EL HADDAD, Josette; DE MIOLLIS, Frédérick; BOU SLEIMAN, Joyce; CANIONI, Lionel; MOUNAIX, Patrick; BOUSQUET, Bruno

doi:10.1021/ac500253b

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http://creativecommons.org/licenses/by-nc/

EL HADDAD, Josette
Laboratoire Ondes et Matière d'Aquitaine [LOMA]

DE MIOLLIS, Frédérick
Laboratoire Ondes et Matière d'Aquitaine [LOMA]

BOU SLEIMAN, Joyce
Laboratoire Ondes et Matière d'Aquitaine [LOMA]

Langue

Article de revue

Ce document a été publié dans

Analytical Chemistry. 2014, vol. 86, n° 10, p. 4927-4933

American Chemical Society

Résumé en anglais

Chemometrics was applied to qualitative and quantitative analyses of terahertz spectra obtained in transmission mode. A series of mixtures of three pure products, namely citric acid, D-(-) fructose and α-lactose monohydrate under various concentrations were prepared as pressed pellets with polyethylene as binder. Then terahertz absorbance spectra were recorded by terahertz time domain spectroscopy and analyzed. Firstly, principal component analysis allowed to correctly locating the samples into a ternary diagram. Secondly, quantitative analysis was achieved by partial least square (PLS) regression and artificial neural networks (ANN). The concentrations were predicted with values of relative mean square error lower than 0.9 % for the three constituents. As a conclusion, chemometrics was demonstrated to be very efficient for the analysis of the ternary mixtures prepared for this study< Réduire

Mots clés en anglais

partial least square regression (PLS)

chemometrics

quantitative analysis

artificial neural network (ANN)

Terahertz Spectroscopy

absorbance

principal component analysis (PCA)

DOI

http://dx.doi.org/10.1021/ac500253b

Project ANR

Integrated Postal Supply Chain Security - ANR-11-SECU-0010

Origine

Importé de hal

Unités de recherche

Laboratoire Ondes et Matière d'Aquitaine (LOMA) - UMR 5798