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Wei D, Akbey Ü, Paaske B, et al. Optimal (2)H rf Pulses and (2)H-(13)C Cross-Polarization Methods for Solid-State (2)H MAS NMR of Perdeuterated Proteins. J Phys Chem Lett. 2011;2(11):1289-94doi: 10.1021/jz200511b.
Wei, D., Akbey, �. �., Paaske, B., Oschkinat, H., Reif, B., Bjerring, M., & Nielsen, N. C. (2011). Optimal (2)H rf Pulses and (2)H-(13)C Cross-Polarization Methods for Solid-State (2)H MAS NMR of Perdeuterated Proteins. The journal of physical chemistry letters, 2(11), 1289-94. https://doi.org/10.1021/jz200511b
Wei, Daxiu, et al. "Optimal (2)H rf Pulses and (2)H-(13)C Cross-Polarization Methods for Solid-State (2)H MAS NMR of Perdeuterated Proteins." The journal of physical chemistry letters vol. 2,11 (2011): 1289-94. doi: https://doi.org/10.1021/jz200511b
Wei D, Akbey Ü, Paaske B, Oschkinat H, Reif B, Bjerring M, Nielsen NC. Optimal (2)H rf Pulses and (2)H-(13)C Cross-Polarization Methods for Solid-State (2)H MAS NMR of Perdeuterated Proteins. J Phys Chem Lett. 2011 Jun 02;2(11):1289-94. doi: 10.1021/jz200511b. Epub 2011 May 12. PMID: 26295423.
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J Phys Chem Lett. 2011 Jun 02;2(11):1289-94. doi: 10.1021/jz200511b. Epub 2011 May 12.

Optimal (2)H rf Pulses and (2)H-(13)C Cross-Polarization Methods for Solid-State (2)H MAS NMR of Perdeuterated Proteins.

The journal of physical chemistry letters

Daxiu Wei, Ümit Akbey, Berit Paaske, Hartmut Oschkinat, Bernd Reif, Morten Bjerring, Niels Chr Nielsen

Affiliations

  1. †Center for Insoluble Protein Structures (inSPIN), Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry, Aarhus University, DK-8000 Aarhus C, Denmark.
  2. ‡Shanghai Key Lab Magnetic Resonance, East China Normal University, Shanghai 200062, Peoples Republic China.
  3. §NMR Supported Structural Biology, Leibniz-Institut für Molekulare Pharmakologie (FMP), Robert Roessle Strasse 10, D-13125 Berlin, Germany.
  4. ?Center for Integrated Protein Science Munich (CIPS-M) at Department of Chemistry, Technische Universität München, Lichtenbergstrasse 4, D-85747 Garching, Germany, and Helmholtz-Zentrum München, Ingolstädter Landstr. 1, 85764 Neuherberg, Germany.

PMID: 26295423 DOI: 10.1021/jz200511b

Abstract

We present a novel concept for rf pulses and optimal control designed cross-polarization experiments for quadrupolar nuclei. The methods are demonstrated for (2)H CP-MAS and (2)H multiple-pulse NMR of perdeuterated proteins, for which sensitivity enhancements up to an order of magnitude are presented relative to commonly used approaches. The so-called RESPIRATION rf pulses combines the concept of short broad-band pulses with generation of pulses with large flip angles through distribution of the rf pulse over several rotor echoes. This lead to close-to-ideal rf pulses, facilitating implementation of experiments relying on the ability to realize high-performance 90 and 180° pulses, as, for example, in refocused INEPT and double-to-single quantum coherence experiments, or just pulses that provide a true representation of the quadrupolar powder pattern to extract information about the structure or dynamics. The optimal control (2)H → (13)C CP-MAS method demonstrates transfer efficiencies up to around 85% while being extremely robust toward rf inhomogeneity and resonance offsets.

Keywords: 2H MAS; CP; optimal control; optimal rf pulses; proteins; sensitivity enhancement; solid-state NMR

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