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

doi:10.1021/ac500253b

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Licencia de uso del documento

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]

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Article de revue

Este ítem está publicado en

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

American Chemical Society

Resumen en inglés

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< Leer menos

Palabras clave en inglés

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

Proyecto ANR

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

Orígen

Importado de Hal

Centros de investigación

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