Weitzel, Alexander and Samol, Claudia and Oefner, Peter J. and Gronwald, Wolfram (2020) Robust Metabolite Quantification from J-Compensated 2D H-1-C-13-HSQC Experiments. METABOLITES, 10 (11): 449. ISSN , 2218-1989
Full text not available from this repository. (Request a copy)Abstract
The spectral resolution of 2D H-1-C-13 heteronuclear single quantum coherence (H-1-C-13-HSQC) nuclear magnetic resonance (NMR) spectra facilitates both metabolite identification and quantification in nuclear magnetic resonance-based metabolomics. However, quantification is complicated by variations in magnetization transfer, which among others originate mainly from scalar coupling differences. Methods that compensate for variation in scalar coupling include the generation of calibration factors for individual signals or the use of additional pulse sequence schemes such as quantitative HSQC (Q-HSQC) that suppress the J(CH)-dependence by modulating the polarization transfer delays of HSQC or, additionally, employ a pure-shift homodecoupling approach in the 1(H) dimension, such as Quantitative, Perfected and Pure Shifted HSQC (QUIPU-HSQC). To test the quantitative accuracy of these three methods, employing a 600 MHz NMR spectrometer equipped with a helium cooled cryoprobe, a Latin-square design that covered the physiological concentration ranges of 10 metabolites was used. The results show the suitability of all three methods for the quantification of highly abundant metabolites. However, the substantially increased residual water signal observed in QUIPU-HSQC spectra impeded the quantification of low abundant metabolites located near the residual water signal, thus limiting its utility in high-throughput metabolite fingerprinting studies.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | NMR DATA; HSQC; SPECTROSCOPY; H-1; metabolomics; NMR; quantification; HSQC; Q-HSQC; QUIPU-HSQC; water suppression; cryoprobe |
| Subjects: | 500 Science > 530 Physics 600 Technology > 610 Medical sciences Medicine |
| Divisions: | Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner) Physics > Institute of Experimental and Applied Physics > Chair Professor Weiss > Group Christoph Strunk |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 08 Mar 2021 10:20 |
| Last Modified: | 08 Mar 2021 10:20 |
| URI: | https://pred.uni-regensburg.de/id/eprint/43455 |
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