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多变量分析和傅里叶变换红外衰减全反射光谱法在坎佩切蜂蜜性质预测中的应用

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

作者信息

Anguebes Francisco, Pat Lucio, Ali Bassam, Guerrero Armando, Córdova Atl V, Abatal Mohamed, Garduza José P

机构信息

Facultad de Química, Universidad Autónoma del Carmen, Calle 56 No. 4 Esquina Avenida Concordia, Colonia Benito Juárez, 24180 Ciudad del Carmen, CAM, Mexico.

Colegio de la Frontera Sur, Av. Rancho Polígono 2-A, Ciudad Industrial, 24500 Lerma, CAM, Mexico.

出版信息

J Anal Methods Chem. 2016;2016:5427526. doi: 10.1155/2016/5427526. Epub 2016 Dec 14.

DOI:10.1155/2016/5427526
PMID:28070445
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5192472/
Abstract

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 1990; , 2001 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, () coefficient of determination of cross-validation, (SEP) standard error of validation, and () 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.

摘要

衰减全反射傅里叶变换红外光谱法和化学计量学模型用于测定蜂蜜样品中的理化性质（pH值、氧化还原电位、游离酸度、电导率、水分、总可溶性固形物（TSS）、灰分和羟甲基糠醛（HMF））。采用1990年、2001年、2002年的方法测定了189个不同植物来源蜂蜜样品的参考值。使用偏最小二乘法（PLS）对所研究的测量值建立多元校准模型。所建立的模型通过交叉验证和外部验证进行验证；获得了几个统计参数以确定校准模型的稳健性：主成分数（PCs）、交叉验证标准误差（SECV）、交叉验证决定系数（）、验证标准误差（SEP）以及外部验证决定系数和变异系数（CV）。pH值、氧化还原电位、电导率、水分、TSS和灰分的预测准确性良好，而游离酸度和HMF的预测准确性较差。结果表明，衰减全反射傅里叶变换红外光谱法是一种用于定量蜂蜜理化性质的有价值、快速且无损的工具。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/d587840f3e46/JAMC2016-5427526.006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/1c3c2b1222df/JAMC2016-5427526.001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/650824020252/JAMC2016-5427526.002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/584f84ffbbc8/JAMC2016-5427526.003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/5f2da16ba691/JAMC2016-5427526.004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/0a9c6c135dd0/JAMC2016-5427526.005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/d587840f3e46/JAMC2016-5427526.006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/1c3c2b1222df/JAMC2016-5427526.001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/650824020252/JAMC2016-5427526.002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/584f84ffbbc8/JAMC2016-5427526.003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/5f2da16ba691/JAMC2016-5427526.004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/0a9c6c135dd0/JAMC2016-5427526.005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4624/5192472/d587840f3e46/JAMC2016-5427526.006.jpg

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