The application of NMR-pattern-recognition methods to the classification of reduced, peracetylated oligosaccharide residues
| Autor: | Warren J. Goux, Denise S. Weber |
|---|---|
| Rok vydání: | 1993 |
| Předmět: |
Glycan
Magnetic Resonance Spectroscopy Stereochemistry Molecular Sequence Data Disaccharide Oligosaccharides Galactosamine Biochemistry Analytical Chemistry chemistry.chemical_compound Residue (chemistry) Peracetic Acid Structural class chemistry.chemical_classification Glucosamine Basis (linear algebra) biology business.industry Organic Chemistry Galactose Acetylation Pattern recognition Glycosidic bond General Medicine Oligosaccharide Glucose Carbohydrate Sequence chemistry Pattern recognition (psychology) biology.protein Artificial intelligence business Mannose Oxidation-Reduction |
| Zdroj: | Carbohydrate Research. 240:57-69 |
| ISSN: | 0008-6215 |
| DOI: | 10.1016/0008-6215(93)84171-2 |
| Popis: | In the present paper homo- and hetero-nuclear correlation spectroscopies have been used to assign proton and carbonyl carbon resonances of a number of reduced, paracetylated mono- and oligo-saccharide derivatives. Each of the native structures for which assignments were made represent residues or substructures typically found in N - or O -linked glycans. Using the assigned NMR parameters as a basis, residues contained in parent structures were classified according to their residue type and glycosidic substitution sites using a relatively simple K-Nearest Neighbor pattern recognition approach. The method was able to correctly assign 99% of 77 “test residues” to their correct structural class using the full set of 19 assigned parameters as a basis. Similar correlations made between data and structure were less successful when reduced variable sets selected on the basis of SIMCA optimization were used. |
| Databáze: | OpenAIRE |
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