Exact(8)
The robustness of the HSQC-based metabolite chemical shift database was tested with actual biological extracts.
Our method of systematic metabolite identification using an HSQC-based metabolite chemical shift database is practical.
The use of SI-labeled metabolites and an HSQC-based chemical shift database would allow the comprehensive detection of large numbers of metabolites in a metabolic network study.
An HSQC-based metabolite chemical shift database was compiled that contains only NMR spectra of standard compounds measured under standardized temperature, pH, solvent, and ionic strength conditions.
The metabolite chemical shift database was implemented with an in-house Java program which allows systematic batch identification of large numbers of metabolites by simply matching the queried observed 13C-HSQC peaks with peaks in the implemented metabolite chemical shift database.
Our concept consists of SI labeling of living plants and animals, and systematic metabolite identification using an HSQC-based metabolite chemical shift database combined with 2D and 3D NMR.
Similar(52)
The large chemical shift databases currently available help immensely to narrow peak assignments to a relatively small list of metabolites.
This, we believe, is critical for widespread use of enhanced and NMR-based blood metabolite profiling because the chemical shift databases alone are often insufficient for unambiguous assignment.
The comprehensive 51V chemical shift scale (database) for paramagnetic solids was compiled.
Another strategy for identifying metabolite signals in crude biological mixtures involves the use of a standardized chemical shift metabolomics database [34], [35].
We assigned the chemical shifts (BioMagResBank database accession number 16405) and the intra-molecular NOEs, and solved the solution structure of AT3-UIM12 in complex with Ub (Supplemental Table S1) (Protein Data Bank accession code 2KLZ).
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