Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: the Revolving Power of Ultra‐Fast MAS DOI Creative Commons
Jonas Koppe, Kevin J. Sanders, Thomas C. Robinson

и другие.

Angewandte Chemie, Год журнала: 2024, Номер 137(1)

Опубликована: Окт. 10, 2024

Abstract Ultra‐fast magic‐angle spinning (100+kHz) has revolutionized solid‐state NMR of biomolecular systems but so far failed to gain ground for the analysis paramagnetic organic and inorganic powders, despite potential rewards from substantially improved spectral resolution. The principal blockages are that smaller fast‐spinning rotors present significant barriers sample preparation, particularly air/moisture‐sensitive systems, associated with low sensitivity reduced volumes. Here, we demonstrate penalty is less severe than expected highly solids more offset by While previous approaches employing slower MAS often unsuccessful in providing sufficient resolution, show ultra‐fast 100+kHz allows site‐specific assignments all resonances complex solids. Combined reliable rotor materials handling methods, this opens way routine characterization geometry electronic structures functional chemistry, including catalysts battery materials. We benchmark approach on a hygroscopic luminescent Tb 3+ complex, an air‐sensitive homogeneous high‐spin Fe 2+ catalyst, series mixed /Mn /Mg olivine‐type cathode

Язык: Английский

Probing Biomolecular Interactions with Paramagnetic Nuclear Magnetic Resonance Spectroscopy DOI Creative Commons

H. Büsch,

Muhammad Yasir Ateeque,

Florian Taube

и другие.

ChemBioChem, Год журнала: 2025, Номер unknown

Опубликована: Янв. 13, 2025

Abstract Recent advances in computational methods like AlphaFold have transformed structural biology, enabling accurate modeling of protein complexes and driving applications drug discovery engineering. However, predicting the structure systems involving weak, transient, or dynamic interactions, with disordered regions, remains challenging. Nuclear Magnetic Resonance (NMR) spectroscopy offers atomic‐level insights into biomolecular complexes, even weakly interacting systems. Paramagnetic NMR, particular, provides long‐range restraints, easily exceeding distances over 25 Å, making it ideal for studying large complexes. Advances chemical tools introducing paramagnetic tags proteins, combined progress electron resonance (EPR) spectroscopy, enhanced method's utility. This perspective article discusses NMR approaches analyzing solution solid state, emphasizing quantities pseudocontact shifts, residual dipolar couplings, relaxation enhancements. Additionally, nuclear polarization a promising method to amplify signals complex environments. The integration prediction holds great potential advancing our understanding interactions.

Язык: Английский

Процитировано

0
Introduction to average Hamiltonian Theory. II. advanced examples DOI Creative Commons
Andreas Brinkmann

Journal of Magnetic Resonance Open, Год журнала: 2025, Номер unknown, С. 100191 - 100191

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

0
Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: the Revolving Power of Ultra‐Fast MAS DOI Creative Commons
Jonas Koppe, Kevin J. Sanders, Thomas C. Robinson

и другие.

Angewandte Chemie International Edition, Год журнала: 2024, Номер 64(1)

Опубликована: Окт. 10, 2024

Ultra-fast magic-angle spinning (100+kHz) has revolutionized solid-state NMR of biomolecular systems but so far failed to gain ground for the analysis paramagnetic organic and inorganic powders, despite potential rewards from substantially improved spectral resolution. The principal blockages are that smaller fast-spinning rotors present significant barriers sample preparation, particularly air/moisture-sensitive systems, associated with low sensitivity reduced volumes. Here, we demonstrate penalty is less severe than expected highly solids more offset by While previous approaches employing slower MAS often unsuccessful in providing sufficient resolution, show ultra-fast 100+kHz allows site-specific assignments all resonances complex solids. Combined reliable rotor materials handling methods, this opens way routine characterization geometry electronic structures functional chemistry, including catalysts battery materials. We benchmark approach on a hygroscopic luminescent Tb

Язык: Английский

Процитировано

0
Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: the Revolving Power of Ultra‐Fast MAS DOI Creative Commons
Jonas Koppe, Kevin J. Sanders, Thomas C. Robinson

и другие.

Angewandte Chemie, Год журнала: 2024, Номер 137(1)

Опубликована: Окт. 10, 2024

Abstract Ultra‐fast magic‐angle spinning (100+kHz) has revolutionized solid‐state NMR of biomolecular systems but so far failed to gain ground for the analysis paramagnetic organic and inorganic powders, despite potential rewards from substantially improved spectral resolution. The principal blockages are that smaller fast‐spinning rotors present significant barriers sample preparation, particularly air/moisture‐sensitive systems, associated with low sensitivity reduced volumes. Here, we demonstrate penalty is less severe than expected highly solids more offset by While previous approaches employing slower MAS often unsuccessful in providing sufficient resolution, show ultra‐fast 100+kHz allows site‐specific assignments all resonances complex solids. Combined reliable rotor materials handling methods, this opens way routine characterization geometry electronic structures functional chemistry, including catalysts battery materials. We benchmark approach on a hygroscopic luminescent Tb 3+ complex, an air‐sensitive homogeneous high‐spin Fe 2+ catalyst, series mixed /Mn /Mg olivine‐type cathode

Язык: Английский

Процитировано

0