Magnetic structure of Ba(TiO)Cu4(PO4)4 probed using spherical neutron polarimetry

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H-1 Hyperpolarization of Solutions by Overhauser Dynamic Nuclear Polarization with C-13-H-1 Polarization Transfer

David Lyndon Emsley, Pinelopi Moutzouri, Yu Rao, Amrit Venkatesh

Dynamic nuclear polarization (DNP) is a method that can significantly increase the sensitivity of nuclear magnetic resonance. The only effective DNP mechanism for in situ hyperpolarization in solution is Overhauser DNP, which is inefficient for H-1 at high ...

2022

Characterization of Chemisorbed Species and Active Adsorption Sites in Mg-Al Mixed Metal Oxides for High-Temperature CO2 Capture

Berend Smit, Kevin Maik Jablonka, Christopher Patrick Ireland

Mg-Al mixed metal oxides (MMOs), derived from the decomposition of layered double hydroxides (LDHs), have been purposed as adsorbents for CO2 capture of industrial plant emissions. To aid in the design and optimization of these materials for CO2 capture at ...

AMER CHEMICAL SOC2022

De Novo Crystal Structure Determination from Machine Learned Chemical Shifts

David Lyndon Emsley, Manuel Cordova, Albert Hofstetter, Martins Balodis

Determination of the three-dimensional atomic-level structure of powdered solids is one of the key goals in current chemistry. Solid-state NMR chemical shifts can be used to solve this problem, but they are limited by the high computational cost associated ...

2022

Magnetic Properties of Surface Adsorbed Metal Adatoms and Dimers

Dante Philippe Sblendorio

This thesis investigates the magnetic properties of single atoms and dimers adsorbed on graphene and oxide decoupling layers supported by single crystal metal substrates, using scanning tunneling microscopy (STM) and spin-polarized scanning tunneling micro ...

EPFL2022

Lower glutamate and GABA levels in auditory cortex of tinnitus patients: a 2D-JPRESS MR spectroscopy study

Thorsten Kleinjung, Patrick Karl Alois Neff

We performed magnetic resonance spectroscopy (MRS) on healthy individuals with tinnitus and no hearing loss (n = 16) vs. a matched control group (n = 17) to further elucidate the role of excitatory and inhibitory neurotransmitters in tinnitus. Two-dimensio ...

Nature Research2022

Canted antiferromagnetic phases in the candidate layered Weyl material EuMnSb2

Xiaoqiang Wang

EuMnSb2 is a candidate topological material which can be tuned towards a Weyl semimetal, but there are differing reports for its antiferromagnetic (AFM) phases. The coupling of bands dominated by pure Sb layers hosting topological fermions to Mn and Eu mag ...

AMER PHYSICAL SOC2022

New methods for structure determination and speciation by NMR crystallography

Martins Balodis

NMR crystallography has been around for half a century, but with the advent of NMR crystal structure determination protocols in the last decade it has shown perspectives that were not seen before. Amalgamation of NMR and crystal structure determination has ...

EPFL2022

Hyperpolarization of inorganic solids

Snaedis Björgvinsdóttir

Solid-state NMR can provide information about the atomic level structure and dynamics of materials. It directly probes symmetry and structure at nuclear sites, and is especially useful for investigation of disordered or amorphous solids that lack long rang ...

EPFL2020

Theory and simulations of homonuclear three-spin systems in rotating solids

David Lyndon Emsley, Gabriele Stevanato, Pinelopi Moutzouri, Bruno Simões de Almeida

The homonuclear dipolar coupling is the internal spin interaction that contributes the most to the line shapes in magic-angle-spinning (MAS) H-1 NMR spectra of solids, and linewidths typically extend over several hundred Hertz, limiting the H-1 resolution. ...

2021

Solid-state NMR spectroscopy

David Lyndon Emsley

Solid-state nuclear magnetic resonance (NMR) spectroscopy is an atomic-level method to determine the chemical structure, 3D structure and dynamics of solids and semi-solids. This Primer summarizes the basic principles of NMR spectroscopy as applied to the ...

SPRINGERNATURE2021

Structure determination of an amorphous drug through large-scale NMR predictions

David Lyndon Emsley, Manuel Cordova, Albert Hofstetter, Pierrick Berruyer, Federico Maria Paruzzo, Bruno Simões de Almeida, Martins Balodis

Knowledge of the structure of amorphous solids can direct, for example, the optimization of pharmaceutical formulations, but atomic-level structure determination in amorphous molecular solids has so far not been possible. Solid-state nuclear magnetic reson ...

Nature Research2021