Institute of Functional Genomics, University of Regensburg, Am BioPark 9, 93053, Regensburg, Germany.
Sci Rep. 2018 Mar 9;8(1):4249. doi: 10.1038/s41598-018-22541-0.
Non-uniform sampling (NUS) allows the accelerated acquisition of multidimensional NMR spectra. The aim of this contribution was the systematic evaluation of the impact of various quantitative NUS parameters on the accuracy and precision of 2D NMR measurements of urinary metabolites. Urine aliquots spiked with varying concentrations (15.6-500.0 µM) of tryptophan, tyrosine, glutamine, glutamic acid, lactic acid, and threonine, which can only be resolved fully by 2D NMR, were used to assess the influence of the sampling scheme, reconstruction algorithm, amount of omitted data points, and seed value on the quantitative performance of NUS in H,H-TOCSY and H,H-COSY45 NMR spectroscopy. Sinusoidal Poisson-gap sampling and a compressed sensing approach employing the iterative re-weighted least squares method for spectral reconstruction allowed a 50% reduction in measurement time while maintaining sufficient quantitative accuracy and precision for both types of homonuclear 2D NMR spectroscopy. Together with other advances in instrument design, such as state-of-the-art cryogenic probes, use of 2D NMR spectroscopy in large biomedical cohort studies seems feasible.
非均匀采样（NUS）允许对多维 NMR 光谱进行加速采集。本研究的目的是系统评估各种定量 NUS 参数对尿液代谢物的 2D NMR 测量的准确性和精密度的影响。使用尿液等分试样，其中加入了不同浓度（15.6-500.0 μM）的色氨酸、酪氨酸、谷氨酰胺、谷氨酸、乳酸和苏氨酸，这些物质只能通过 2D NMR 完全分辨，以评估采样方案、重建算法、省略数据点的数量和种子值对 H,H-TOCSY 和 H,H-COSY45 NMR 光谱中 NUS 的定量性能的影响。正弦形泊松间隙采样和压缩感知方法，采用迭代重加权最小二乘法进行光谱重建，在保持两种类型的同核 2D NMR 光谱足够定量准确性和精密度的同时，将测量时间缩短了 50%。结合仪器设计的其他进步，如最先进的低温探头，在大型生物医学队列研究中使用 2D NMR 光谱似乎是可行的。
Zotero 插件
