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arXiv 1407.6262quant-ph
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利用金刚石中的氮空位(Nitrogen-vacancy, NV)中心解析单分子结构

Resolving single molecule structures with nitrogen-vacancy centers in diamond

Matthias Kost, Jianming Cai, Martin B. Plenio

AI总结:

本研究提出基于金刚石NV中心的二维核磁共振波谱理论方案,结合强耦合调控与奇异值阈值化矩阵补全算法,可在欠采样下识别谱峰,为单分子结构解析提供新途径。

摘要:

我们提出了基于金刚石中与靶核强耦合的氮空位(Nitrogen-vacancy, NV)中心的二维核磁共振波谱协议的理论方案。连续微波与射频驱动场结合磁场梯度,可在NV自旋传感器与选定原子核之间实现Hartmann-Hahn共振,以控制核自旋并随后测量其极化动力学。NV传感器与原子核之间的强耦合有助于实现核自旋的相干控制,同时放宽了对核自旋极化的要求,从而获得强信号并缩短测量时间。此外,我们采用奇异值阈值化矩阵补全算法(singular value thresholding matrix completion algorithm),进一步减少所需数据量,以在强欠采样数据中识别光谱的关键特征。我们通过将该协议应用于浅注入NV中心来验证这一组合方法的潜力:该NV中心作用于小分子氨基酸丙氨酸(alanine),靶向特定氢原子核并识别其光谱中的对应峰。

英文摘要:

We present theoretical proposals for two-dimensional nuclear magnetic resonance spectroscopy protocols based on Nitrogen-vacancy (NV) centers in diamond that are strongly coupled to the target nuclei. Continuous microwave and radio-frequency driving fields together with magnetic field gradients achieve Hartmann-Hahn resonances between NV spin sensor and selected nuclei for control of nuclear spins and subsequent measurement of their polarization dynamics. The strong coupling between the NV sensor and the nuclei facilitates coherence control of nuclear spins and relaxes the requirement of nuclear spin polarization to achieve strong signals and therefore reduced measurement times. Additionally, we employ a singular value thresholding matrix completion algorithm to further reduce the amount of data required to permit the identification of key features in the spectra of strongly sub-sampled data. We illustrate the potential of this combined approach by applying the protocol to a shallowly implanted NV center addressing a small amino acid, alanine, to target specific hydrogen nuclei and to identify the corresponding peaks in their spectra.

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