title: Novel insight into cellulose supramolecular structure through ¹³C CP-MAS NMR spectroscopy and paramagnetic relaxation enhancement.
abstract: (13)C CP-MAS NMR and paramagnetic relaxation enhancement provide novel insight into the supramolecular structure of solid cellulose I and II. Separable NMR signals associated with crystalline interiors, solvent accessible and inaccessible surfaces, as well as non-crystalline material are assigned and confirmed. For the first time solvent accessibility is evidenced and monitored through (13)C T1 NMR relaxation enhancement in paramagnetic medium. Established NMR signal assignments for cellulose I have been confirmed. Existing cellulose II resonance attributions have been modified and extended. Novel spectral fitting routines for cellulose II allow for the reproducible quantification of separable signal contributions. Results from NMR line shape analyses are straightforwardly introduced into a model for cellulose II supramolecular structure.
authors: Kompetenzzentrum Holz GmbH, St.-Peter-Strasse 25, 4021 Linz, Austria.
authors: Gerhard
authors: G
authors: Zuckerstätter
authors: Nicoleta
authors: N
authors: Terinte
authors: Herbert
authors: H
authors: Sixta
authors: Kurt Christian
authors: KC
authors: Schuster
mesh_terms: D000143:Acids / Q000737:chemistry; D002482:Cellulose / Q000032:analysis / Q000737:chemistry*; D019295:Computational Biology / Q000379:methods; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods*; D006868:Hydrolysis; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D015394:Molecular Structure; D012997:Solvents / Q000737:chemistry; D013997:Time Factors; D014867:Water / Q000737:chemistry
chemical_list: D000143:Acids; D012997:Solvents; D014867:Water; D002482:Cellulose