Nanomechanical control of glucopyranose rotamers.

Journal Article, Research Support, Non-U.S. Gov't, Research Support, U.S. Gov't, Non-P.H.S.

Single molecules of beta-1 --> 6-linked d-glucose polysaccharides, when stretched in an atomic force microscope, display a hookean-like elasticity unusual for polymers. High-level ab initio calculations and microsecond-scale molecular dynamics simulations reveal that this elasticity is governed by force-induced rotations of the exocyclic group on the glucopyranose rings from their short and less energetic gt and gg conformations to the extended and high-energy tg state. These observations indicate that a simple stretching of 1 --> 6-linked glucose polysaccharides provide a unique means to control glucopyranose rotamer populations.

Full Text

Duke Authors

Cited Authors

  • Lee, G; Nowak, W; Jaroniec, J; Zhang, Q; Marszalek, PE

Published Date

  • May 26, 2004

Published In

Volume / Issue

  • 126 / 20

Start / End Page

  • 6218 - 6219

PubMed ID

  • 15149204

International Standard Serial Number (ISSN)

  • 0002-7863

Digital Object Identifier (DOI)

  • 10.1021/ja0491984

Language

  • eng

Citation Source

  • PubMed