Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal
            <sup>15</sup>
            N
            <sub>2</sub>
            -diazirine molecular tags

Theis, Thomas; Ortiz, Gerardo X.; Logan, Angus W. J.; Claytor, Kevin; Feng, Yesu; Huhn, William; Blüm, Volker; Malcolmson, Steven J.; Chekmenev, Eduard Y.; Wang, Qiu; Warren, Warren S.

doi:10.1126/sciadv.1501438

Cited by 204 publications

(418 citation statements)

References 74 publications

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“…We are currently using this approach to optimally polarize the 13 C and 15 N nuclei of a range of substrates with long magnetization lifetimes. It should be noted that in recent reports hyperpolarized 15 N and 1 H NMR signals can be detected over 15 min after their creation by harnessing SABRE in conjunction with long-lived singlet states, which reflects a further route to extend this approach (43,44).…”

Section: Discussionmentioning

confidence: 99%

Delivering strong ¹ H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Rayner

Burns

Olaru

et al. 2017

Proc. Natl. Acad. Sci. U.S.A.

128

207

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Hyperpolarization turns typically weak NMR and MRI responses into strong signals so that ordinarily impractical measurements become possible. The potential to revolutionize analytical NMR and clinical diagnosis through this approach reflect this area's most compelling outcomes. Methods to optimize the low-cost parahydrogen-based approach signal amplification by reversible exchange with studies on a series of biologically relevant nicotinamides and methyl nicotinates are detailed. These procedures involve specific 2 H labeling in both the agent and catalyst and achieve polarization lifetimes of ca. 2 min with 50% polarization in the case of methyl-4,6-d 2 -nicotinate. Because a 1.5-T hospital scanner has an effective 1 H polarization level of just 0.0005% this strategy should result in compressed detection times for chemically discerning measurements that probe disease. To demonstrate this technique's generality, we exemplify further studies on a range of pyridazine, pyrimidine, pyrazine, and isonicotinamide analogs that feature as building blocks in biochemistry and many disease-treating drugs.

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Section: Discussionmentioning

confidence: 99%

Delivering strong ¹ H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Rayner

Burns

Olaru

et al. 2017

Proc. Natl. Acad. Sci. U.S.A.

128

207

View full text Add to dashboard Cite

show abstract

“…However, the range of hyperpolarization applications is restricted by the finite lifetime of the enhanced magnetization, which is normally limited by T 1 . The use of LLS offers a promising means to transcend this limitation [9,[25][26][27][28].…”

Section: Introductionmentioning

confidence: 99%

Long-lived nuclear spin states in monodeuterated methyl groups

Elliott

Brown

Dumez

et al. 2016

Phys. Chem. Chem. Phys.

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It is possible to access long-lived nuclear singlet order in monodeuterated methyl groups, in the case that a significant chemical shift difference exists between the CH 2 D protons. This occurs when the local environment is chiral, and the CH 2 D rotamers have different populations. An experimental demonstration is presented for the case of N-CH 2 D-2-methylpiperidine. The ratio of the singlet relaxation time constant T S to the longitudinal relaxation time constant T 1 is found to be equal to 3.1 ± 0.1, over a wide range of temperatures, solvents, and magnetic fields. The longest observed value of T S approaches 1 minute. The relaxation mechanisms of the long-lived state are discussed, and a modified model of the CH 2 D geometry is proposed to explain the observed ratio of T S to T 1 .

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“…In the conventional PHIP experiments the pure singlet state can be kept after hydrogenation only under the action of a strong RF-field, 12 but in photo-PHIP experiments the singlet state is generated after a single laser shot with high purity. 8 Current applications of pure singlet states are mainly optimization of generation of hyperpolarization in PHIP related experiments, [13][14][15] and storage of hyperpolarization in long-lived spin states (LLS) 16,17 and in long-lived coherences (LLC). 18 In this contribution we are (1) giving an amendment to the interpretation of photo-PHIP experiments as it was given in the original paper, 8 as well as (2) a generalization of the theoretical description of spin evolution of photo-PHIP in weakly coupled multi-spin systems 19 that is confirmed by experimental observation.…”

Section: Introductionmentioning

confidence: 99%

Coherent evolution of singlet spin states in PHOTO-PHIP and M2S experiments

Pravdivtsev

Yurkovskaya

Петров

et al. 2017

Phys. Chem. Chem. Phys.

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A consistent theoretical description of the spin dynamics underlying photo-PHIP (para-hydrogen induced polarization) experiments is given and validated experimentally: spectra from zero-quantum coherence (ZQC) ''in-phase'' and ''out-of-phase'' were obtained and evolution of ZQCs and the proposed and the fundamental principles of ZQ spectroscopy are formulated. This investigation opens a new way to obtain information on the sign of J-couplings using ZQ spectroscopy. The proposed method is also useful to track the redistribution of the singlet spin population in various PHIP related experiments, which is essential for efficient polarization transfer to target nuclei.

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Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal ¹⁵ N ₂ -diazirine molecular tags

Abstract: More than 10,000-fold enhanced magnetic resonance signals with >20-min signal lifetimes on universal biomolecular markers.

Cited by 204 publications

References 74 publications

Delivering strong ¹ H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Delivering strong ¹ H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Long-lived nuclear spin states in monodeuterated methyl groups

Coherent evolution of singlet spin states in PHOTO-PHIP and M2S experiments

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Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal 15 N 2 -diazirine molecular tags

Abstract: More than 10,000-fold enhanced magnetic resonance signals with >20-min signal lifetimes on universal biomolecular markers.

Cited by 204 publications

References 74 publications

Delivering strong 1 H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Delivering strong 1 H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Long-lived nuclear spin states in monodeuterated methyl groups

Coherent evolution of singlet spin states in PHOTO-PHIP and M2S experiments

Contact Info

Product

Resources

About

Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal ¹⁵ N ₂ -diazirine molecular tags

Delivering strong ¹ H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Delivering strong ¹ H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange