Ab initio and NMR studies on the effect of hydration on the chemical shift of hydroxy protons in carbohydrates using disaccharides and water/methanol/ethers as model systems

Density functional theory (DFT) and Hartree-Fock (HF) quantum mechanical calculations have been performed on the disaccharides, [small beta]-l-Fucp-(1[rightward arrow]4)-[small alpha]-d-Galp-OMe, [small beta]-l-Fucp-(1[rightward arrow]4)-[small alpha]-d-Glcp-OMe, and [small beta]-l-Fucp-(1[rightward...

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Veröffentlicht in:	Organic & biomolecular chemistry 2004-01, Vol.2 (2), p.200-205
Hauptverfasser:	Bekiroglu, Somer, Sandström, Anders, Kenne, Lennart, Sandström, Corine
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbohydrate Conformation Disaccharides - chemistry Ethers - chemistry Magnetic Resonance Spectroscopy Methanol - chemistry Models, Molecular Oxygen - chemistry Protons Solvents - chemistry Water - chemistry
Online-Zugang:	Volltext
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