核交叉效应核磁共振

IF 4.6 2区 化学 Q2 CHEMISTRY, PHYSICAL
Zhenfeng Pang, Jake Lumsden, Kong Ooi Tan
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引用次数: 0

摘要

动态核极化(DNP)显著提高了核磁共振实验的灵敏度。虽然Overhauser DNP有一个完善的核对应物,即核Overhauser效应(NOE),但交叉效应DNP传统上被认为是一个完全由电子介导的过程。在这里,我们提出了交叉效应的核对应物的第一个证据,称为核交叉效应,它在三自旋核系统中介导极化转移。用13c - 15n标记的甘氨酸单晶进行了实验验证,结果与解析理论和数值模拟结果一致。本工作中脉冲核交叉效应的实验实现为其理论基础提供了新的见解,解决了硬件限制和缺乏合适的脉冲交叉效应DNP模型系统所带来的挑战。此外,脉冲交叉效应机制有潜力推进核磁共振在各个领域的应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Nuclear Cross-Effect NMR

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 13C–15N-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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来源期刊
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
期刊介绍: The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
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