Nuclear Cross-Effect NMR

Dynamic nuclear polarization (DNP) has significantly enhanced the sensitivity of nuclear magnetic resonance (NMR) experiments. While Overhauser DNP has a well-established nuclear counterpart, the nuclear Overhauser effect (NOE), the cross-effect DNP has traditionally been considered as an exclusively electron-mediated process. Here, we present the first evidence of a nuclear counterpart to the cross effect, termed the nuclear cross effect, which mediates polarization transfer in a three-spin nuclear system. The effect was experimentally verified using single-crystal <sup>13</sup>C-<sup>15</sup>N-labeled glycine, with results consistent with both analytical theory and numerical simulations. The experimental realization of the pulsed nuclear cross-effect in this work provides new insights into its theoretical foundations, addressing challenges posed by hardware limitations and the absence of a suitable model system for pulsed cross-effect DNP. Furthermore, the pulsed cross-effect mechanism has the potential to advance enhanced NMR applications in various fields.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2025-10-03
DOI
https://doi.org/10.1021/acs.jpclett.5c02565
Primary Topic
NMR spectroscopy and applications
Type
article
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article

Nuclear Cross-Effect NMR

Zhenfeng Pang, Kong Ooi Tan, Jake Lumsden
The Journal of Physical Chemistry Letters
NMR spectroscopy and applications
article

Nuclear Cross-Effect NMR

Zhenfeng Pang, Kong Ooi Tan, Jake Lumsden
article en

Abstract

Dynamic nuclear polarization (DNP) has significantly enhanced the sensitivity of nuclear magnetic resonance (NMR) experiments. While Overhauser DNP has a well-established nuclear counterpart, the nuclear Overhauser effect (NOE), the cross-effect DNP has traditionally been considered as an exclusively electron-mediated process. Here, we present the first evidence of a nuclear counterpart to the cross effect, termed the nuclear cross effect, which mediates polarization transfer in a three-spin nuclear system. The effect was experimentally verified using single-crystal <sup>13</sup>C-<sup>15</sup>N-labeled glycine, with results consistent with both analytical theory and numerical simulations. The experimental realization of the pulsed nuclear cross-effect in this work provides new insights into its theoretical foundations, addressing challenges posed by hardware limitations and the absence of a suitable model system for pulsed cross-effect DNP. Furthermore, the pulsed cross-effect mechanism has the potential to advance enhanced NMR applications in various fields.

The Journal of Physical Chemistry LettersVol. 16(41)
Centre National de la Recherche Scientifique (FR), Chimie ParisTech - PSL (FR), Université Paris Sciences et Lettres (FR), Sorbonne Université (FR), École Normale Supérieure (BI), Laboratoire de Chimie Physique (FR), Chimie Physique et Chimie du Vivant (FR)
Openalex Percentile: Top 88%
NMR spectroscopy and applications
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