Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey

Attenuated total reflectance-Fourier transform infrared spectrometry and chemometrics model was used for determination of physicochemical properties (pH, redox potential, free acidity, electrical conductivity, moisture, total soluble solids (TSS), ash, and HMF) in honey samples. The reference values...

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Main Authors: Francisco Anguebes, Lucio Pat, Bassam Ali, Armando Guerrero, Atl V. Córdova, Mohamed Abatal, José P. Garduza
Format: Article
Language:English
Published: Wiley 2016-01-01
Series:Journal of Analytical Methods in Chemistry
Online Access:http://dx.doi.org/10.1155/2016/5427526
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author Francisco Anguebes
Lucio Pat
Bassam Ali
Armando Guerrero
Atl V. Córdova
Mohamed Abatal
José P. Garduza
author_facet Francisco Anguebes
Lucio Pat
Bassam Ali
Armando Guerrero
Atl V. Córdova
Mohamed Abatal
José P. Garduza
author_sort Francisco Anguebes
collection DOAJ
description Attenuated total reflectance-Fourier transform infrared spectrometry and chemometrics model was used for determination of physicochemical properties (pH, redox potential, free acidity, electrical conductivity, moisture, total soluble solids (TSS), ash, and HMF) in honey samples. The reference values of 189 honey samples of different botanical origin were determined using Association Official Analytical Chemists, (AOAC), 1990; Codex Alimentarius, 2001, International Honey Commission, 2002, methods. Multivariate calibration models were built using partial least squares (PLS) for the measurands studied. The developed models were validated using cross-validation and external validation; several statistical parameters were obtained to determine the robustness of the calibration models: (PCs) optimum number of components principal, (SECV) standard error of cross-validation, (R2cal) coefficient of determination of cross-validation, (SEP) standard error of validation, and (R2val) coefficient of determination for external validation and coefficient of variation (CV). The prediction accuracy for pH, redox potential, electrical conductivity, moisture, TSS, and ash was good, while for free acidity and HMF it was poor. The results demonstrate that attenuated total reflectance-Fourier transform infrared spectrometry is a valuable, rapid, and nondestructive tool for the quantification of physicochemical properties of honey.
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spelling doaj-art-24eeff361d8d40b2a211f9dd96295c732025-08-20T03:54:53ZengWileyJournal of Analytical Methods in Chemistry2090-88652090-88732016-01-01201610.1155/2016/54275265427526Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche HoneyFrancisco Anguebes0Lucio Pat1Bassam Ali2Armando Guerrero3Atl V. Córdova4Mohamed Abatal5José P. Garduza6Facultad de Química, Universidad Autónoma del Carmen, Calle 56 No. 4 Esquina Avenida Concordia, Colonia Benito Juárez, 24180 Ciudad del Carmen, CAM, MexicoColegio de la Frontera Sur, Av. Rancho Polígono 2-A, Ciudad Industrial, 24500 Lerma, CAM, MexicoFacultad de Ingeniería, Universidad Autónoma de Yucatán, Av. Industrias no Contaminantes por Periférico Norte, Cordemex, 150 Mérida, YUC, MexicoColegio de Postgraduados, Campus Tabasco, Periférico Carlos A. Molina s/n, 86500 Cárdenas, TAB, MexicoFacultad de Química, Universidad Autónoma del Carmen, Calle 56 No. 4 Esquina Avenida Concordia, Colonia Benito Juárez, 24180 Ciudad del Carmen, CAM, MexicoFacultad de Ingeniería, Universidad Autónoma del Carmen, Campus III, Avenida Central S/N, Esq. con Fracc. Mundo Maya, 24115 Ciudad del Carmen, CAM, MexicoFacultad de Química, Universidad Autónoma del Carmen, Calle 56 No. 4 Esquina Avenida Concordia, Colonia Benito Juárez, 24180 Ciudad del Carmen, CAM, MexicoAttenuated total reflectance-Fourier transform infrared spectrometry and chemometrics model was used for determination of physicochemical properties (pH, redox potential, free acidity, electrical conductivity, moisture, total soluble solids (TSS), ash, and HMF) in honey samples. The reference values of 189 honey samples of different botanical origin were determined using Association Official Analytical Chemists, (AOAC), 1990; Codex Alimentarius, 2001, International Honey Commission, 2002, methods. Multivariate calibration models were built using partial least squares (PLS) for the measurands studied. The developed models were validated using cross-validation and external validation; several statistical parameters were obtained to determine the robustness of the calibration models: (PCs) optimum number of components principal, (SECV) standard error of cross-validation, (R2cal) coefficient of determination of cross-validation, (SEP) standard error of validation, and (R2val) coefficient of determination for external validation and coefficient of variation (CV). The prediction accuracy for pH, redox potential, electrical conductivity, moisture, TSS, and ash was good, while for free acidity and HMF it was poor. The results demonstrate that attenuated total reflectance-Fourier transform infrared spectrometry is a valuable, rapid, and nondestructive tool for the quantification of physicochemical properties of honey.http://dx.doi.org/10.1155/2016/5427526
spellingShingle Francisco Anguebes
Lucio Pat
Bassam Ali
Armando Guerrero
Atl V. Córdova
Mohamed Abatal
José P. Garduza
Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey
Journal of Analytical Methods in Chemistry
title Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey
title_full Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey
title_fullStr Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey
title_full_unstemmed Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey
title_short Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey
title_sort application of multivariable analysis and ftir atr spectroscopy to the prediction of properties in campeche honey
url http://dx.doi.org/10.1155/2016/5427526
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