von Schlippenbach, Trixi and Oefner, Peter J. and Gronwald, Wolfram (2018) Systematic Evaluation of Non-Uniform Sampling Parameters in the Targeted Analysis of Urine Metabolites by H-1, H-1 2D NMR Spectroscopy. SCIENTIFIC REPORTS, 8: 4249. ISSN 2045-2322,
Full text not available from this repository. (Request a copy)Abstract
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 mu M) 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-1, H-1-TOCSY and H-1, H-1-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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MULTIDIMENSIONAL NMR; COMPLEX-MIXTURES; RECONSTRUCTION; METABOLOMICS; ACQUISITION; SPECTRA; INFORMATION; DESIGN; PLASMA; |
| Subjects: | 600 Technology > 610 Medical sciences Medicine |
| Divisions: | Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner) |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 12 Mar 2020 09:23 |
| Last Modified: | 12 Mar 2020 09:23 |
| URI: | https://pred.uni-regensburg.de/id/eprint/14902 |
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