Next Article in Journal
Modulatory Effect of Nicotinic Acid on the Metabolism of Caco-2 Cells Exposed to IL-1β and LPS
Previous Article in Journal
Metabolomics and Multi-Omics Integration: A Survey of Computational Methods and Resources
Previous Article in Special Issue
Untargeted Metabolomics and Steroid Signatures in Urine of Male Pattern Baldness Patients after Finasteride Treatment for a Year
Open AccessArticle

Evaluation of Non-Uniform Sampling 2D 1H–13C HSQC Spectra for Semi-Quantitative Metabolomics

1
Olaris, Inc., Waltham, MA 02451, USA
2
Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA
3
Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA
*
Author to whom correspondence should be addressed.
Metabolites 2020, 10(5), 203; https://doi.org/10.3390/metabo10050203
Received: 20 March 2020 / Revised: 4 May 2020 / Accepted: 12 May 2020 / Published: 16 May 2020
(This article belongs to the Special Issue New Tools for Metabolomics)
Metabolomics is the comprehensive study of metabolism, the biochemical processes that sustain life. By comparing metabolites between healthy and disease states, new insights into disease mechanisms can be uncovered. NMR is a powerful analytical method to detect and quantify metabolites. Standard one-dimensional (1D) 1H-NMR metabolite profiling is informative but challenged by significant chemical shift overlap. Multi-dimensional NMR can increase resolution, but the required long acquisition times lead to limited throughput. Non-uniform sampling (NUS) is a well-accepted mode of acquiring multi-dimensional NMR data, enabling either reduced acquisition times or increased sensitivity in equivalent time. Despite these advantages, the technique is not widely applied to metabolomics. In this study, we evaluated the utility of NUS 1H–13C heteronuclear single quantum coherence (HSQC) for semi-quantitative metabolomics. We demonstrated that NUS improved sensitivity compared to uniform sampling (US). We verified that the NUS measurement maintains linearity, making it possible to detect metabolite changes across samples and studies. Furthermore, we calculated the lower limit of detection and quantification (LOD/LOQ) of common metabolites. Finally, we demonstrate that the measurements are repeatable on the same system and across different systems. In conclusion, our results detail the analytical capability of NUS and, in doing so, empower the future use of NUS 1H–13C HSQC in metabolomic studies. View Full-Text
Keywords: metabolomics; NUS NMR; reproducibility metabolomics; NUS NMR; reproducibility
Show Figures

Figure 1

MDPI and ACS Style

Zhang, B.; Powers, R.; O’Day, E.M. Evaluation of Non-Uniform Sampling 2D 1H–13C HSQC Spectra for Semi-Quantitative Metabolomics. Metabolites 2020, 10, 203. https://doi.org/10.3390/metabo10050203

AMA Style

Zhang B, Powers R, O’Day EM. Evaluation of Non-Uniform Sampling 2D 1H–13C HSQC Spectra for Semi-Quantitative Metabolomics. Metabolites. 2020; 10(5):203. https://doi.org/10.3390/metabo10050203

Chicago/Turabian Style

Zhang, Bo; Powers, Robert; O’Day, Elizabeth M. 2020. "Evaluation of Non-Uniform Sampling 2D 1H–13C HSQC Spectra for Semi-Quantitative Metabolomics" Metabolites 10, no. 5: 203. https://doi.org/10.3390/metabo10050203

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Search more from Scilit
 
Search
Back to TopTop