Antisymmetric Couplings Enable Direct Observation of Chirality in Nuclear Magnetic Resonance Spectroscopy

King, Jonathan P.; Sjolander, Tobias F.; Blanchard, John W.

doi:10.1021/acs.jpclett.6b02653

Cited by 25 publications

(17 citation statements)

References 41 publications

(103 reference statements)

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“…The gradiometric technique is not restricted just to the detection of NMR, but also opens up avenues of investigations of samples that generate magnetic field gradients, such as magnetic nanoparticles used in biomolecular labelling and cell separation [41][42][43]. Moreover, recent theoretical work suggests that it is possible to measure molecular chirality and parity non-conservation effects in ZULF NMR [15,16]. Observation of such effects requires an oriented sample that can be obtained by applying a strong electric field, which creates unavoidable magnetic field noise [44].…”

Section: Discussionmentioning

confidence: 99%

“…Combining with recently developed quantumcontrol techniques [10][11][12][13][14], ZULF NMR serves as a complementary tool to conventional high-field NMR. For example, the absence of a large applied magnetic field allows for the measurement of antisymmetric spin-spin couplings, which are related to chirality [15] and have been proposed as a means for detecting molecular parity nonconservation [16]. Furthermore, ZULF NMR has been recently applied to searches for axion and axion-likeparticle dark matter [17] and the nuclear spin-gravity coupling [18].…”

Section: Introductionmentioning

confidence: 99%

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Magnetic Gradiometer for the Detection of Zero- to Ultralow-Field Nuclear Magnetic Resonance

Jiang

Picazo‐Frutos

et al. 2019

Phys. Rev. Applied

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Magnetic sensors are important for detecting nuclear magnetization signals in nuclear magnetic resonance (NMR). As a complementary analysis tool to conventional high-field NMR, zero-and ultralow-field (ZULF) NMR detects nuclear magnetization signals in the sub-microtesla regime. Current ZULF NMR systems are always equipped with high-quality magnetic shieldings to ensure that ambient magnetic field noise does not dwarf the magnetization signal. An alternative approach is to separate the magnetization signal from the noise based on their differing spatial profiles, as can be achieved using a magnetic gradiometer. Here, we present a gradiometric ZULF NMR spectrometer with a magnetic gradient noise of 17 fTrms cm −1 Hz −1/2 in the frequency range of 100-400 Hz, based on a single vapor cell (0.7×0.7×1.0 cm 3 ). With applied white magnetic-field noise, we show that the gradiometric spectrometer achieves 13-fold enhancement in the signalto-noise ratio (SNR) compared to the single-channel configuration. By reducing the influence of common-mode magnetic noise, this work enables the use of compact and low-cost magnetic shields. Gradiometric detection may also prove to be beneficial for eliminating systematic errors in ZULF-NMR experiments searching for exotic spin-dependent interactions and molecular parity violation.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Magnetic Gradiometer for the Detection of Zero- to Ultralow-Field Nuclear Magnetic Resonance

Jiang

Picazo‐Frutos

et al. 2019

Phys. Rev. Applied

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“…Furthermore, the direct detection of spin−spin coupling spectra (also called J-spectra) at zero field provides an opportunity to probe the collective effect of exchange upon two or more nuclear spins, rather than probe a single nucleus as in conventional high-field NMR. Recent advances in atomic magnetometry have facilitated studies of zero-field NMR since highly sensitive magnetic resonance instruments can be built in a way that is inexpensive and highly portable [13][14][15][16][17] .…”

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confidence: 99%

Zero-Field Nuclear Magnetic Resonance of Chemically Exchanging Systems

Barskiy

Tayler²,

Marco‐Rius³

et al. 2019

Preprint

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Zero- and ultralow-field (ZULF) nuclear magnetic resonance (NMR) is an emerging tool for precision chemical analysis. Unlike conventional (high-field) NMR, which relies on chemical shifts for molecular identification, zero-field analog reports J-spectra that depend on the nuclear spin-spin coupling topology of molecules under investigation. While chemical shifts are usually a small fraction of the resonance frequencies, J-spectra for various spin systems are completely different from each other. In this work, we use zero-field NMR to study dynamic chemical processes and investigate the influence of chemical exchange on ZULF NMR spectra. We develop a computation approach that allows quantitative calculation of ZULF NMR spectra in the presence of chemical exchange and apply it to study aqueous solutions of [15N]ammonium as a model system. In this system, proton exchange rates span more than three orders of magnitude depending on acidity (pH), as monitored by high-field and ZULF NMR. We show that chemical exchange substantially affects the J-coupled NMR spectra and, in some cases, can lead to degradation and complete disappearance of the spectral features. To demonstrate potential applications of ZULF NMR for chemistry and biomedicine, we show a ZULF NMR spectrum of [2-13C]pyruvic acid hyperpolarized via dissolution dynamic nuclear polarization (dDNP). The metabolism of pyruvate provides valuable biochemical information and its monitoring by zero-field NMR could give spectral resolution that is hard to achieve at high magnetic fields. We foresee applications of affordable and scalable ZULF NMR coupled with hyperpolarization modalities to study chemical exchange phenomena in vivo and in situations where high-field NMR detection is not possible to implement.

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“…Chiral substituent may noticeably change the permanent electric dipole l e . For an achiral molecule, l e is perpendicular to A* [eqn (9)]. The sum of the scalar products l e ÁA* of two equivalent nuclei may vanish also in a chiral system.…”

Section: Effects P Cmentioning

confidence: 99%