Rapid quantification of the adulteration of pomegranate juices by Raman spectroscopy and chemometrics

化学计量学 偏最小二乘回归 食品科学 决定系数 数学 化学 色谱法 统计
作者
Xuhui Gao,Desheng Fan,Wangfang Li,Xian Zhang,Zhijiang Ye,Yaoyong Meng,Timon Cheng‐Yi Liu
出处
期刊:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Elsevier BV]
卷期号:302: 123014-123014 被引量:25
标识
DOI:10.1016/j.saa.2023.123014
摘要

The juice drink industry has repeatedly been exposed to adulteration. Unscrupulous producers, for example, use cheap juice for substitution in the pursuit of more significant economic benefits, which presents a tremendous challenge for the control of the quality of drinks. The objective of this study was to apply Raman spectroscopy combined with chemometrics to rapidly quantify the adulteration concentration of apple juice or grape juice in pomegranate juice. Two supervised learning algorithms: partial least squares regression (PLSR) and support vector machine regression (SVR) were used to analyze the Raman spectra of 114 samples. The coefficient of determination (R2), root mean square error (RMSE), and residual prediction deviation (RPD) of the prediction set when using PLSR and SVR to predict the adulterated concentration of apple juice in pomegranate juice were 0.9357 and 0.9465, 6.446% and 5.974%, 3.945 and 4.322, respectively. The R2, RMSE, and RPD of the prediction set when using PLSR and SVR to predict the adulteration concentration of grape juice in pomegranate juice were 0.9501 and 0.9502, 6.334% and 5.571%, and 4.475 and 4.481, respectively. It was concluded that Raman spectroscopy combined with chemometrics has excellent potential for application as a rapid quantitative method to detect adulterated concentrations of pomegranate juice.
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