Using optimal control methods with constraints to generate singlet states in NMR

Bogdan A. Rodin, Alexey S. Kiryutin, Alexandra V. Yurkovskaya, Konstantin L. Ivanov, Satoru Yamamoto, Kazunobu Sato, Takeji Takui

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)

Abstract

A method is proposed for optimizing the performance of the APSOC (Adiabatic-Passage Spin Order Conversion) technique, which can be exploited in NMR experiments with singlet spin states. In this technique magnetization-to-singlet conversion (and singlet-to-magnetization conversion) is performed by using adiabatically ramped RF-fields. Optimization utilizes the GRAPE (Gradient Ascent Pulse Engineering) approach, in which for a fixed search area we assume monotonicity to the envelope of the RF-field. Such an approach allows one to achieve much better performance for APSOC; consequently, the efficiency of magnetization-to-singlet conversion is greatly improved as compared to simple model RF-ramps, e.g., linear ramps. We also demonstrate that the optimization method is reasonably robust to possible inaccuracies in determining NMR parameters of the spin system under study and also in setting the RF-field parameters. The present approach can be exploited in other NMR and EPR applications using adiabatic switching of spin Hamiltonians.

Original languageEnglish
Pages (from-to)14-22
Number of pages9
JournalJournal of Magnetic Resonance
Volume291
DOIs
Publication statusPublished - 1 Jun 2018

Keywords

  • Adiabatic passage
  • Long-lived states
  • Optimal control theory
  • Singlet-state NMR
  • Spin relaxation
  • SPIN STATES
  • SLOW DIFFUSION
  • LIMITS
  • DIFFUSION-COEFFICIENTS
  • INVERSION
  • BROAD-BAND EXCITATION
  • MOLECULES
  • ORDER
  • SPECTROSCOPY
  • LONG-LIVED STATES

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