Concept

Solvolysis

Related publications (9)

Development of remote C-H bond functionalization of redox-active alcohol derivatives and oxidative transformations under photoredox catalysis

The development of radical-based remote C(sp3)-H functionalizations of redox-active alcohol derivatives, oxidative cycloaddition and rearrangement transformations under visible light photocatalysis constitute the basis of this thesis.The first chapter desc ...

EPFL2021

Biotransformation Capacity of Zebrafish (Danio rerio) Early Life Stages: Functionality of the Mercapturic Acid Pathway

Kristin Schirmer, Alena Tierbach

Zebrafish (Danio rerio) early life stages offer a versatile model system to study the efficacy and safety of drugs or other chemicals with regard to human and environmental health. This is because, aside from the well-characterized genome of zebrafish and ...

OXFORD UNIV PRESS2020

Swelling-Induced Chain Stretching Enhances Hydrolytic Degrafting of Hydrophobic Polymer Brushes in Organic Media

Jian Wang, Harm-Anton Klok

Hydrophilic polymer brushes grown via surface‐initiated polymerization from silicon oxide surfaces can detach or degraft in aqueous media. Degrafting of these chain end‐tethered polymers is believed to involve hydrolysis of bonds at the polymer–substrate i ...

2019

Averaged Solvent Embedding Potential Parameters for Multiscale Modeling of Molecular Properties

We derive and validate averaged solvent parameters for embedding potentials to be used in polarizable embedding quantum mechanics/molecular mechanics (QM/MM) molecular property calculations of solutes in organic solvents. The parameters are solvent-specifi ...

Amer Chemical Soc2016

Role of Environment for Catalysis of the DNA Repair Enzyme MutY

Ursula Röthlisberger, Jeremy Samuel Arey, Elizabeth Claire Brunk

Control of the N-glycosylase reaction by the DNA repair enzyme, MutY, entails the organization of solvent molecules. Classical molecular dynamics and QM/MM simulations were used to investigate the solvent and environment effects contributing to catalysis. ...

2012

Molecular Electrocatalysis for Oxygen Reduction by Cobalt Porphyrins Adsorbed at Liquid/Liquid Interfaces

Hubert Girault, Pierre-Alain Carrupt, Bin Su, Imren Hatay, Zdenek Samec

Molecular electrocatalysis for oxygen reduction at a polarized water/1,2-dichloroethane (DCE) interface was studied, involving aqueous protons, ferrocene (Fc) in DCE and amphiphilic cobalt porphyrin catalysts adsorbed at the interface. The catalyst, (2,8,1 ...

2010

Binding of Organometallic Ruthenium(II) Anticancer Compounds to Nucleobases: A Computational Study

Ursula Röthlisberger, Ivano Tavernelli, Christian Gossens

The reaction of the anticancer compound (eta(6)-benzene)Ru(en)(OH2) (1) toward the nucleobases guanine, adenine, and cytosine is studied computationally using DFT/BP86 calculations. The aqua leaving group of such compounds is known to undergo ligand ...

2009

Proton shuttles and phosphatase activity in soluble epoxide hydrolase

Matteo Dal Peraro

Recently, a novel metal Mg2+-dependent phosphatase activity has been discovered in the N-terminal domain of the soluble epoxide hydrolase (sEH), opening a new branch of fatty acid metabolism and providing an additional site for drug targeting. Importantly, ...

2007

Transesterification of phenylalanine by means of chymotrypsin in a continuous fixed bed reactor

Albert Renken

An enzymic transesterification was carried out in a continuously operated fixed bed reactor. The reaction system consisted of immobilized a-chymotrypsin catalyzing the transfer of the L-phenylalanine radical from the racemic Pr ester to 1,4-butanediol, yie ...

1991

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