Journal
GLYCOBIOLOGY
Volume 19, Issue 1, Pages 52-67Publisher
OXFORD UNIV PRESS INC
DOI: 10.1093/glycob/cwn103
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Funding
- Biotechnology and Biological Sciences Research Council
- Wellcome Trust
- Medical Research Council
- North West Cancer Research Fund
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Principal component analysis (PCA) is a method of simplifying complex datasets to generate a lower number of parameters, while retaining the essential differences and allowing objective comparison of large numbers of datasets. Glycosaminoglycans (GAGs) are a class of linear sulfated carbohydrates with diverse sequences and consequent complex conformation and structure. Here, PCA is applied to three problems in GAG research: (i) distinguishing origins of heparin preparations, (ii) structural analysis of heparin derivatives, and (iii) classification of chondroitin sulfates (CS). The results revealed the following. (i) PCA of heparin C-13 NMR spectra allowed their origins to be distinguished and structural differences were identified. (ii) Analysis of the information-rich H-1 and C-13 NMR spectra of a series of systematically modified heparin derivatives uncovered underlying properties. These included the presence of interactions between residues, providing evidence that a degree of degeneracy exists in linkage geometry and that a different degree of variability exists for the two types of glycosidic linkage. The relative sensitivity of each position (C or H nucleus) in the disaccharide repeating unit to changes in O-, N-sulfation and N-acetylation was also revealed. (iii) Analysis of the H-1 NMR and CD spectra of a series of CS samples from different origins allowed their structural classification and highlighted the power of employing complementary spectroscopic methods in concert with PCA.
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