Fast acquisition of NMR spectra using Fourier transform of non-equispaced data
Fast acquisition of NMR spectra using Fourier transform of non-equispaced data
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DOI：
10.1007/s10858-005-5977-5
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发表时间：
2005-06-01
影响因子：
2.7
通讯作者：
Marion, D
中科院分区：
文献类型：
--
作者：
Marion, D
快速获取高分辨率的2D和3D NMR谱对于研究生物大分子是必不可少的。为了最大限度地减少实验时间，提出了一种非线性抽样方案，用于多维实验的间接维数。这些数据可以使用Dutt和Rokhlin（Appl.Comp.Harm. Anal. 1995，2，85-100）用于非等间距数据的快速傅立叶变换。示出了H-1-N-15 HSQC光谱的示例，其中拥挤的相关峰可以使用非线性采集来解决。模拟数据已被用来分析由拉格朗日插值产生的伪影。与非线性处理方法相比，该算法简单，不需要用户调整参数，具有很强的鲁棒性。
Rapid acquisition of high-resolution 2D and 3D NMR spectra is essential for studying biological macromolecules. In order to minimize the experimental time, a non-linear sampling scheme is proposed for the indirect dimensions of multidimensional experiments. These data can be processed using the algorithm proposed by Dutt and Rokhlin (Appl. Comp. Harm. Anal. 1995, 2, 85-100) for fast Fourier transforms of non equispaced data. Examples of H-1-N-15 HSQC spectra are shown, where crowded correlation peaks can be resolved using non-linear acquisition. Simulated data have been used to analyze the artefacts produced by the Lagrange interpolation. As compared to non-linear processing methods, this algorithm is simple and highly robust since no parameters need to be adjusted by the user.