Crystal and molecular structure of V-amylose complexed with butan-1-ol

Cong Anh Khanh Le (1) , Karim Mazeau (1) , Yoshiharu Nishiyama (1) , Yu Ogawa (1) , Luc Choisnard (2) , Denis Wouessidjewe (2) , Jean-Luc Putaux (1)

1 CERMAV - Centre de Recherches sur les Macromolécules Végétales
2 DPM - Département de pharmacochimie moléculaire

Chain-folded lamellar V-amylose single crystals were prepared by adding butan-1-ol to hot dilute aqueous solutions of native amylose. The base plane electron and X-ray diffraction patterns recorded from hydrated specimens agreed with a P212121 space group and an orthorhombic unit cell. A molecular model resulting from an exhaustive search of helix position and restrained structure refinement against diffraction data was proposed. The unit cell contains 4 antiparallel left-handed 6 fold amylose single helices with 1 butan-1-ol molecule located inside each of the helical cavities. In addition, 4 butan-1-ol and 20 water molecules are distributed in the 4 interstitial spaces. The amylose helices form rows along the b-axis that are alternatively shifted by ±b/8 with respect to one another, which validates the geometrical model proposed by Helbert and Chanzy in 1994.

Keywords: V-amylose; butan-1-ol; inclusion compounds; structure refinement

Domains: Chemical Sciences; Polymers; Chemical Sciences; Cristallography

Cong Anh Khanh Le, Karim Mazeau, Yoshiharu Nishiyama, Yu Ogawa, Luc Choisnard, et al.. Crystal and molecular structure of V-amylose complexed with butan-1-ol. Polymer, 2022, 243, pp.124651. ⟨10.1016/j.polymer.2022.124651⟩. ⟨hal-03576868⟩