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Full Characterisation of Heroin Samples Using Infrared Spectroscopy and Multivariate Calibration
Volume 29, Issue 5 (2024) Keywords: adulterants; ATR-IR; chemometrics; diacetylmorphine; diluents; mobile detection approaches Abstract: The analysis of heroin samples, before use in the protected ...
Multidimensional chromatographic fingerprinting combined with chemometrics for the identification of regulated plants in suspicious plant food supplements
for shifts in retention times using correlation optimized warping), partial least squares – discriminant analysis was applied to construct classification models. Two approaches for modelling were ...
Spectroscopic approaches for conformity analysis of e-liquids
squares-discriminant analysis (PLS- DA) and soft independent modelling by class analogy (SIMCA), was used to classify samples according to the presence of nicotine and/or the targeted additives. The results allowed to ...
Multidimensional Chromatographic Fingerprinting Combined with Chemometrics for the Identification of Regulated Plants in Suspicious Plant Food Supplements.
Pressure Liquid Dietary Supplements Discriminant Analysis Least-Squares Analysis Plants Abstract: The popularity of plant food supplements has seen explosive growth all over the world, making them ...
An infrared spectroscopic approach to characterise white powders, easily applicable in the context of drug checking, drug prevention and on-site analysis
using spectroscopic techniques hyphenated with partial least squares (PLS) modelling. For identification purposes, it was observed that mid-infrared spectroscopy hyphenated with PLS-discriminant analysis allowed the ...
Clustering and diagnostic modelling of slimming aids based on chromatographic and mass spectrometric fingerprints
(2017) Keywords: Anti-Obesity Agents Chromatography, High Pressure Liquid Cluster Analysis Discriminant Analysis Least-Squares Analysis Mass Spectrometry Principal Component Analysis Abstract: Herbal ...
Chromatographic impurity fingerprinting of genuine and counterfeit Cialis® as a means to compare the discriminating ability of PDA and MS detection.
supervised Partial Least Squares and its discriminant variant (PLS, PLS- DA) as well the classification methods including Soft Independent Modelling of Class Analogy (SIMCA) and the k Nearest Neighbour ...
The Monte Carlo validation framework for the discriminant partial least squares model extended with variable selection methods applied to authenticity studies of Viagra® based on chromatographic impurity profiles.
Counterfeit Drugs Discriminant Analysis Least-Squares Analysis Monte Carlo Method Sildenafil Citrate Abstract: The aim of this work was to develop a general framework for the validation of discriminant models ...
Testing of complementarity of PDA and MS detectors using chromatographic fingerprinting of genuine and counterfeit samples containing sildenafil citrate.
several genuines and generics are classified as counterfeits and vice versa. However, when analyzing the MS1_MS2 data in combination with partial least squares-discriminant analysis (PLS- DA), a perfect ...
Detection of sibutramine in adulterated dietary supplements using attenuated total reflectance-infrared spectroscopy.
p.279-283 (2014) Keywords: Appetite Depressants Cyclobutanes Decision Trees Dietary Supplements Drug Contamination False Positive Reactions Least-Squares Analysis Principal Component Analysis Reproducibility ...