about the parameters of enzyme kinetics. The lack of experimental data characterizing enzyme activities and kinetics along with the associated uncertainties i ...

2019

Kinetic Competition between Water-Splitting and Photocorrosion Reactions in Photoelectrochemical Devices

Sophia Haussener, Fredy Intelligent Nandjou Dongmeza

Semiconductor photocorrosion is a major challenge for the stability of photoelectrochemical water-splitting devices. Usually, photocorrosion is studied on the basis of thermodynamic aspects, by comparing the redox potentials of water to the self-decomposit ...

2019

Sequential model identification of reaction systems-The missing path between the incremental and simultaneous approaches

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Modeling chemical reaction systems is an important but complex task. The identified kinetic model must be able to explain all the underlying rate processes such as chemical reactions and heat and mass transfers. Traditionally, the modeling task is carried ...

2019

Tuning the Incorporation of Magnesium into Calcite during Its Crystallization from Additive-Free Aqueous Solution

Camelia Borca, Huachuan Du, Esther Amstad

Under ambient conditions, marine organisms are able to synthesize a variety of functional materials, ranging from eye lenses to protective shells through the meticulous control over magnesium incorporation into calcite during its crystallization. The mecha ...

AMER CHEMICAL SOC2019