The objective of this paper is to present a review of different calibration and classification methods for functional data in the context of chemometric applications. In chemometric, it is usual to measure certain parameters in terms of a set of spectrometric curves that are observed in a finite set of points (functional data). Although the predictor variable is clearly functional, this problem...

The research described in this Thesis is part of a project to develop a new database system for proteo-chemometric research. This new system uses a mediator/wrapper approach for integrating heterogeneous and autonomous data sources. Special-purpose modules for data representation and data analysis can be incorporated into the system through the extensibility of the object-relational mediator. L...

Iron is an essential element used as supplement in different dosage-forms. Different time and expenditure-consuming methods introduced for detection and determination of elemental ions such as atomic absorption. In this research, two different and routine methods containing ATR-IR and atomic absorption were applied to define the amount of iron in 198 samples containing different concentrations ...

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...

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...

Gaussian processes have received significant interest for statistical data analysis as a result of the good predictive performance and attractive analytical properties. When developing a Gaussian process regression model with a large number of covariates, the selection of the most informative variables is desired in terms of improved interpretability and prediction accuracy. This paper proposes...

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 ...

A new chemometric method, which uses artificial neural networks (ANN), is presented for determination of the composition of urinary calculi. The selected constituents were whewellite, weddellite, and uric acid from which approximately 40% of the urinary calculi obtained from Macedonia patients are composed. The results for the synthetic mixtures were better then those obtained by partial least ...