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Crystal and molecular structure of V-amylose complexed with ibuprofen

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.
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Contributor : Jean-Luc Putaux <>
Submitted on : Friday, March 12, 2021 - 2:14:32 PM
Last modification on : Wednesday, September 22, 2021 - 9:14:05 AM
Long-term archiving on: : Sunday, June 13, 2021 - 6:55:40 PM


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Cong Anh Khanh Le, Yu Ogawa, Frédéric Dubreuil, Florent Grimaud, Karim Mazeau, et al.. Crystal and molecular structure of V-amylose complexed with ibuprofen. Carbohydrate Polymers, Elsevier, 2021, 261, pp.117885. ⟨10.1016/j.carbpol.2021.117885⟩. ⟨hal-03167743⟩



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