title: Nanomechanical control of glucopyranose rotamers.
abstract: 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.
authors.affiliation: Department of Mechanical Engineering and Materials Science and Center for Biologically Inspired Materials and Materials Systems, Duke University, Durham, North Carolina 27708, USA.
authors.forename: Gwangrog
authors.initials: G
authors.lastname: Lee
authors.forename: Wiesław
authors.initials: W
authors.lastname: Nowak
authors.forename: Justyna
authors.initials: J
authors.lastname: Jaroniec
authors.forename: Qingmin
authors.initials: Q
authors.lastname: Zhang
authors.forename: Piotr E
authors.initials: PE
authors.lastname: Marszalek
mesh_terms: D000438:Alcohols; D002236:Carbohydrate Conformation; D005947:Glucose / Q000737:chemistry*; D036103:Nanotechnology; D011134:Polysaccharides / Q000737:chemistry
chemical_list: D000438:Alcohols; D011134:Polysaccharides; C002076:pustulan; D005947:Glucose