Formalism for hypercomplex multidimensional NMR employing partial-component subsampling.

Formalism for hypercomplex multidimensional NMR employing partial-component subsampling.
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DOI:
10.1016/j.jmr.2012.11.019
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发表时间:
2013-02
影响因子:
2.2
通讯作者:
Hoch, Jeffrey C.
Hoch, Jeffrey C.
中科院分区:
化学3区
文献类型:
--
作者:
Schuyler, Adam D.;Maciejewski, Mark W.;Stern, Alan S.;Hoch, Jeffrey C.

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多维核磁共振波谱通常采用相敏检测,当在多个维度使用时,这会导致超复杂的数据(和光谱)。非均匀采样方法在多维核磁共振中已经变得司空见惯,这使得实验时间大大减少,灵敏度提高和/或分辨率提高。为了最大限度地利用非均匀抽样,需要刻画均匀抽样数据集的谱与次抽样数据集的谱之间的关系。在这项工作中,我们构造了一个适合于表示多维核磁共振数据和部分分量非均匀采样(即数据点的超复分量被次采样)的超复数代数。这种形式导致了一种修改的DFT卷积关系,该关系涉及部分分量的超复点扩展函数集。本文提出的框架对于部分分量非均匀抽样的继续发展和适当刻画是必不可少的。
Multidimensional NMR spectroscopy typically employs phase-sensitive detection, which results in hypercomplex data (and spectra) when utilized in more than one dimension. Nonuniform sampling approaches have become commonplace in multidimensional NMR, enabling dramatic reductions in experiment time, increases in sensitivity and/or increases in resolution. In order to utilize nonuniform sampling optimally, it is necessary to characterize the relationship between the spectrum of a uniformly sampled data set and the spectrum of a subsampled data set. In this work we construct an algebra of hypercomplex numbers suitable for representing multidimensional NMR data along with partial-component nonuniform sampling (i.e. the hypercomplex components of data points are subsampled). This formalism leads to a modified DFT–convolution relationship involving a partial-component, hypercomplex point-spread function set. The framework presented here is essential for the continued development and appropriate characterization of partial-component nonuniform sampling.
DOI: 10.1007/128_2011_185
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