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 work introduces three eco-friendly UV spectrophotometric methods for the simultaneous estimation of Paracetamol, Aceclofenac and Eperisone Hydrochloride in pharmaceutical tablet formulation. The procedures employed were equation method multivariate chemometric with phosphate buffer pH 7.80 as diluent. encompasses absorbance measurement at different wavelengths (λmax drugs). It exhibits lin...

Increasing consumer demands for more information about the food we eat, in combination with a greater incidence of sophisticated fraud cases, has resulted development and application rapid, non-targeted cost effective analytical methods. Vibrational spectroscopy equipment evolved from bulky benchtop instruments to miniaturised sensors that have capability sensitive, real-time on-site monitoring...

Cell culture media used in industrial mammalian cell culture are complex aqueous solutions that are inherently difficult to analyze comprehensively. The analysis of media quality and variance is of utmost importance in efficient manufacturing. We are exploring the use of rapid "holistic" analytical methods that can be used for routine screening of cell culture media used in industrial biotechno...

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...