BACKGROUND Celiac disease (CD) is a disorder associated with body reaction to gluten. After the gluten intake, an immune reaction against the protein occurs and damages villi of small intestine in celiac patients gradually. OBJECTIVES The OSC, a filtering method for minimization of inter- and intra-spectrometer variations that influence on data acquisition, was applied to biofluid NMR data of...

High resolution proton nuclear magnetic resonance spectroscopy (¹H MRS) can be used to detect biochemical changes in vitro caused by distinct pathologies. It can reveal distinct metabolic profiles of brain tumors although the accurate analysis and classification of different spectra remains a challenge. In this study, the pattern recognition method partial least squares discriminant analysis (P...

Multispectral imaging is an emerging non-destructive technology. In this work its potential for varietal discrimination and identification of tomato cultivars of Nepal was investigated. Two sample sets were used for the study, one with two parents and their crosses and other with eleven cultivars to study parents and offspring relationship and varietal identification respectively. Normalized ca...

The aim of the present study was to identify time-dependent changes in the expression of metabolic biomarkers during the various stages of oral carcinogenesis to provide an insight into the sequential mechanism of oral cancer development. An 1H nuclear magnetic resonance (NMR)-based metabolomics approach was used to analyze the blood plasma samples of Sprague-Dawley rats exhibiting various oral...

This work discusses the determination of the provenance of commercial Torrontés wines from different Argentinean provinces (Mendoza, San Juan, Salta and Rio Negro) by the use of UV-vis spectroscopy and chemometric techniques. In order to find classification models, wines (n = 80) were analyzed using UV-Vis region of the electromagnetic spectrum. Principal component analysis (PCA), linear discri...

Leaves from Panax ginseng Meyer (Korean origin and Chinese origin of Korean ginseng) and P. quinquefolius (American ginseng) were harvested in Haenam province, Korea, and were analyzed to investigate patterns in major metabolites using HPLC-based metabolic profiling. Partial least squares discriminant analysis (PLS-DA) was used to analyze the HPLC chromatogram data. There was a clear separation...

Serum and liver metabolites in rats fed red ginseng (RG) were analyzed by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry. The mass data were analyzed by partial least squares-discriminant analysis (PLS-DA) to discriminate between control and RG groups and identify metabolites contributing to this discrimination. The RG group was clearly separated from the co...

13 Abstract 14 Soil has been utilized in criminal investigations for some time because of its prevalence and 15 transferability. It is usually the physical characteristics that are studied, however the research 16 carried out here aims to make use of the chemical profile of soil samples. The research we are 17 presenting in this work used sieved (2mm) soil samples taken from the top soil layer ...

The combinations of inductively coupled plasma-optical emission spectrometry (ICP-OES) and three classification algorithms, i.e., partial least squares discriminant analysis (PLS-DA), least squares support vector machine (LS-SVM) and soft independent modeling of class analogies (SIMCA), for discriminating different brands of Iranian bottled mineral waters, were explored. ICP-OES was used for th...

Metabolic fingerprinting studies rely on interpretations drawn from low-dimensional representations of spectral data generated by methods of multivariate analysis such as principal components analysis and projection to latent structures discriminant analysis. The growth of metabolic fingerprinting and chemometric analyses involving these low-dimensional scores plots necessitates the use of quan...