Application of random coherence order selection in gradient-enhanced multidimensional NMR
Application of random coherence order selection in gradient-enhanced multidimensional NMR
复制标题
随机相干阶次选择在梯度增强多维核磁共振中的应用
DOI：
10.1088/1742-6596/699/1/012004
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发表时间：
2016
期刊：
影响因子：
--
通讯作者：
Bostock M
中科院分区：
文献类型：
--
作者：
Bostock M
多维NMR的发展对许多应用至关重要，例如在生物分子的高分辨率结构研究中。多维技术能够在几个维度上分离NMR信号，提高信号分辨率，同时还允许识别新的连通性。然而，这些优势是以巨大的成本为代价的。傅立叶变换定理要求采集规则间隔点的网格以满足奈奎斯特准则，而频率鉴别和纯相位谱的采集要求在每个间接（非采集）维度中采集每个时间点的两个正交分量，向必须采集的自由感应衰减的数量添加因子2N-1，其中N是维度的数量。压缩感知（CS）的最小化与非均匀采样（NUS）相结合，已被证明是非常成功的克服奈奎斯特标准。先前，最大熵重构也已用于克服频率鉴别的限制，处理在给定时间间隔仅用一个正交分量采集的数据，称为随机相位检测（RPD），允许每个间接维度的点数减少两倍（Maciebranski等人，2011 PNAS 108 16640）。然而，虽然这种方法可以很容易地应用于正交分量作为幅度调制数据采集的情况，但相同的原理不容易扩展到相位调制（P/N型）实验，其中数据以exp（iωt）或exp（-iωt）的形式采集，并且构成了现代NMR中使用的许多多维实验。在这里，我们证明了修改的CS-1-范数的方法，允许随机相干顺序选择（RCS）的相位调制实验，我们概括的命名为随机正交检测（RQD）的RCS和RPD。通过这种方法，RQD的能力可以扩展到现代NMR光谱学可用的全套实验，允许所有间接维度的分辨率增强;单独或与NUS结合，RQD可以用于提高实验分辨率或缩短实验时间，这对现代NMR进行的具有挑战性的应用有相当大的好处。
Development of multidimensional NMR is essential to many applications, for example in high resolution structural studies of biomolecules. Multidimensional techniques enable separation of NMR signals over several dimensions, improving signal resolution, whilst also allowing identification of new connectivities. However, these advantages come at a significant cost. The Fourier transform theorem requires acquisition of a grid of regularly spaced points to satisfy the Nyquist criterion, while frequency discrimination and acquisition of a pure phase spectrum require acquisition of both quadrature components for each time point in every indirect (non-acquisition) dimension, adding a factor of 2 N-1 to the number of free-induction decays which must be acquired, where N is the number of dimensions. Compressed sensing (CS) ℓ 1-norm minimisation in combination with non-uniform sampling (NUS) has been shown to be extremely successful in overcoming the Nyquist criterion. Previously, maximum entropy reconstruction has also been used to overcome the limitation of frequency discrimination, processing data acquired with only one quadrature component at a given time interval, known as random phase detection (RPD), allowing a factor of two reduction in the number of points for each indirect dimension (Maciejewski et al. 2011 PNAS 108 16640). However, whilst this approach can be easily applied in situations where the quadrature components are acquired as amplitude modulated data, the same principle is not easily extended to phase modulated (P-/N-type) experiments where data is acquired in the form exp (iωt) or exp (-iωt), and which make up many of the multidimensional experiments used in modern NMR. Here we demonstrate a modification of the CS ℓ 1-norm approach to allow random coherence order selection (RCS) for phase modulated experiments; we generalise the nomenclature for RCS and RPD as random quadrature detection (RQD). With this method, the power of RQD can be extended to the full suite of experiments available to modern NMR spectroscopy, allowing resolution enhancements for all indirect dimensions; alone or in combination with NUS, RQD can be used to improve experimental resolution, or shorten experiment times, of considerable benefit to the challenging applications undertaken by modern NMR.
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DOI：
10.1016/j.pnmrs.2009.07.002
发表时间：
2009-11-01
影响因子：
6.1
作者：
Kim, Hak Jun;Howell, Stanley C.;Van Horn, Wade D.;Jeon, Young Ho;Sanders, Charles R.
通讯作者：
Sanders, Charles R.
影响因子：
2.2
作者：
HOCH, JC;STERN, AS;JOHNSTONE, IM
通讯作者：
JOHNSTONE, IM
影响因子：
15
作者：
Matsuki Y;Eddy MT;Herzfeld J
通讯作者：
Herzfeld J
应用相敏二维相关光谱 (COSY) 测量蛋白质中的 (1)H-(1)H 自旋-自旋耦合常数。
影响因子：
3.1
作者：
D. Marion;K. Wüthrich
通讯作者：
K. Wüthrich
DOI：
10.1073/pnas.0403529101
发表时间：
2004-06-29
影响因子：
11.1
作者：
Atreya, HS;Szyperski, T
通讯作者：
Szyperski, T