A singular value decomposition (SVD)-based chemometric method is used for deconvolution of spectral information obtained from a single sample containing an equilibrium system with spectral overlapping at different temperatures. The output of analysis is the association constants at each temperature, thermodynamic parameters and the component spectral profiles. Thermodynamic characterization of ...

A Chinese yellow wine classification method is proposed based on chemometric analysis of voltammogram of copper electrode. The main components in Chinese yellow wine are alcohol, amino acids and carbon hydrates. In strong alkaline solution copper electrode shows rich voltammetric responses to these components. Principal component analysis is employed to analyse voltammetric response of copper e...

Actaea racemosa (black cohosh) has a history of traditional use in the treatment of general gynecological problems. However, the plant is known to be vulnerable to adulteration with other cohosh species. This study evaluated the use of shortwave infrared hyperspectral imaging (SWIR-HSI) in tandem with chemometric data analysis as a fast alternative method for the discrimination of four cohosh s...

The scope of this article is to propose an innovative method based on Near Infrared Hyperspectral Chemical Imaging (NIR-HCI) to rapidly and non-destructively evaluate the relative degree of collagen preservation in bones recovered from archaeological contexts. This preliminary study has allowed the evaluation of the potential of the method using bone samples from the Early Upper Palaeolithic, M...

Objective: Chemometric assisted spectrophotometry, and HPLC methods have been developed for the simultaneous determination of phenylephrine hydrochloride (PEPH), paracetamol (PCM), guaifenesin (GNF), chlorpheniramine maleate (CPM) and bromhexine hydrochloride (BRM). Methods: The chromatographic separation was carried out on a Phenomenex RPC18 column. An isocratic elution was carried out with th...

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 ...

Green tea is considered as a dietary source of antioxidant nutrients, which acts upon human health. Green tea leaves contain three main components in the form of simple hydroxy benzoic acids such as gallic acid, propyl gallate and xanthic bases (caffeine), have been reported to prevent or delay a number of degenerative diseases and act mainly upon the central nervous system and stimulating wake...

Transmembrane proteins play vital roles in maintaining the normal cell physiology. They are also important as potential drug targets. Therefore, there is an immense academic and pharmaceutical interest in these proteins. In our lab, we have tried to use chemometric approach along with other computational and experimental methods towards elucidation of transmembrane protein structures and functi...

This article is the second in a series that lists four key explanatory or tutorial references for each of 29 chemometric methods previously described. The selected are particularly helpful to explain use method spectroscopic data. Also included common computer software platforms used chemometrics.