Comparison of different fluorescence techniques in brandy classification by region of production

Fluorescence spectrometry coupled with chemometrics was used to discriminate between 44 brandies originating from different countries. The kind of spectrum (emission, total luminescence and synchronous fluorescence), the geometry of sample illumination (front-face and right angle), and the sample ty...

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Bibliographic Details
Published in:Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2019-06, Vol.216, p.125-135
Main Authors: Sádecká, Jana, Uríčková, Veronika, Májek, Pavel, Jakubíková, Michaela
Format: Article
Language:English
Subjects:
Brandy
Fluorescence spectroscopy
Linear discriminant analysis
Parallel factor analysis
Principal component analysis
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Summary:Fluorescence spectrometry coupled with chemometrics was used to discriminate between 44 brandies originating from different countries. The kind of spectrum (emission, total luminescence and synchronous fluorescence), the geometry of sample illumination (front-face and right angle), and the sample type (bulk and diluted) were considered to compare the brandy classification. Firstly, the emission and synchronous fluorescence spectra (SFS) were processed by the principal component analysis (PCA) and the excitation-emission matrix (EEM) fluorescence spectra were modeled by unfolded PCA and parallel factor analysis (PARAFAC). Secondly, the scores of PCA/PARAFAC components were used in the linear discriminant analysis (LDA). Finally, the quality of the PCA-LDA and PARAFAC-LDA models was compared. Total correct classification using emission spectra was poor, regardless of the experimental conditions. The highest total correct classification (95.5%) was achieved by processing the SFS recorded at wavelength difference of 20 and 60nm on the diluted samples. However, 90.9% observed for bulk samples and their SFS at wavelength difference of 20nm in the right angle geometry as well as EEM fluorescence spectra in both geometries is still an acceptable result. [Display omitted] •Emission, total luminescence and synchronous fluorescence spectra (SFS) compared.•Front-face and right angle geometry of sample illumination considered.•Bulk and diluted samples used.•SFS for diluted samples in the right angle geometry provided the best results.
ISSN:1386-1425
DOI:10.1016/j.saa.2019.03.018