Many chemometric tools are invaluable and have proven effective in data mining and substantial dimensionality reduction of highly multivariate data. This becomes vital for interpreting various physicochemical data due to rapid development of advanced analytical techniques, delivering much information in a single measurement run. This concerns especially spectra, which are frequently used as the...

Partial least squares is a popular method for soft modelling in industrial applications. This paper introduces the basic concepts and illustrates them with a chemometric example. An appendix describes the experimental PLS procedure of SAS/STAT software.

ERDAL DINÇ1*, MURAT KANBUR2 , DUMITRU BALEANU3-4 Department of Analytical Chemistry, Faculty of Pharmacy, Ankara University, 06100, Tandoðan, Ankara, Turkey 2 Faculty of Veterinary Medicine, Department of Pharmacology and Toxicology, Kocasinan, Kayseri, Turkey 3 Department of Mathematics and Computer Sciences, Faculty of Arts and Sciences, Çankaya University, 06530 Balgat, Ankara, Turkey 4Natio...

The main effects of six experimental factors on the efficiency of HS (headspace) extraction in headspace gas chromatography--flame ionization detector (HS-GC-FID) determination of twenty organic solvents routinely used in production of pharmaceuticals were obtained on the basis of the results of experiments carried out according to the Plackett-Burman factorial design. The effects were used as ...

An alternatively minimizing covariant matrix error (AMCME) algorithm, newly proposed by the present authors, was applied to the simultaneous fluorometric determination of pyridoxal, pyridoxamine and 4-pyridoxic acid without loss of sensitivity. The experimental results illustrate that the profiles of spectra and concentration can be accurately resolved using the AMCME algorithm with a high sens...

Three methods are presented for simultaneous determination of ibuprofen and paracetamol without previous separation. The first method depends on first derivative UV spectrophotometry, with zero-crossing measurement. The first derivative amplitudes at 230 and 290 nm were selected for the assay of ibuprofen and paracetamol, respectively. The second method depends on first derivative of the ratio-...

In this study, the NIR and UV-Vis spectroscopy methods, which are frequently used in pharmaceutical industry, were applied to environments where Paracetamol, Propyphenazone Caffeine active substances present, spectroscopic data obtained evaluated comparatively with ICA-ANN PLS-1, powerful chemometric methods. When using solid agents method, liquid solutions equivalent them method. Following app...