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在扩展的耦合范围内将单重态序稳健地转化为异核磁化。

Robust transformation of singlet order into heteronuclear magnetisation over an extended coupling range.

作者信息

Bengs Christian, Dagys Laurynas, Levitt Malcolm H

机构信息

School of Chemistry, Southampton University, University Road, SO17 1BJ, UK.

出版信息

J Magn Reson. 2020 Dec;321:106850. doi: 10.1016/j.jmr.2020.106850. Epub 2020 Oct 14.

Abstract

Several important NMR procedures involve the conversion of nuclear singlet order into heteronuclear magnetisation, including some experiments involving long-lived spin states and parahydrogen-induced hyperpolarisation. However most existing sequences suffer from a limited range of validity or a lack of robustness against experimental imperfections. We present a new radio-frequency scheme for the transformation of the singlet order of a chemically-equivalent homonuclear spin pair into the magnetisation of a heteronuclear coupling partner. The proposed radio-frequency (RF) scheme is called gS2hM (generalized singlet-to-heteronuclear magnetisation) and has good compensation for common experimental errors such as RF and static field inhomogeneities. The sequence retains its robustness for homonuclear spin pairs in the intermediate coupling regime, characterised by the in-pair coupling being of the same order of magnitude as the difference between the out-of-pair couplings. This is a substantial improvement to the validity range of existing sequences. Analytical solutions for the pulse sequence parameters are provided. Experimental results are shown for two test cases.

摘要

几种重要的核磁共振(NMR)程序涉及将核单重态序转化为异核磁化,包括一些涉及长寿命自旋态和仲氢诱导超极化的实验。然而,大多数现有序列存在有效性范围有限或对实验缺陷缺乏鲁棒性的问题。我们提出了一种新的射频方案,用于将化学等价的同核自旋对的单重态序转化为异核耦合伙伴的磁化。所提出的射频(RF)方案称为gS2hM(广义单重态到异核磁化),对诸如射频和静磁场不均匀性等常见实验误差具有良好的补偿作用。该序列对于处于中间耦合区域的同核自旋对保持其鲁棒性,其特征是对内耦合与对外耦合之间的差值具有相同的数量级。这是对现有序列有效性范围的实质性改进。提供了脉冲序列参数的解析解。给出了两个测试案例的实验结果。

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