Theoretical study on conformation and stability of trehalose

DOI
  • Yoshikawa Taiki
    Department of Chemistry, Graduate School of Science, Hiroshima University Center for Quantum Life Sciences, Hiroshima University
  • Akase Dai
    Department of Chemistry, Graduate School of Science, Hiroshima University Center for Quantum Life Sciences, Hiroshima University
  • Aida Misako
    Department of Chemistry, Graduate School of Science, Hiroshima University Center for Quantum Life Sciences, Hiroshima University

Bibliographic Information

Other Title
  • トレハロースの構造と安定性についての理論化学的研究

Description

Trehalose is a non-reducing disaccharide composed of two α-(D)-glucose units linked together by a 1,1-glycosidic linkage. Trehalose has a number of conformers because it has 12 independent dihedral angles, which include the conformations of 8 OH groups, of the glycosidic linkage, and of CH2OH groups. The relative stabilities of conformations of the disaccharide depend on the intramolecular hydrogen bond networks. In this work, we clarify stable conformers of trehalose using MP2 level of ab initio MO theory. We find out that the relative stabilities of conformers of trehalose depend on the conformation of glycosidic linkage. The most stable conformer of trehalose is composed of the most stable conformer of α-glucose held together by a 1,1-glycosidic linkage.

Journal

Keywords

Details 詳細情報について

  • CRID
    1390282680713122944
  • NII Article ID
    130005418924
  • DOI
    10.11545/ciqs.2016.0_o6
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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