| Résumé : |
Tanning of animal hides produces leather, a durable, flexible material that is stabilized against putrefaction. Chrome-tanned wet blue, aldehyde crosslinked wet white, and vegetable tanned hides are major contributors to current leather production. Although the chemistries involved are significantly different, the product in each case is leather. Vegetable tanning, the oldest of these technologies is, from a mechanistic perspective, the least well understood. To explore possible vegetable tanning mechanisms, we have applied molecular modeling techniques to the study of interactions of gallotannin, a component of chestnut tannins, with the collagen microfibril. A model gallotannin molecule was constructed and energy minimized. This model was docked into several energetically favorable positions on a fragment of the ERRC collagen microfibril model, generally with a good fit at a proline or hydroxyproline residue. The alpha carbon backbone of collagen was kept immobile during molecular dynamics simulations at 400 - 800K with and without an added layer of water for solvation to identify possibly more favorable interactions sites for the gallotannin molecules. Both inter and intra chain interactions were possible, and several potential sites for hydrogen bonding via arginine residues or hydrophobic interactions with alanine or isoleucine residues were identified. The information gained from this model study is an early step in the development of a vegetable-tanning model. |
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Molecular modeling approach to vegetable tanning : Preliminary results for gallotannin interactions with the collagen microfibril in JOURNAL OF THE AMERICAN LEATHER CHEMISTS ASSOCIATION (JALCA), Vol. CVI, N° 5 (05/2011)
