Metabolic fingerprinting studies rely on interpretations drawn from low-dimensional representations of spectral data generated by methods of multivariate analysis such as principal components analysis and projection to latent structures discriminant analysis. The growth of metabolic fingerprinting and chemometric analyses involving these low-dimensional scores plots necessitates the use of quan...

Chemometric methods like Principal Component Analysis (PCA) and Evolving Factor Analysis (EFA) have been applied to improve peaks separation, especially in HPLC UV-DAD analysis. In this work, the Independent Component Analysis (ICA) was adopted for the separation of overlapping aromatic peaks and the simultaneous determination of the underlying spectra. The application of the method on middle p...

There are possible environmental risks related to gene flow from genetically engineered organisms. It is important to find accurate, fast, and inexpensive methods to detect and monitor the presence of genetically modified (GM) organisms in crops and derived crop products. In the present study, GM maize kernels containing both cry1Ab/cry2Aj-G10evo proteins and their non-GM parents were examined ...

This chapter presents an introduction to robust statistics with applications of a chemometric nature. Following a description of the basic ideas and concepts behind robust statistics, including how robust estimators can be conceived, the chapter builds up to the construction (and use) of robust alternatives for some methods for multivariate analysis frequently used in chemometrics, such as prin...

Methods for generating and interpreting metabolic profiles based on nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and chemometric analysis methods are summarized and the relative strengths and weaknesses of NMR and chromatography-coupled MS approaches are discussed. Given that all data sets measured to date only probe subsets of complex metabolic profiles, we describe r...

The essential oils isolated from basil (Ocimum sp.), chamomile (Chamomilla recutita L.), thyme (Thymus vulgaris L.) and oregano (Origanum sp.) were analysed rapidly and non-destructively applying different vibrational spectroscopic methods (ATR-IR, NIR and Raman spectroscopy). Whereas NIR spectroscopic data can be interpreted only by application of chemometric algorithms, IR and Raman spectra o...

This paper addresses the precision in factor loadings during partial least squares (PLS) and principal components regression (PCR) of wood chemistry content from near infrared reflectance (NIR) spectra. The precision of the loadings is considered important because these estimates are often utilized to interpret chemometric models or selection of meaningful wavenumbers. Standard laboratory chemi...

Fast and accurate grading of Chinese Cantonese sausage is an important concern for customers, organizations, and the industry. Hyperspectral imaging in the spectral range of 874-1734 nm, combined with chemometric methods, was applied to grade Chinese Cantonese sausage. Three grades of intact and sliced Cantonese sausages were studied, including the top, first, and second grades. Support vector ...

Chemometric methods like Principal Component Analysis (PCA) and Evolving Factor Analysis (EFA) have been applied to improve peaks separation, especially in HPLC UV-DAD analysis. In this work, the Independent Component Analysis (ICA) was adopted for the separation of overlapping aromatic peaks and the simultaneous determination of the underlying spectra. The application of the method on middle p...