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Conformational features of carrabiose polymers: I. Configurational statistics of κ-carrageenan

Authors
Journal
International Journal of Biological Macromolecules
0141-8130
Publisher
Elsevier
Publication Date
Volume
15
Issue
1
Identifiers
DOI: 10.1016/s0141-8130(05)80084-4
Keywords
  • κ-Carrageenan
  • Carrabiose
  • Neocarrabiose
  • Conformation
  • Configurational Statistics

Abstract

Potential energy functions evaluating both repulsive-attractive van der Waals non-bonding interactions and electrostatic interactions have been used to evaluate the conformational energies of the repeating units of the κ-carrageenan polymers. Structural parameters have been obtained by minimization MNDO procedures (MOPAC). Energy maps have been calculated for the (1–3)α- d-galactose-4-sulphate (GS) and the (1–4)-3,6-anhydro-α- d-galactose (A) residues, taking into account the conformational freedom of the sulphate group. The configurational statistics of the random coiled κ-carageenan chain have been explored, disclosing a highly flexible character, which can mainly be ascribed to the random occurrence of two different conformers of the GS-A dimeric unit.

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