Theoretical description of RESPIRATION-CP

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  • Anders B. Nielsen
  • Kong Ooi Tan, ETH, Swiss Federal Institute of Technology Zurich, Phys Chem Lab
  • ,
  • Ravi Shankar
  • ,
  • Susanne Penzel, ETH, Swiss Federal Institute of Technology Zurich, Phys Chem Lab
  • ,
  • Riccardo Cadalbert, ETH, Swiss Federal Institute of Technology Zurich, Phys Chem Lab
  • ,
  • Ago Samoson, Tallinn Univ Technol, Tallinn University of Technology, NMR Inst, Tehnomeedikum
  • ,
  • Beat H. Meier, ETH, Swiss Federal Institute of Technology Zurich, Phys Chem Lab
  • ,
  • Matthias Ernst, ETH, Swiss Federal Institute of Technology Zurich, Phys Chem Lab

We present a quintuple-mode operator-based Floquet approach to describe arbitrary amplitude modulated cross polarization experiments under magic-angle spinning (MAS). The description is used to analyze variants of the RESPIRATION approach ((CP)-C-RESPIRATION) where recoupling conditions and the corresponding first-order effective Hamiltonians are calculated, validated numerically and compared to experimental results for N-15-C-13 coherence transfer in uniformly C-13,N-15-labeled alanine and in uniformly H-2,C-13,N-15-labeled (deuterated and 100% back-exchanged) ubiquitin at spinning frequencies of 16.7 and 90.9 kHz. Similarities and differences between different implementations of the (CP)-C-RESPIRATION sequence using either CW irradiation or small flip-angle pulses are discussed. (C) 2016 Elsevier B.V. All rights reserved.

Original languageEnglish
JournalChemical Physics Letters
Volume645
Pages (from-to)150-156
Number of pages7
ISSN0009-2614
DOIs
Publication statusPublished - Feb 2016

    Research areas

  • SOLID-STATE NMR, ANGLE-SPINNING NMR, CROSS-POLARIZATION, COHERENCE TRANSFER, MAS NMR, SPECTROSCOPY, RESONANCE, EFFICIENT, PHASE, IRRADIATION

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ID: 97875836