title: Chemometric discrimination of genetically modified Coffea arabica cultivars using spectroscopic and chromatographic fingerprints.
abstract: Multivariate statistical design and principal component analysis (PCA) applied to RP-HPLC-DAD and FTIR spectroscopic data were performed to investigate the fingerprints of four coffee cultivars, traditional red bourbon and three genetically modified cultivars. The design and response surface results showed that extraction dependence on solvent composition of one of the genetically modified cultivars, IAPAR 59, was very similar to that found for the red bourbon standard. PCA of the FTIR spectra obtained from all the simplex centroid design mixtures indicated that the 1:1 binary ethanol-dichloromethane solution resulted in the best separation of the four cultivars. The IPR 108 cultivar has more intense vibrational bands in the 3200-3,600 cm(-1) and 1100-1,600 cm(-1) regions indicating higher acid and fat levels than those of the other cultivars. The UV absorptions close to 275 nm of the RP-HPLC-DAD spectra are correlated with the strengths of the infrared absorptions between 3400 and 3,460 cm(-1) and can be explained by varying caffeine concentrations in the four cultivars.
authors.affiliation: Laboratório de Quimiometria em Ciências Naturais, Departamento de Química, Universidade Estadual de Londrina, CP 6001, 86051-990 Londrina, PR, Brazil.
authors.forename: Ivanira
authors.initials: I
authors.lastname: Moreira
authors.forename: Ieda Spacino
authors.initials: IS
authors.lastname: Scarminio
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods; D040503:Coffea / Q000737:chemistry* / Q000235:genetics; D015999:Multivariate Analysis; D030821:Plants, Genetically Modified / Q000737:chemistry* / Q000235:genetics; D025341:Principal Component Analysis; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods