Revealing Structure-Reporting Patterns of Pyruvylation Effects on <sup>13</sup> C NMR Chemical Shifts in Natural Saccharides
C chemical shifts of monosaccharides in natural glycans from the Carbohydrate Structure Database (CSDB) and analyzed them to reveal characteristic patterns of effects that can be further employed for detection and localization of pyruvate residues in carbohydrate structures. The obtained dataset was set as a reference for the statistical chemical shift prediction algorithm built in CSDB for the purpose of eliminating simulation errors originating from irrelevant reference selection due to the lack of data.
Authors
- Ksenia S. Egorova (ORCID: https://orcid.org/0000-0002-1102-2868)
- Evelina L. Zdorovenko (ORCID: https://orcid.org/0000-0001-8625-2169)
- Philip V. Toukach
- Nadezhda S. Smirnova
Institutions
- National Research University Higher School of Economics (RU)
- N.D. Zelinsky Institute of Organic Chemistry (RU)
Publication Details
- Journal
- Analytical Chemistry
- Published
- 2026-04-06
- DOI
- https://doi.org/10.1021/acs.analchem.5c06483
- Primary Topic
- Glycosylation and Glycoproteins Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Russian Science Foundation