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Conformational studies of β-D-1,4′-xylan

✍ Scribed by P. R. Sundararajan; V. S. R. Rao

Publisher
Wiley (John Wiley & Sons)
Year
1969
Tongue
English
Weight
369 KB
Volume
8
Category
Article
ISSN
0006-3525

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✦ Synopsis

The nonbonded interaction energy was computed for xylobiose and xylan as a function of the dihedral angles (+,$). The energy maps indicate that interactions higher than the second neighbor are negligible. Of the four possibilities, the left-handed helical conformation with (+,$) = (63",25") is of the lowest energy. The hydrogen bond search and the energy maps reveal that the xylan helix is stabilized mainly by van der Waals forces. The allowed region map shows that the freedom of rotation of the monomer units in cellulose is more restricted than that of the monomer units in xylan, became of the presence of the -CH,OH group in the former. The intramolecular hydrogen bond of the 0 6 --' 0 8 ' type is stronger in cellulose.

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