15N SABRE Hyperpolarization of Metronidazole at Natural Isotope Abundance

Результат исследования: Научные публикации в периодических изданияхстатьярецензирование

1 Цитирования (Scopus)

Аннотация

Signal Amplification By Reversible Exchange (SABRE) is gaining increased attention as a tool to enhance weak Nuclear Magnetic Resonance (NMR) signals. In SABRE, spin order is transferred from parahydrogen (H2 in its nuclear singlet spin state) to a substrate molecule in a transient Ir-based complex. In recent years, SABRE polarization of biologically active substrates has been demonstrated, notably of metronidazole – an antibiotic and antiprotozoal drug. In this work, we study 15N SABRE polarization of metronidazole at natural isotope abundance. We are able to demonstrate significant 15N polarization reaching 15 %, which corresponds to a signal enhancement of 46,000 at 9.4 T for the nitrogen atom with lone electron pair. Additionally, the other two N-atoms can be polarized, although less efficiently. We present a detailed study of the field dependence of polarization and explain the maxima in the field dependence using the concept of coherent polarization transfer at level anti-crossings in the SABRE complex. A study of spin relaxation phenomena presented here enables optimization of the magnetic field for efficient storage of non-thermal polarization.

Язык оригиналаанглийский
Страницы (с-по)1470-1477
Число страниц8
ЖурналChemPhysChem
Том22
Номер выпуска14
Ранняя дата в режиме онлайн19 мая 2021
DOI
СостояниеОпубликовано - 16 июл 2021

Предметные области OECD FOS+WOS

  • 1.03 ФИЗИЧЕСКИЕ НАУКИ И АСТРОНОМИЯ
  • 1.04 ХИМИЧЕСКИЕ НАУКИ
  • 1.04.EI ХИМИЯ, ФИЗИЧЕСКАЯ
  • 1.03.UH ФИЗИКА, АТОМНАЯ, МОЛЕКУЛЯРНАЯ И ХИМИЧЕСКАЯ

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