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Fast Resonance Assignment and Fold Determination of Human Superoxide Dismutase by High-Resolution Proton-Detected Solid-State MAS NMR Spectroscopy

Publications associées (46)

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NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

Manuel Cordova

Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

EPFL2023

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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 ...

AMER CHEMICAL SOC2022

Multimodal Response to Copper Binding in Superoxide Dismutase Dynamics

David Lyndon Emsley

Copper/zinc superoxide dismutase (SOD) is a homodimeric metalloenzyme that has been extensively studied as a benchmark for structure-function relationships in proteins, in particular because of its implication in the familial form of the neurodegenerative ...

AMER CHEMICAL SOC2020

Advanced Computational Methods for NMR Crystallography

Albert Hofstetter

Knowledge of the atomic-level structure is key to understanding and predicting properties of materials. X-ray diffraction (XRD) is the methods of choice for structures containing well-defined long-range order. However, many materials contain various degree ...

EPFL2019

Study of fast exchanging processes by NMR Spectroscopy

Estel Canet Martinez

Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful and informative methods to probe molecular dynamics. Specifically, chemical exchange is an important phenomenon and one of the earliest and most vigorously investigated in NMR spectr ...

EPFL2017

Three-Dimensional Structure Determination of Surface Sites

David Lyndon Emsley, Moreno Lelli, Pierrick Berruyer, David Benjamin Roger Antoine Gajan

The spatial arrangement of atoms is directly linked to chemical function. A fundamental challenge in surface chemistry and catalysis relates to the determination of three-dimensional structures with atomic-level precision. Here we determine the three-dimen ...

American Chemical Society2017

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

Henrik Moodysson Rønnow, Luc Testa, Peter Babkevich, Gregory Scott Tucker

The antiferromagnetic compound Ba(TiO)Cu4(PO4)4 contains square cupola of corner-sharing CuO4 plaquettes, which were proposed to form effective quadrupolar order. To identify the magnetic structure, we have performed spherical neutron polarimetry measureme ...

2017

Dynamic Nuclear Polarization Efficiency Increased by Very Fast Magic Angle Spinning

David Lyndon Emsley, Moreno Lelli, Arthur César Pinon, Pierrick Berruyer, David Benjamin Roger Antoine Gajan

Dynamic nuclear polarization (DNP) has recently emerged as a tool to enhance the sensitivity of solid-state NMR experiments. However, so far high enhancements (>100) are limited to relatively low magnetic fields, and DNP at fields higher than 9.4 T signifi ...

American Chemical Society2017

Protein structure determination by proton-detected magic-angle spinning (MAS) NMR has focused on highly deuterated samples, in which only a small number of protons are introduced and observation of signals from side chains is extremely limited. Here, we sh ...

National Academy of Sciences2016

Nuclear overhauser spectroscopy of chiral CHD methylene groups

Geoffrey Bodenhausen, Fabien Ferrage

Nuclear magnetic resonance spectroscopy (NMR) can provide a great deal of information about structure and dynamics of biomolecules. The quality of an NMR structure strongly depends on the number of experimental observables and on their accurate conversion ...

Springer Verlag2016