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Article

Application of Functional Data Analysis and FTIR-ATR Spectroscopy to Discriminate Wine Spirits Ageing Technologies

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Instituto Politécnico de Castelo Branco, Escola Superior Agrária, 6001-909 Castelo Branco, Portugal
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CEF, Instituto Superior de Agronomia, Universidade de Lisboa, 1349-017 Lisboa, Portugal
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CBPBI, Centro de Biotecnologia de Plantas da Beira Interior, 6001-909 Castelo Branco, Portugal
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Department of Mechanical Engineering, Heat Engines and Fluid Mechanics, Industrial Engineering School, University of Vigo, Maxwell s/n, 36310 Vigo, Spain
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INIAV, INIAV-Dois Portos, Quinta da Almoínha, 2565-191 Dois Portos, Portugal
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MED—MediterraneanInstitute for Agriculture, Environment and Development, Instituto de formação avançada, Universidade de Évora, Pólo da Mitra, Ap. 94, 7006-554 Évora, Portugal
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Author to whom correspondence should be addressed.
Mathematics 2020, 8(6), 896; https://doi.org/10.3390/math8060896
Received: 28 April 2020 / Revised: 26 May 2020 / Accepted: 27 May 2020 / Published: 2 June 2020
(This article belongs to the Special Issue Functional Statistics: Outliers Detection and Quality Control)
Fourier transform infrared spectroscopy (FTIR) with Attenuated Total Reflection (ATR) combined with functional data analysis (FDA) was applied to differentiate aged wine spirits according to the ageing technology (traditional using 250 L wooden barrels versus alternative using micro-oxygenation and wood staves applied in 1000 L stainless steel tanks), the wood species used (chestnut and oak), and the ageing time (6, 12, and 18 months). For this purpose, several features of the wine spirits were examined: chromatic characteristics resulting from the CIELab method, total phenolic index, concentrations of furfural, ellagic acid, vanillin, and coniferaldehyde, and total content of low molecular weight phenolic compounds determined by HPLC. FDA applied to spectral data highlighted the differentiation between all groups of samples, confirming the differentiation observed with the analytical parameters measured. All samples in the test set were differentiated and correctly assigned to the aged wine spirits by FDA. The FTIR-ATR spectroscopy combined with FDA is a powerful methodology to discriminate wine spirits resulting from different ageing technologies. View Full-Text
Keywords: FTIR-ATR; FDA; vector analysis; wine spirit; ageing technology; micro-oxygenation; wood; oak; chestnut; ageing time FTIR-ATR; FDA; vector analysis; wine spirit; ageing technology; micro-oxygenation; wood; oak; chestnut; ageing time
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MDPI and ACS Style

Anjos, O.; Martínez Comesaña, M.; Caldeira, I.; Pedro, S.I.; Eguía Oller, P.; Canas, S. Application of Functional Data Analysis and FTIR-ATR Spectroscopy to Discriminate Wine Spirits Ageing Technologies. Mathematics 2020, 8, 896. https://doi.org/10.3390/math8060896

AMA Style

Anjos O, Martínez Comesaña M, Caldeira I, Pedro SI, Eguía Oller P, Canas S. Application of Functional Data Analysis and FTIR-ATR Spectroscopy to Discriminate Wine Spirits Ageing Technologies. Mathematics. 2020; 8(6):896. https://doi.org/10.3390/math8060896

Chicago/Turabian Style

Anjos, Ofélia, Miguel Martínez Comesaña, Ilda Caldeira, Soraia Inês Pedro, Pablo Eguía Oller, and Sara Canas. 2020. "Application of Functional Data Analysis and FTIR-ATR Spectroscopy to Discriminate Wine Spirits Ageing Technologies" Mathematics 8, no. 6: 896. https://doi.org/10.3390/math8060896

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