Publications [#311650] of Brian E. Coggins
search PubMed.Papers Published
- Reardon, PN; Marean-Reardon, CL; Bukovec, MA; Coggins, BE; Isern, NG, 3D TOCSY-HSQC NMR for Metabolic Flux Analysis Using Non-Uniform Sampling.,
Anal Chem, vol. 88 no. 5
(March, 2016),
pp. 2825-2831 [doi] .
(last updated on 2023/06/01)Abstract:
(13)C-Metabolic Flux Analysis ((13)C-MFA) is rapidly being recognized as the authoritative method for determining fluxes through metabolic networks. Site-specific (13)C enrichment information obtained using NMR spectroscopy is a valuable input for (13)C-MFA experiments. Chemical shift overlaps in the 1D or 2D NMR experiments typically used for (13)C-MFA frequently hinder assignment and quantitation of site-specific (13)C enrichment. Here we propose the use of a 3D TOCSY-HSQC experiment for (13)C-MFA. We employ Non-Uniform Sampling (NUS) to reduce the acquisition time of the experiment to a few hours, making it practical for use in (13)C-MFA experiments. Our data show that the NUS experiment is linear and quantitative. Identification of metabolites in complex mixtures, such as a biomass hydrolysate, is simplified by virtue of the (13)C chemical shift obtained in the experiment. In addition, the experiment reports (13)C-labeling information that reveals the position specific labeling of subsets of isotopomers. The information provided by this technique will enable more accurate estimation of metabolic fluxes in large metabolic networks.