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High-field SABRE pulse sequence design for chemically non-equivalent spin systems.

Danil A Markelov1,2, Vitaly P Kozinenko1, Alexey S Kiryutin1

  • 1International Tomography Center, Siberian Branch of the Russian Academy of Science, Novosibirsk 630090, Russia.

The Journal of Chemical Physics
|December 3, 2024
PubMed
Summary
This summary is machine-generated.

Signal amplification by reversible exchange (SABRE) enhances NMR sensitivity using parahydrogen. This study introduces a new pulse sequence for efficient 15N hyperpolarization in chemically non-equivalent SABRE complexes, broadening substrate applicability.

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Area of Science:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Hyperpolarization Techniques
  • Quantum Chemistry

Background:

  • Signal Amplification by Reversible Exchange (SABRE) utilizes parahydrogen to enhance NMR signals.
  • High-field SABRE hyperpolarization is sensitive to the spin system's chemical equivalence.
  • Efficient hyperpolarization in chemically non-equivalent systems remains a significant challenge.

Purpose of the Study:

  • To develop an efficient method for 15N hyperpolarization in chemically non-equivalent SABRE complexes.
  • To overcome limitations in current high-field SABRE techniques.
  • To expand the range of substrates amenable to SABRE hyperpolarization.

Main Methods:

  • Development of a multinuclear 1H-15N pulse sequence.
  • Simultaneous 1H and 15N radiofrequency excitation using weak continuous wave magnetic fields.
  • Application to SABRE complexes involving parahydrogen and substrates.

Main Results:

  • Achieved efficient 15N hyperpolarization in chemically non-equivalent SABRE complexes.
  • Demonstrated 15N polarization in antimicrobial drugs at natural isotopic abundance.
  • Enabled precise assignment of SABRE complexes responsible for polarization transfer.

Conclusions:

  • The novel pulse sequence effectively enables 15N hyperpolarization in challenging non-equivalent SABRE systems.
  • This advancement broadens the scope of SABRE applications in chemical and biological research.
  • The method facilitates the study of specific molecular interactions and drug mechanisms.