[article]
| Titre : |
Molecular modeling of personal care ingredients to create specific skin sensory characteristics |
| Type de document : |
texte imprimé |
| Auteurs : |
Johann W. Wiechers, Auteur ; Cock Verboom, Auteur ; Wim A. J. Starmans, Auteur ; Vincent A. L. Wortel, Auteur |
| Année de publication : |
2001 |
| Article en page(s) : |
p. 171-177 |
| Note générale : |
Bibliogr. |
| Langues : |
Anglais (eng) |
| Résumé : |
Objective : In order to explore the existence of a relationship between the molecular structure of a personal care ingredient and its skin performance, we applied molecular modeling techniques to data obtained in skin sensory studies.
Methods : Expert panels evaluated 29 personal care ingredients, which were described using 31 sensory characteristics ( attributes). Principal Component Analysis (PCA) was performed on the sensory results. This revealed which attributes were correlated and the amount of variance within the data set for each attribute. Attributes containing minor variance were removed. Subsequently, a subset of six different relevant attributes, representing different classes of sensory feelings, was selected : Adsorbency, Coating,Oily, Shiny and Thickness. Approximately 80 two-dimensional molecular descriptors, representing e.g length, branching and polarity of the ingredients, were calculated. Again, uninformative molecular descriptors were eliminated. Partial Least Squares regression PLS betzeen sensory attributes and molecular descriptors yielded a model for the six attributes.
Results |
| Permalink : |
https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=10718 |
in IFSCC MAGAZINE > Vol. 4, N° 3 (07-08-09/2001) . - p. 171-177
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