Crystal and molecular structure of V-amylose complexed with ibuprofen

Cong Anh Khanh Le, Yu Ogawa, Frédéric Dubreuil, Florent Grimaud, Karim Mazeau, Gregory R. Ziegler, Shivalika Tanwar, Yoshiharu Nishiyama, Gabrielle Potocki-Veronese, Luc Choisnard, Denis Wouessidjewe, Jean Luc Putaux

Research output: Contribution to journalArticlepeer-review

Abstract

Rectangular V-amylose single crystals were prepared by adding racemic ibuprofen to hot dilute aqueous solutions of native and enzymatically-synthesized amylose. The lamellar thickness increased with increasing degree of polymerization of amylose and reached a plateau at about 7 nm, consistent with a chain-folding mechanism. The CP/MAS NMR spectrum as well as base-plane electron and powder X-ray diffraction patterns recorded from hydrated specimens were similar to those of V-amylose complexed with propan-2-ol. Amylose was crystallized in an orthorhombic unit cell with parameters a = 2.824 ± 0.001 nm, b = 2.966 ± 0.001 nm, and c = 0.800 ± 0.001 nm. A molecular model was proposed based on structural analogies with the Vpropan-2-ol complex and on assumptions on the stoichiometry of ibuprofen. The unit cell would contain four antiparallel 7-fold amylose single helices with ibuprofen molecules distributed inside and between the helices.

Original languageEnglish (US)
Article number117885
JournalCarbohydrate Polymers
Volume261
DOIs
StatePublished - Jun 1 2021

All Science Journal Classification (ASJC) codes

  • Organic Chemistry
  • Polymers and Plastics
  • Materials Chemistry

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