An effective analysis method was developed based on a chemometric tool for the simultaneous quantification of five different post-harvest pesticides (2,4-dichlorophenoxyacetic acid (2,4-D), carbendazim, thiabendazole, iprodione, and prochloraz) in fruits and vegetables. In the modified QuEChERS (quick, easy, cheap, effective, rugged and safe) method, the factors and responses for optimization o...

A new ultra-performance liquid chromatography (UPLC) method was improved for the determination of sulfamethoxazole and trimethoprim in a two-component tablet formulation. In development UPLC method, chromatographic conditions were chemometrically optimized by using experimental design optimization procedure. The central composite fitting model applied to identify suitable providing desirable el...

In the context where lengthy protocols are used to extract and characterize each substance from mummification balms using techniques such as gas chromatography mass spectrometry, this paper presents evaluation of efficiency an original method SIMPLISMA algorithm in infrared spectroscopy. This tool is a pure variable approach corresponding selection calibration variables. developed was combined ...

Chemometrics Raman spectroscopy StreamLineTM imaging Tablet imaging Empty ModellingTM multivariate curve resolution (EM-MCR) The quantity of Raman spectroscopy data and the speed at which it can be collected when using fast imaging techniques have made the application of multivariate data analysis techniques – such as chemometrics – an invaluable and powerful tool. By Tim Smith at Renishaw plc ...

p2x 7 antagonist activity for a set of 49 molecules of the p2x 7 receptor antagonists, derivatives of purine, was modeled with the aid of chemometric and artificial intelligence techniques. the activity of these compounds was estimated by means of combination of principal component analysis (pca), as a well-known data reduction method, genetic algorithm (ga), as a variable selection technique, ...

BACKGROUND One of the main concerns for archaeo-metallurgists and archaeologists is to determine to what extent ancient craftsmen understood the effect of metal alloy composition and were able to control it in order to produce objects with the most suitable features. This problem can be investigated by combining compositional analyses of a high number of ancient artefacts with correlation analy...