Publications associées à Reaction progress kinetic analysis

Synthesis of Fluorescent Cyclic Peptides via Gold(I)-Catalyzed Macrocyclization

Jérôme Waser, Aleksandra Radenovic, Beat Fierz, Nathan Cyprien Arsène Ronceray, Wei Cai, Xingyu Liu

Rapid and efficient cyclization methods that form structurally novel peptidic macrocycles are of high importance for medicinal chemistry. Herein, we report the first gold(I)-catalyzed macrocyclization of peptide-EBXs (ethynylbenziodoxolones) via C2-Trp C–H ...

2023

Asymmetric Synthesis of Enantioenriched Zigzag-Type Molecular Belts by Kinetic Resolution and Subsequent Transformations

Jieping Zhu, Shuo Tong

Asymmetric synthesis of enantioenriched zigzag-type molecular belts featuring copper/H8-binaphthol-catalyzed kinetic resolution of a resorcinarene derivative and subsequent transformations was developed. The acquired rigid and C4-symmetric belt exhibited r ...

2023

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

Sara Bonella, Fabio Pietrucci, 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

Kinetic Network Modeling of the Catalytic Upgrading of Biomass's Acetate Fraction to Aromatics

Jeremy Luterbacher, Jher Hau Yeap, Bartosz Rozmyslowicz, Ahmed Mohamed Ibrahim Elkhaiary

The acetate fraction is the fourth most abundant fraction by weight in many plant species and can be easily extracted as acetic acid in high yields. We have previously shown that acetic acid obtained from steam pretreated beech wood could be upgraded in a ...

Amer Chemical Soc2023

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

Pierre Gönczy, Niccolo Banterle

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

Observed Kinetics of Enterovirus Inactivation by Free Chlorine Are Host Cell-Dependent

Tamar Kohn, Shannon Christa David, Shotaro Torii, Odile Marie Clotilde Hervás de Nalda-Larivé, Federica Cariti

Virucidal efficacies of disinfectants are typically assessed by infectivity assay utilizing a single type of host cell. Enteroviruses infect multiple host cells via various entry routes, and each entry route may be impaired differently by a given disinfect ...

2023

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

César Pulgarin, Stefanos Giannakis, Ling Feng

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

Mechanistic modelling of solar disinfection (SODIS) kinetics of Escherichia coli, enhanced with H2O2 - part 1: The dark side of peroxide

César Pulgarin, Stefanos Giannakis, Ling Feng

The present bi-partite work describes the development and validation of a mechanistic kinetic model of SODIS E. coli inactivation, enhanced with H2O2. In this first part, the mechanism of the baseline dark phenomena is modelled. A mechanistic model involvi ...

ELSEVIER SCIENCE SA2022

Assessing the value of kinetic results from biochemical methane potential tests: Reproducibility from a large inter-laboratory study

Christof Holliger

Kinetic information extracted from biochemical methane potential (BMP) tests is often reported but its value is unclear. Inter-laboratory reproducibility provides a useful indication of its value. Here we extracted estimates of the first-order rate constan ...

2022

Imaging of Chemical Kinetics at the Water–Water Interface in a Free-Flowing Liquid Flat-Jet

Andreas Osterwalder, Bruno Credidio

We present chemical kinetics measurements of the luminol oxidation chemiluminescence (CL) reaction at the interface between two aqueous solutions, using liquid jet technology. Free-flowing liquid microjets are a relatively recent development that have foun ...

2022

In depth analysis of heterogeneous catalysts for the chemoenzymatic dynamic kinetic resolution of beta-amino esters

Kumar Varoon Agrawal, Cédric Karel J Van Goethem

The chemoenzymatic dynamic kinetic resolution of beta-amino esters is established after detailed evaluation of metal-based heterogeneous catalysts for racemization and enzyme catalysts for kinetic resolution. Several heterogeneous palladium catalysts prove ...

ROYAL SOC CHEMISTRY2022

Improved Cell-Free Transcription-Translation Reactions in Microfluidic Chemostats Augmented with Hydrogel Membranes for Continuous Small Molecule Dialysis

Sebastian Maerkl, Laura Sophie Grasemann, Barbora Lavickova

Increasing the protein production capacity of the PURE cell-free transcription-translation (TX-TL) system will be key to implementing complex synthetic biological circuits, and to establishing a fully self-regenerating system as a basis for the development ...

AMER CHEMICAL SOC2022

Oxidation of organic micropollutant surrogate functional groups with peracetic acid activated by aqueous Co(II), Cu(II), or Ag(I) and geopolymer-supported Co(II)

Urs von Gunten

Peracetic acid (PAA) in combination with transition metals has recently gained increasing attention for organic micropollutant abatement. In this study, aqueous Co(II), Cu(II), and Ag(I) were compared for their capacity to activate PAA. Co(II) outperformed ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Analytics at the nanometer and nanosecond scales by short electron pulses in an electron microscope

Thomas La Grange

Chemical reactions and phase transformations in nanometer-size objects may happen at very short timescales, so conventional characterization tools are not applicable. A new technique combining high spatial and temporal resolution is ultrafast (or dynamic) ...

SPRINGER2022

Emission reduction by targeted transient operations in three-way catalysts for heavy-duty natural gas applications

Moyu Wang

To curb the severe effects of climate change, our society needs to radically reduce its CO2 footprint. For the heavy-duty sector, where electrification is difficult, alternative fuels can be the solution. Methane-fueled engines have lower energy-specific C ...

EPFL2022

Hydrogen production on demand by redox-mediated electrocatalysis: A kinetic study

Hubert Girault, Sunny Isaïe Maye, Danick Reynard

Producing hydrogen from water using a redox mediator on solid electrocatalyst particles in a reactor offers several advantages over classical electrolysis in terms of safety, membrane degradation, purity and flexibility. Herein, vanadium-mediated hydrogen ...

ELSEVIER SCIENCE SA2021

Dissipation-driven selection of states in non-equilibrium chemical networks

Paolo De Los Rios, Shiling Liang, Francesco Piazza, Daniel Maria Busiello

Life has most likely originated as a consequence of processes taking place in non-equilibrium conditions (e.g. in the proximity of deep-sea thermal vents) selecting states of matter that would have been otherwise unfavorable at equilibrium. Here we present ...

2021

Intermolecular Pd(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes and Other Investigations into the Enantioselective Activation of Challenging C(sp3)-H Bonds

Qui-Hien Nguyen

The direct construction of stereogenic axes by enantioselective C-H arylation has been regarded as a very challenging transformation. Very few examples have been reported, despite the indisputable straight-forwardness of the methodology. This is due to the ...

EPFL2021

Micropollutants as internal probe compounds to assess UV fluence and hydroxyl radical exposure in UV/H 2 O 2 treatment

Urs von Gunten, Silvio Canonica, Fabienne Eugster, Robin Wünsch, Thomas Wintgens

Organic micropollutants (MPs) are increasingly detected in water resources, which can be a concern for human health and the aquatic environment. Ultraviolet (UV) radiation based advanced oxidation processes (AOP) such as low-pressure mercury vapor arc lamp ...

PERGAMON-ELSEVIER SCIENCE LTD2021