Constant-adiabaticity ultralow magnetic field manipulations of parahydrogen-induced polarization: application to an AA'X spin system

Rodin, Bogdan A.; Eills, James; Picazo‐Frutos, Román; Sheberstov, Kirill F.; Budker, Dmitry; Ivanov, Konstantin L.

doi:10.1039/d0cp06581a

Cited by 25 publications

(69 citation statements)

References 51 publications

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“…This is in contrast to typical zero-to-ultralow field experiments which involve frequencies on the order of several Hz at most [29][30][31] . The observed polarization levels are comparable to other low-field techniques [17][18][19][20] . However, we provide numerical evidence that the STORM method greatly outperforms several existing techniques in the presence of fast relaxing quadrupolar nuclei, such as deuterium for example.…”

Section: Introductionsupporting

confidence: 84%

“…Particular promising techniques are para-hydrogen induced polarisation (PHIP) methods 1,2,[7][8][9][10][11][12][13][14][15][16][17][18][19][20][21] . Methods of this type utilise molecular hydrogen gas enriched in its para-spin isomer, typically achieved by passing the cooled gas over an iron oxide catalyst 1,2 .…”

Section: Introductionmentioning

confidence: 99%

“…A number of techniques already exist for this purpose, both at high and low magnetic fields [10][11][12][13][14][15][16][17][18][19][20][21] . High field methods benefit from the usual advantages, spectral separation between heteroand homonuclei, strong pulse schemes with error compensation and applicability to a broad class of molecular systems 11,15,[21][22][23][24] .…”

Section: Introductionmentioning

confidence: 99%

“…Some of these issues may be circumvented at low magnetic fields 10,13,14,[17][18][19] . This has been utilised to produce large quan-School of Chemistry, Highfield Campus, Southampton, United Kingdom, SO171BJ.…”

Section: Introductionmentioning

confidence: 99%

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Hyperpolarization read-out through rapidly rotating fields in the zero- and low-field regime

Dagys,

Bengs

2022

Preprint

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An integral part of para-hydrogen induced polarization (PHIP) methods is the conversion of nuclear singlet order into observable magnetization. In this study polarisation transfer to a heteronucleus is achieved through a selective rotation of the proton singlet-triplet states driven by a combination of a rotating magnetic field and a weak bias field. Surprisingly we find that efficient polarisation transfer driven by a STORM (Singlet-Triplet Oscillations through Rotating Magnetic fields) pulse in the presence of sub-µT bias fields requires rotation frequencies on the order of several kHz. The rotation frequencies therefore greatly exceed any of the internal frequencies of typical zero-to ultralow field experiments. We further show that the rotational direction of the rotating field is not arbitrary and greatly influences the final transfer efficiency. Some of these aspects are demonstrated experimentally by considering hyperpolarised (1-13 C)fumarate. In addition, we provide numerical simulations highlighting the resilience of the STORM pulse against disruptive quadrupolar coupling partners. In contrast to most of the existing methods, the STORM procedure therefore represents a promising candidate for quadrupolar decoupled polarisation transfer in PHIP experiments.J o u r n a l N a me , [ y e a r ] , [ v o l . ] ,

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Section: Introductionsupporting

confidence: 84%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Hyperpolarization read-out through rapidly rotating fields in the zero- and low-field regime

Dagys,

Bengs

2022

Preprint

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“…Comparison of these spectra allows the estimation of the 13 C polarization levels achieved by WEREWOLF, which are p 8% for fumarate and p 19% for maleate. These results are highly competitive with previous work [24,29,30], especially when the relatively low para-hydrogen enrichment levels, crude apparatus, manual sample transport, and sub-optimal reaction conditions are taken into account.…”

Section: Resultsmentioning

confidence: 61%

Low-Frequency Excitation of Singlet-Triplet Transitions. Application to Nuclear Hyperpolarization

Dagys,

Bengs,

Levitt

2021

Preprint

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Coupled pairs of nuclear spins-1/2 support one singlet state and three triplet states. Transitions between the singlet state and one of the triplet states may be driven by an oscillating low-frequency magnetic field, in the presence of couplings to a third nuclear spin, and a weak bias magnetic field. This phenomenon allows the generation of strong nuclear hyperpolarization of 13 C nuclei, starting from the nuclear singlet polarization of a 1 H spin pair, associated with the enriched para spin isomer of hydrogen gas. Hyperpolarization is demonstrated for two molecular systems.

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Deuteron‐Decoupled Singlet NMR in Low Magnetic Fields: Application to the Hyperpolarization of Succinic Acid**

et al. 2022

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The reaction of unsaturated substrates with hydrogen gas enriched in the para spin isomer leads to products with a high degree of nuclear singlet spin order. This leads to greatly enhanced NMR signals, with important potential applications such as magnetic resonance imaging (MRI) of metabolic processes. Although parahydrogen-induced polarization has the advantage of being cheap, compact, and mobile, especially when performed in ultralow magnetic fields, efficiency is lost when more than a few protons are involved. This strongly restricts the range of compatible substances. We show that these difficulties may be overcome by a combination of deuteration with the application of a sinusoidally modulated longitudinal field as a well as a transverse rotating magnetic field. We demonstrate a six-fold enhancement in the 13 C hyperpolarization of [1-13 C, 2,3-d 2 ]-succinic acid, as compared with standard hyperpolarization methods, applied in the same ultralow field regime.

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Constant-adiabaticity ultralow magnetic field manipulations of parahydrogen-induced polarization: application to an AA'X spin system

Abstract: Magnetic field sweeps are used to transfer parahydrogen-induced polarization from hydrogen atoms onto heteronuclear spins such as carbon-13. In this work we describe and implement constant adiabaticity field sweep profiles for this purpose.

Cited by 25 publications

References 51 publications

Hyperpolarization read-out through rapidly rotating fields in the zero- and low-field regime

Hyperpolarization read-out through rapidly rotating fields in the zero- and low-field regime

Low-Frequency Excitation of Singlet-Triplet Transitions. Application to Nuclear Hyperpolarization

Deuteron‐Decoupled Singlet NMR in Low Magnetic Fields: Application to the Hyperpolarization of Succinic Acid**

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