Author/Authors :
van Nederkassel، نويسنده , , A.M. and Xu، نويسنده , , C.J. and Lancelin، نويسنده , , P. and Sarraf، نويسنده , , M. and MacKenzie، نويسنده , , D.A. and Walton، نويسنده , , N.J. and Bensaid، نويسنده , , F. and Lees، نويسنده , , M. and Martin، نويسنده , , G.J. and Desmurs، نويسنده , , J.R. and Massart، نويسنده , , D.L. and Smeyers-Verbeke، نويسنده , , J. and Vander Heyden، نويسنده , , Y.، نويسنده ,
Abstract :
This study describes the chemometric treatment of vanillin fingerprint chromatograms to distinguish vanillin from different sources. Prior to principal component analysis, which is used to discriminate vanillin from different origins, the fingerprints are aligned. Three alignment algorithms are tested, correlation optimized warping (COW), target peak alignment (TPA) and semi-parametric time warping (STW). The performance of the three algorithms is evaluated and the effect of the different alignments on the PCA score plots is investigated. The alignment obtained with STW differs somewhat from that with COW and TPA. However, equivalent score plots were obtained regarding the different vanillin groups.
Keywords :
Chromatographic fingerprint , STW , Cow , TPA , ALIGNMENT , PCA , vanillin
