Reference

The selection of NMR spectral features leading to the optimum classification of residue types in peracetylated oligosaccharide derivatives

The selection of NMR spectral features leading to the optimum classification of residue types in peracetylated oligosaccharide derivatives. Okide, George; Weber, Denise S.; Goux, Warren J. (Dep. 68601-74-1 and 55797-38-1 are also occured in this study. Chem., Univ. Texas, Dallas, Richardson, TX 75083-0688, USA). J. Magn. Reson., 96(3), 526-40 (English) 1992. CODEN: JOMRA4. ISSN: 0022-2364. DOCUMENT TYPE: Journal CA Section: 33 (Carbohydrates) Homo- and heteronuclear correlation spectroscopies have been used to completely assign the pyranosyl-ring-proton, the acetoxyl-carbonyl-carbon, and the acetoxyl-methyl-proton resonances of a variety of peracetylated a-mannosyl and b-N-acetylglucosaminyl contg. di- and trisaccharide derivs. The SIMCA class modeling algorithm and principal-component (PC) anal. were then used as a means of selecting from the data a subset of chem. shifts and coupling consts. best characterizing residue types contained in new and previously assigned parent structures. PC plots of the data using as a basis an optimized set of variables show the potential for the classification of new data according to the types of glycosidic linkages a residue makes to its nearest-neighbor residues. .