Schuyler Adam D, Maciejewski Mark W, Stern Alan S, Hoch Jeffrey C
Department of Molecular Biology and Biophysics, UConn Health, 263 Farmington Avenue, Farmington, CT 06030-3305, USA.
Department of Molecular Biology and Biophysics, UConn Health, 263 Farmington Avenue, Farmington, CT 06030-3305, USA.
J Magn Reson. 2015 May;254:121-30. doi: 10.1016/j.jmr.2015.02.015. Epub 2015 Mar 10.
Nonuniform sampling (NUS) in multidimensional NMR permits the exploration of higher dimensional experiments and longer evolution times than the Nyquist Theorem practically allows for uniformly sampled experiments. However, the spectra of NUS data include sampling-induced artifacts and may be subject to distortions imposed by sparse data reconstruction techniques, issues not encountered with the discrete Fourier transform (DFT) applied to uniformly sampled data. The characterization of these NUS-induced artifacts allows for more informed sample schedule design and improved spectral quality. The DFT-Convolution Theorem, via the point-spread function (PSF) for a given sampling scheme, provides a useful framework for exploring the nature of NUS sampling artifacts. In this work, we analyze the PSFs for a set of specially constructed NUS schemes to quantify the interplay between randomization and dimensionality for reducing artifacts relative to uniformly undersampled controls. In particular, we find a synergistic relationship between the indirect time dimensions and the "quadrature phase dimension" (i.e. the hypercomplex components collected for quadrature detection). The quadrature phase dimension provides additional degrees of freedom that enable partial-component NUS (collecting a subset of quadrature components) to further reduce sampling-induced aliases relative to traditional full-component NUS (collecting all quadrature components). The efficacy of artifact reduction is exponentially related to the dimensionality of the sample space. Our results quantify the utility of partial-component NUS as an additional means for introducing decoherence into sampling schemes and reducing sampling artifacts in high dimensional experiments.
多维核磁共振中的非均匀采样(NUS)能够实现比奈奎斯特定理实际允许的均匀采样实验更高维度的实验探索和更长的演化时间。然而,NUS数据的谱图包含采样诱导的伪影,并且可能会受到稀疏数据重建技术所带来的失真影响,而应用于均匀采样数据的离散傅里叶变换(DFT)则不会遇到这些问题。对这些由NUS引起的伪影进行表征有助于更合理地设计采样方案并提高谱图质量。通过给定采样方案的点扩散函数(PSF),DFT卷积定理为探索NUS采样伪影的本质提供了一个有用的框架。在这项工作中,我们分析了一组特殊构建的NUS方案的PSF,以量化随机化和维度之间的相互作用,从而相对于均匀欠采样对照减少伪影。特别是,我们发现间接时间维度与“正交相位维度”(即用于正交检测收集的超复数分量)之间存在协同关系。正交相位维度提供了额外的自由度,使得部分分量NUS(收集正交分量的一个子集)相对于传统的全分量NUS(收集所有正交分量)能够进一步减少采样诱导的混叠。伪影减少的效果与样本空间的维度呈指数关系。我们的结果量化了部分分量NUS作为一种额外手段在采样方案中引入退相干并减少高维实验中采样伪影的效用。