[article]
| Titre : |
Molecular modelling of tanning processes |
| Type de document : |
texte imprimé |
| Auteurs : |
Jens Fennen, Auteur |
| Année de publication : |
1998 |
| Article en page(s) : |
p. 5-10 |
| Note générale : |
Bibliogr. |
| Langues : |
Anglais (eng) |
| Index. décimale : |
675 Technologie du cuir et de la fourrure |
| Résumé : |
During the past decade molecular modelling techniques have been a field of major research. The underlying theory has been refined, modelling programs have become both faster and more reliable, additionally computer power has increased enormously. The main focus and driving force of the application of these tools has so far been in the area of drug design. Although results have not always been up to expectations, molecular modelling can now be considered to be one of the standard tools in pharmaceutical research.
With this palette of modelling tools at hand, it seems promising to investigate the chemical nature of tanning processes at a molecular level. Starting from results obtained at the Eastern Regional Research Center, USDA, Philadelphia, the paper presents the development of a model for bovine collagen type I in aqueous medium and its refinement with the m olecular dynamics method.
Density functional theory (DFT) methods were used to calculate the structure of a model chrome complex as it is believed to be formed during the process of chrome tanning. The positions of reactive sites in the collagen model are finally compared with the dimensions of the chrome complex model and show a good fit.
It will then be discussed what else might be achieved by molecular modelling in the field of leather chemistry after a promising stard and which problems still have to be solved. The question of the size of an appropriate model which should reproduce macroscopic effects will especially be adressed. |
| Permalink : |
https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=7935 |
in JOURNAL OF THE SOCIETY OF LEATHER TECHNOLOGISTS & CHEMISTS (JSLTC) > Vol. 82, N° 1 (01-02/1998) . - p. 5-10
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Molecular modelling of tanning processes in JOURNAL OF THE SOCIETY OF LEATHER TECHNOLOGISTS & CHEMISTS (JSLTC), Vol. 82, N° 1 (01-02/1998)
