The cumulative particle size distribution of microcrystalline cellulose, a widely used pharmaceutical excipient, was determined using near infrared (NIR) reflectance spectroscopy. Forward angle laser light scattering measurements were used to provide reference particle size values corresponding to different quantiles and then used to calibrate the NIR data. Two different chemometric methods, th...

Stereospecific analysis is an important tool for the characterization of lipid fraction of food products. In the present research, an approach to characterize arabica and robusta varieties by structural analysis of the triacylglycerol (TAG) fraction is reported. The lipids were Soxhlet extracted from ground roasted coffee beans with petroleum ether, and the fatty acids (FA) were determined as t...

In the present study, trace elements including Na, Mg, K, Ca, Mn, Fe, Cu, Zn, Cd and Pb in Althaea rosea seeds were determined by flame and graphite furnace atomic absorption spectrometry. This method coupled with microwave-assisted acid digestion, based on a mixture of nitric acid and hydrogen peroxide. In order to get a better insight into the elemental patterns, the chemometric techniques of...

The monomer-dimer equilibrium of an asymmetric cyanine dye has been investigated by means of UV-Vis spectroscopy. The data have been processed by a recently developed chemometric method for quantitative analysis of undefined mixtures, that is based on simultaneous resolution of the overlapping bands in the whole set of absorption. In this work the dimerization constant of 1-carboxydecyl-4-{3-[3...

Near infrared (NIR) spectroscopy was used for estimation of powder blend homogeneity and manufacturing control of a medicinal product powder mixture containing active pharmaceutical ingredient (API). Aiming at initiating a Process Analytical Technology (PAT) activity, the first step was a stationary mode at-line evaluation. In this, the content of pharmaceutical active compound in the powder mi...

Several commercial soft drinks and respective plastic bottles were analyzed for their multielement contents employing the synchrotron radiation total reflection X-ray fluorescence spectrometry technique (SRTXRF). The SRTXRF method has been developed and validated, and about 20 elements were detected in the investigated samples, including some trace elements, which can be toxic for human beings,...

This thesis considers issues related to the multivariate analysis and calibration of chemical data collected in a vector format (one–way data). The work is designed to facilitate the task of the analytical chemist, focusing on methods of maximizing the amount of information that can be obtained by multivariate modeling from full sets of data generated by instruments or experiments. It is shown ...