title: Molecular Fingerprint Comparison of Closely Related Rose Varieties based on UHPLC-HRMS Analysis and Chemometrics.
abstract: BACKGROUND
  The "Jardin de Granville" modern rose variety not only combines the morphological properties of its two parental cultivars, but also possesses better agronomic characteristics (abundant blooms, strong growth and vitality, high resistance to common rose diseases). In addition, it shows remarkable biological properties such as a high ability to decrease inflammatory and oxidative stress on skin cells. That is why Parfums Christian Dior selected this rose variety to be an active ingredient in luxury cosmetics.
  
  
  OBJECTIVE
  To identify the characteristic molecular signature of "Jardin de Granville" compared with its parents "Annapurna" and "John Clare", by the mean of a non-targeted metabolomic comparison.
  
  
  METHODS
  Wood, flower and leaf hydro-alcoholic extracts were analysed by UHPLC-ESI-HRMS. The fingerprints were then submitted to unsupervised multivariate analyses involving principal component analysis (PCA) and hierarchical ascendant classification (HAC). Analysis of variance (ANOVA) was finally performed to highlight the significant differences in each group of organs.
  
  
  RESULTS
  The extracts were composed of phenolic compounds such as hydrolysable and condensed tannins and flavonol derivatives. Three groups of extracts were clustered as a function of the variety. The compounds overexpressed in "Jardin de Granville" variety were highlighted thanks to ANOVA test. Flower was the most discriminative organ with 15 overexpressed molecules. Auto MS/MS analyses led to their tentative identifications.
  
  
  CONCLUSIONS
  The non-targeted metabolomic approach revealed the importance of tannins to discriminate close rose varieties. The overexpressed hydrolysable tannins characteristic of "Jardin de Granville" can be responsible for the antioxidant and anti-inflammatory properties of the rose cosmetic ingredients. Copyright © 2016 John Wiley & Sons, Ltd.
authors.affiliation: Université d'Orléans, CNRS, ICOA, UMR 7311, F-45067, Orléans, France.|LVMH recherche, Département Innovation Ethnobotanique, 185 avenue de Verdun, 45800 Saint-Jean-de-Braye, France.
authors.forename: Ludivine
authors.initials: L
authors.lastname: Riffault-Valois
authors.affiliation: Université d'Orléans, CNRS, ICOA, UMR 7311, F-45067, Orléans, France.
authors.forename: Lucille
authors.initials: L
authors.lastname: Blanchot
authors.affiliation: Université d'Orléans, CNRS, ICOA, UMR 7311, F-45067, Orléans, France.|CNRS, CBM, UPR 4301, Université d'Orléans, F-45071, Orléans, France.
authors.forename: Cyril
authors.initials: C
authors.lastname: Colas
authors.affiliation: Université d'Orléans, CNRS, ICOA, UMR 7311, F-45067, Orléans, France.
authors.forename: Emilie
authors.initials: E
authors.lastname: Destandau
authors.affiliation: LVMH recherche, Département Innovation Ethnobotanique, 185 avenue de Verdun, 45800 Saint-Jean-de-Braye, France.
authors.forename: Laure
authors.initials: L
authors.lastname: Pasquier
authors.affiliation: BOTANICOSM ETHIC, 45170 Neuville Aux Bois, France.
authors.forename: Patrice
authors.initials: P
authors.lastname: André
authors.affiliation: Université d'Orléans, CNRS, ICOA, UMR 7311, F-45067, Orléans, France.
authors.forename: Claire
authors.initials: C
authors.lastname: Elfakir
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D055432:Metabolomics; D015999:Multivariate Analysis; D015203:Reproducibility of Results; D027826:Rosa / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
keywords: Polyphenols; analysis of variance; mass spectrometry; metabolomics; principal component analysis