title: Application of multivariate curve resolution for analysis of FT-IR microspectroscopic images of in situ plant tissue.
abstract: The chemometric techniques of multivariate curve resolution (MCR) are aimed at extracting the spectra and concentrations of individual components present in mixtures using a minimum set of initial assumptions. We present results from the application of alternating least squares (ALS) based MCR to the analysis of hyperspectral images of in situ biological material. The spectra of individual pure components were mathematically extracted and then identified by searching the spectra against a commercial library. No prior information about the chemical composition of the material was used in the data analysis. The spectra recovered by ALS-MCR analysis of an FT-IR microspectroscopic image of an 8-micron-cornkernel section matched very well the spectra of the corn storage protein, zein, and starch. Through the application of MCR, we were able to show the presence of a second spectrally different protein, which could not be easily seen using univariate analysis. These results demonstrate the value of multivariate curve resolution techniques for the analysis of biological tissue. The value of principal components analysis (PCA) for hyperspectral image analysis is also discussed.
authors: DuPont, Crop Protection, Stine-Haskell Research Center, Newark, Delaware 19711, USA.
authors: Boiana O
authors: BO
authors: Budevska
authors: Stephen T
authors: ST
authors: Sum
authors: Todd J
authors: TJ
authors: Jones
mesh_terms: D000465:Algorithms; D015591:Microspectrophotometry / Q000379:methods*; D015999:Multivariate Analysis; D015203:Reproducibility of Results; D012639:Seeds / Q000737:chemistry* / Q000145:classification; D012680:Sensitivity and Specificity; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013223:Statistics as Topic; D003313:Zea mays / Q000737:chemistry* / Q000145:classification