(1) An approach with great potential for fast and cost-effective profiling identification of diatoms in lake ecosystems is presented herein. This takes advantage Raman spectroscopy. (2) The study was based on the analysis 790 spectra from 29 species, belonging to 15 genera, 12 families, 9 orders 4 subclasses, which were analysed using chemometric methods. data first by a partial least squares r...

BACKGROUND The potential of coupling chemometric data processing techniques to thermal analysis for formulating an "archaeometric" classification of fossil bones was investigated. Moreover, the possibility of integrating the outcomes of this approach with the results of inductively coupled plasma (ICP) emission spectroscopy for an anthropological interpretation of the observed patterns was also...

Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) th...

In this work, the application of multivariate curve resolution-alternating least squares (MCR-ALS) is proposed for extracting information from multitechnique fused multivariate data (UV-VIS absorption, fluorescence, and liquid chromatography-mass spectrometry) gathered during the biosynthesis of violacein pigment. Experimental data sets were pretreated and arranged in a row-wise augmented data ...

A description is given of a chemometric approach used to extract information on the characteristics of n-alkane and n-alkanoic acid homologous series as useful markers for PM source identification and differentiation. The key parameters of the homologous series – number of terms and Carbon Preference Index – are directly estimated by the Autocovariance Function (EACVF) computed on the acquired ...

Chemometric methods can enhance geochemical interpretations, especially when working with large datasets. With this aim, exploratory hierarchical cluster analysis (HCA) and principal component analysis (PCA) methods are used herein to study the bulk pyrolysis parameters of 534 samples from the Persian Gulf basin. These methods are powerful techniques for identifying the patterns of variations i...

BACKGROUND Mesenteric ischemia-reperfusion induces gut mucosal damage. Intestinal mucosal wounds are repaired by epithelial restitution. Although many different molecular mechanisms have been shown to affect cell metabolism under oxidative conditions, these molecular mechanisms and metabolic phenotypes are not well understood. Nuclear magnetic resonance (NMR) spectroscopic data can be used to s...

Single and sequential extraction procedures are used for studying element mobility and availability in solid matrices, like soils, sediments, sludge, and airborne particulate matter. In the first part of this review we reported an overview on these procedures and described the applications of chemometric uni- and bivariate techniques and of multivariate pattern recognition techniques based on v...

Standard raw material test methods such as the ISO Standard 11024 are focused on the identification of lavender oil and not the actual class/quality of the oil. However, the quality of the oil has a significant effect on its price at market. As such, there is a need for raw material tests to identify not only the type of oil but its quality. This paper describes two approaches to rapidly identi...

A hyperspectral image is a large dataset in which each pixel corresponds to a spectrum, thus providing high-quality detail of a sample surface. Hyperspectral images are thus characterised by dual information, spectral and spatial, which allows for the acquisition of both qualitative and quantitative information from a sample. A hyperspectral image, commonly known as a “hypercube”, comprises two...