Second-order calibration in combination with fluorescence fibre-optic data modelling as a novel approach for monitoring the maturation stage of plums

Monago Maraña,Olga, Domínguez Manzano, Jaime, Muñoz de la Peña, Arsenio, Durán Merás, Isabel y Muñoz de la Peña, Arsenio . (2020) Second-order calibration in combination with fluorescence fibre-optic data modelling as a novel approach for monitoring the maturation stage of plums. Chemometrics and Intelligent Laboratory Systems

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Título Second-order calibration in combination with fluorescence fibre-optic data modelling as a novel approach for monitoring the maturation stage of plums
Autor(es) Monago Maraña,Olga
Domínguez Manzano, Jaime
Muñoz de la Peña, Arsenio
Durán Merás, Isabel
Muñoz de la Peña, Arsenio
Materia(s) Ciencias
Abstract In this work, non-destructive autofluorescence of plums was employed to study the chlorophylls’ concentration evolution along the maturation process. For that, excitation-emission matrices (EEMs), containing full fluorescence information, were collected with a fibre-optic, assembled to a spectrofluorometer. Data analysis was performed with several second-order multi-way algorithms, such as parallel factor analysis (PARAFAC), multi-way partial least-squares (N-PLS), unfolded partial least-squares (U-PLS), and multivariate curve resolution-alternating least-squares (MCR-ALS). Firstly, the EEMs of each plum, collected each week along the maturation process, were processed with PARAFAC. Two components were used to model the data and the excitation and emission loadings were obtained. Score values for the first PARAFAC component showed a clear evolution with time, increasing during the first five weeks, and decreasing for the last weeks. Also, the chlorophyll concentrations obtained by HPLC analysis, in the skin and the whole fruit, were compared with those obtained with different algorithms mentioned before. Best results were obtained in the case of skin for all algorithms. Similar correlation coefficients (r) were obtained in all cases (0.899 (PARAFAC); 0.940 (U-PLS); 0.936 (N-PLS) and 0.958 (MCR-ALS)). When the elliptical joint confidence region (EJCR), for the slope and intercept, were calculated, the theoretically expected values of 1 and 0, for the slope and intercept, respectively, were included in all ellipses. However, it was observed that for the skin data and U-PLS and N-PLS algorithms, the EJCR confidence region was smaller than in the other cases.
Palabras clave Fibre-optic
Plums
Autofluorescence
Second-order algorithms
discriminant-analysis
Editor(es) Elsevier
Fecha 2020-04-15
Formato application/pdf
Identificador bibliuned:DptoCA-FCIE-Articulos-Omonago-0017
http://e-spacio.uned.es/fez/view/bibliuned:DptoCA-FCIE-Articulos-Omonago-0017
DOI - identifier https://doi.org/10.1016/j.chemolab.2020.103980
ISSN - identifier 0169-7439
Nombre de la revista Chemometrics and Intelligent Laboratory Systems
Número de Volumen 199
Publicado en la Revista Chemometrics and Intelligent Laboratory Systems
Idioma eng
Versión de la publicación acceptedVersion
Tipo de recurso Article
Derechos de acceso y licencia http://creativecommons.org/licenses/by-nc-nd/4.0
info:eu-repo/semantics/openAccess
Tipo de acceso Acceso abierto
Notas adicionales La versión registrada de este artículo, publicado por primera vez en Chemometrics and Intelligent Laboratory Systems (2020) 199, está disponible en línea en el sitio web del editor: Elsevier, https://doi.org/10.1016/j.chemolab.2020.103980
Notas adicionales The registered version of this article, first published in Chemometrics and Intelligent Laboratory Systems (2020)199, is available online at the publisher's website: Elsevier, https://doi.org/10.1016/j.chemolab.2020.103980

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Creado: Tue, 20 Feb 2024, 23:01:40 CET