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Efficient Kinetic Resolution of Sulfur-Stereogenic Sulfoximines by Exploiting (CpRhIII)-Rh-X-Catalyzed C-H Functionalization

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Publications associées (38)

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Enantioselective C(sp(3))-C(sp(3)) cross-coupling of non-activated alkyl electrophiles via nickel hydride catalysis

Xile Hu, Runze Mao, Srikrishna Bera

Cross-coupling of two alkyl fragments is an efficient method to produce organic molecules rich in sp(3)-hybridized carbon centres, which are attractive candidate compounds in drug discovery. Enantioselective C(sp(3))-C(sp(3)) coupling is challenging, espec ...

2020

Ligand Effects in Low-Valent Co(I) Clathrochelate Complexes

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Ophélie Marie Planes

Clathrochelate complexes of cobalt are known in the oxidation states I, II, and III. Low-valent Co(I) complexes are highly reactive compounds, and there is only limited knowledge about their structures in the solid state. Herein, we describe the crystallog ...

2021

Accuracy of Molecular Simulation-Based Predictions of k(off) Values: A Metadynamics Study

Ursula Röthlisberger, Simone Meloni, Viacheslav Bolnykh

The k(off) values of ligands unbinding to proteins are key parameters for drug discovery. Their predictions based on molecular simulation may under- or overestimate experiment in a system- and/or technique-dependent way. Here we use an established method-i ...

AMER CHEMICAL SOC2020

Observation of a singular Weyl point surrounded by charged nodal walls in PtGa

Oleg Yazyev, Jan Hugo Dil, Quansheng Wu, Shengnan Zhang

Constrained by the Nielsen-Ninomiya no-go theorem, in all so-far experimentally determined Weyl semimetals (WSMs) the Weyl points (WPs) always appear in pairs in the momentum space with no exception. As a consequence, Fermi arcs occur on surfaces which con ...

Nature Research2021

DUBS: A Framework for Developing Directory of Useful Benchmarking Sets for Virtual Screening

Guillaume André Jean Fraux

Benchmarking is a crucial step in evaluating virtual screening methods for drug discovery. One major issue that arises among benchmarking data sets is a lack of a standardized format for representing the protein and ligand structures used to benchmark the ...

2020

Atropo‐Enantioselective Oxidation‐Enabled Iridium(III)‐Catalyzed C−H Arylations with Aryl Boronic Esters

Nicolai Cramer, Lukasz Piotr Wozniak

Atropo-enantioselective biaryl coupling through C−H bond functionalization is an emerging technology allowing direct construction of axially chiral molecules. This approach is largely limited to electrophilic coupling partners. We report a highly atropo-en ...

Wiley-VCH Verlag GmbH2021

Chiral fermion asymmetry in high-energy plasma simulations

Salim Bennouna

The chiral magnetic effect (CME) is a quantum relativistic effect that describes the appearance of an additional electric current along a magnetic field. It is caused by an asymmetry between the number densities of left- and right-handed fermions, which ca ...

2020

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

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

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

Chiral Alkyl Amine Synthesis via Catalytic Enantioselective Hydroalkylation of Enecarbamates

Xile Hu, Srikrishna Bera, Deyun Qian

Chiral alkyl amines are omnipresent as bioactive molecules and synthetic intermediates. The catalytic and enantioselective synthesis of alkyl amines from readily accessible precursors is challenging. Here we develop a nickel-catalyzed hydroalkylation metho ...

AMER CHEMICAL SOC2021

Control of a polar order via magnetic field in a vector-chiral magnet

Helmuth Berger

Vector-chiral (VC) antiferromagnetism is a spiral-like ordering of spins which may allow ferroelectricity to occur due to loss of space inversion symmetry. In this Letter we report direct experimental observation of ferroelectricity in the VC phase of beta ...

AMER PHYSICAL SOC2021

Macrocycle synthesis strategy based on step-wise “adding and reacting” three components enables screening of large combinatorial libraries

Carl Leonard Stenbratt, Christian Heinis, Gerardo Turcatti, Alessandro Angelini, Alessandro Zorzi, Jonathan Patrice Vesin, Kaycie Marie Butler, Julien Bortoli Chapalay, Sangram Shivdas Kale, Ganesh Kumar Mothukuri

Macrocycles provide an attractive modality for drug development, but generating ligands for new targets is hampered by the limited availability of large macrocycle libraries. We have established a solution-phase macrocycle synthesis strategy in which three ...

2020

Nitride protonation and NH3 binding versus N-H bond cleavage in uranium nitrides

Rosario Scopelliti, Marinella Mazzanti, Megan Renee Keener

The conversion of metal nitrides to NH3 is an essential step in dinitrogen fixation, but there is limited knowledge of the reactivity of nitrides with protons (H+). Herein, we report comparative studies for the reactions of H+ and NH3 with uranium nitrides ...

2021

Enhancing the Signaling of GPCRs via Orthosteric Ions

Horst Arthur Vogel, Shuguang Yuan

G protein-coupled receptors play essential roles in cellular processes such as neuronal signaling, vision, olfaction, tasting, and metabolism. As GPCRs are the most important drug targets, understanding their interactions with ligands is of utmost importan ...

AMER CHEMICAL SOC2020

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

Magnetic-field-induced reorientation in the spin-density-wave and the spin-stripe phases of the frustrated spin-1/2 chain compound beta-TeVO4

Helmuth Berger

beta-TeVO4 is a frustrated spin-1/2 zig-zag chain system, where spin-density-wave (SDW), vector-chiral (VC) and an exotic dynamic spin-stripe phase compete at low temperatures. Here we use torque magnetometry to study the anisotropy of these phases in magn ...

2020

Generation of an electromagnetic field nonminimally coupled to gravity during Higgs inflation

Oleksandr Sobol

In the framework of Higgs inflation, we consider the electromagnetic field nonminimally coupled to gravity via the parity-preserving proportional to RF2 and parity-violating proportional to RF (F) over tilde terms. Using the perturbation theory to the lead ...

American Physical Society2021

Ripening of two-dimensional colloidal CdSe nanocrystals into zero-dimensional nanodots

Martinus Adela Maria Gijs, Virendra Kumar Parashar, Xiaopeng Huang

Understanding the ripening of two-dimensional (2D) colloidal nanocrystals (NCs) is important for the controllable synthesis of NCs with desired morphology and properties. In this study, we systematically investigate the ripening behavior of the 2D CdSe NCs ...

CELL PRESS2021

Rh-I, Ir-III ,and Co-III Complexes with Atropchiral Biaryl Cyclopentadienyl Ligands: Syntheses, Structures, and Catalytic Activities

Nicolai Cramer, Coralie Danielle Annick Duchemin, Gints Smits

Chiral cyclopentadienyl (Cp-x) group 9 metal complexes have become versatile catalysts for a variety of efficient enantioselective C-H functionalizations. Atropchiral binaphthyl-derived Cp-x ligands having tuning options at the 3,3'-positions present a rob ...

2019