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Chemist

Related publications (14)

Toward data-driven materials design: From atoms to pilot plants

Kevin Maik Jablonka

Discovering new materials is essential but challenging, time-consuming, and expensive. In many cases, simulations can be useful for estimating material properties. For many of the most interesting properties, however, simulations are infeasible because of ...

EPFL2023

Photochemical Alkynylations with Hypervalent Iodine Reagents

Stephanie Grace Elizabeth Amos

Over the past twenty years, photochemical transformations have gained in importance in organic chemistry. Indeed, the development of photocatalysts has allowed the use of visible light as an energy source for chemical transformations. More specifically, ph ...

EPFL2022

Moire Flat Bands in Twisted Double Bilayer Graphene

Oleg Yazyev, Quansheng Wu, Seyedeh Fatemeh Haddadi Givi

We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable energy gap at the c ...

AMER CHEMICAL SOC2020

Empowering Global Chemical Biology at the Dawn of the New Decade

Yimon Aye

On January 22-24, 2020, scientific luminaries across the far-flung corners of chemical biology gathered in Geneva, Switzerland, to deliver their latest and greatest discoveries in the field. Generously supported by the Swiss National Science Foundation (SN ...

AMER CHEMICAL SOC2020

Photoredox-Catalyzed Decarboxylation for the Transfer of Alkynes and Nitriles Using Hypervalent Iodine Reagents

Franck Le Vaillant

Aliphatic alkynes and nitriles are privileged motifs in organic chemistry. Therefore, alkynes and nitriles have played a central role for the exploration and development of novel strategies to forge C-C bonds in efficient manner. They are broadly used as v ...

EPFL2019

Extrapolating the Fragment-Based Approach to Inorganic Drug Discovery

Paul Joseph Dyson, Lucinda Kate Batchelor

The fragment-based approach is a well-established strategy for organic drug discovery. Recent studies have shown that this approach also has considerable potential in medicinal inorganic chemistry, and yet the approach has not been formally described. Here ...

ELSEVIER2019

Expedited Screening of Active and Regioselective Catalysts for the Hydroformylation Reaction

Anne-Clémence Corminboeuf, Matthew Wodrich, Michael Markus Busch

The discovery of new homogeneous catalysts that preferentially form one product over another in regio- or enantioselective chemical reactions has traditionally been the province of experimental chemists. Today, computational-based approaches have carved an ...

WILEY-V C H VERLAG GMBH2018

A computer-based prediction platform for the reaction of ozone with organic compounds in aqueous solution: kinetics and mechanisms

Urs von Gunten, Minju Lee

Ozonation of secondary wastewater effluents can reduce the discharge of micropollutants by transforming their chemical structures. Therefore, a better understanding of the formation of transformation products during ozonation is important. In this study, a ...

Royal Soc Chemistry2017

Guidelines for Measurement of Luminescence Spectra and Quantum Yields of Inorganic Compounds, Metal Complexes, and Materials

Jean-Claude Bünzli

Guidelines for measuring luminescence of inorganic compounds, metal complexes and organometallic compounds are described. Common textbooks and manuals describing these measurements are usually aimed for physical and/or organic chemists and are not always s ...

International Union of Pure and Applied Chemistry2016

Cyclic Hypervalent Iodine Reagents and Pd-Catalysis : Asymmetric Synthesis of α-Alkynyl and α-Azido Carbonyl Compounds

Maria Victoria Vita

Developing new strategies and methods to explore new dimensions of the chemical space represents an important goal for organic chemists. One particular synthetic approach that emerged in the last decades is Umpolung: the normal polarity of chemical functio ...

EPFL2015

Illuminating the chemo-mechanics of hydrogen enhanced fatigue crack growth in aluminum alloys

The presence of elemental hydrogen is known to accelerate fatigue crack growth in aluminum alloys. However, a direct link between experimental data and the governing atomistic mechanisms has remained elusive. Here we present a series of computational studi ...

Pergamon-Elsevier Science Ltd2015

Indole Alkaloids Synthesis via a Selective Cyclization of Aminocyclopropanes

Jérôme Waser, Filippo De Simone

The continuous progress in medicinal chemistry requires more versatile synthetic strategies for the generation of large libraries of active compounds and their analogues. As a result, the research for new effective cyclization and cycloaddition reactions i ...

2012

The Chance of a Lifetime: To Learn from the Best

Vera Slaveykova-Startcheva

The author describes her experience as a Maitre-assistance at the University of Geneva and the significant influence of Jacques Buff le on her development as an environmental chemist. ...

2009

Bioorganometallic chemistry-from teaching paradigms to medicinal applications

Paul Joseph Dyson, Christian Hartinger

In undergraduate level organometallic chem. courses students are usually taught that organometallic compds. are toxic and unstable in air and water. While this is true of many complexes, some are also non-toxic and stable in air and water. Indeed, bioorgan ...

Royal Society of Chemistry2009