Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies

A deeper understanding of parameters affecting Magic Angle Spinning Dynamic Nuclear Polarization (MAS–DNP), an emerging nuclear magnetic resonance hyperpolarization method, is crucial for the development of new polarizing agents and the successful implementation of the technique at higher magnetic fields (>10 T).

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Competing transfer pathways in direct and indirect dynamic nuclear polarization magic anglespinning nuclear magnetic resonance experiments on HIV-1 capsid assemblies: implications for sensitivity and resolution

Magnetic Resonance ◽

10.5194/mr-2-239-2021 ◽

2021 ◽

Vol 2 (1) ◽

pp. 239-249

Author(s):

Ivan V. Sergeyev ◽

Caitlin M. Quinn ◽

Jochem Struppe ◽

Angela M. Gronenborn ◽

Tatyana Polenova

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Dynamic Nuclear Polarization ◽

Nuclear Polarization ◽

Magic Angle Spinning ◽

Magic Angle ◽

Large Signal ◽

Experimental Conditions ◽

Hiv 1 ◽

Nuclear Magnetic

Abstract. Dynamic nuclear polarization (DNP)-enhanced magic angle spinning (MAS) nuclear magnetic resonance (NMR) of biological systems is a rapidly growing field. Large signal enhancements make the technique particularly attractive for signal-limited cases, such as studies of complex biological assemblies or at natural isotopic abundance. However, spectral resolution is considerably reduced compared to ambient-temperature non-DNP spectra. Herein, we report a systematic investigation into sensitivity and resolution of 1D and 2D 13C-detected DNP MAS NMR experiments on HIV-1 CA capsid protein tubular assemblies. We show that the magnitude and sign of signal enhancement as well as the homogeneous line width are strongly dependent on the biradical concentration, the dominant polarization transfer pathway, and the enhancement buildup time. Our findings provide guidance for optimal choice of sample preparation and experimental conditions in DNP experiments.

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Faculty Opinions recommendation of Dynamic Nuclear Polarization Magic Angle Spinning NMR Combined with MD Simulations Permits Detection of Order and Disorder in Viral Assemblies.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.735837384.793560950 ◽

2019 ◽

Author(s):

Ayyalusamy Ramamoorthy

Keyword(s):

Dynamic Nuclear Polarization ◽

Nuclear Polarization ◽

Md Simulations ◽

Magic Angle Spinning ◽

Magic Angle ◽

Order And Disorder ◽

Angle Spinning

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Augmenting microwave irradiation in MAS DNP NMR samples at 263 GHz

EPJ Web of Conferences ◽

10.1051/epjconf/201818701005 ◽

2018 ◽

Vol 187 ◽

pp. 01005 ◽

Cited By ~ 3

Author(s):

Armin Purea ◽

Benjamin Ell ◽

Christian Reiter ◽

Fabien Aussenac ◽

Frank Engelke

Keyword(s):

Nuclear Magnetic Resonance ◽

Spatial Distribution ◽

Magnetic Resonance ◽

Field Strength ◽

Nuclear Polarization ◽

Microwave Field ◽

Magic Angle Spinning ◽

Magic Angle ◽

Microwave Beam ◽

Angle Spinning

The magnetic microwave field strength and its detailed spatial distribution in magic-angle spinning (MAS) nuclear magnetic resonance (NMR) probes capable of dynamic nuclear polarization (DNP) is investigated by numerical simulations with the objective to augment the magnetic microwave amplitude by structuring the sample in the mm and sub-mm range and by improving the coupling of the incident microwave beam to the sample. As it will be shown experimentally, both measures lead to an increase of the microwave efficiency in DNP MAS NMR.

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