光谱学与光谱分析, 2014, 34 (8): 2143, 网络出版: 2014-08-18
荧光光谱结合PCA-ED与PLSR方法检测市售橙汁饮品
Commercial Orange Juice Beverages Detection by Fluorescence Spectroscopy Combined with PCA-ED and PLSR Methods
荧光光谱 橙汁饮品 光谱检测 含量估测 Fluorescence spectroscopy Orange juice beverages Spectrum detection Content estimation
摘要
为实现市售橙汁饮品的有效鉴别, 在分析与比较100%橙汁与橙汁饮料两类饮品荧光特性差异的基础上, 采用主成分分析结合欧氏距离(PCA-ED)的方法对市售橙汁饮品进行定性鉴别, 效果良好。同时, 利用荧光光谱结合偏最小二乘回归(PLSR)方法建立市售橙汁饮品中橙汁含量的估测模型, PLSR多元校正模型的相关系数r为0.997, 校正均方根误差为0.87%, 预测均方根误差为2.05%, 实验结果表明, 校正模型较准确地反映了市售橙汁饮品中的真实橙汁含量。通过采用荧光光谱结合化学计量学方法从定性与定量两方面对市售橙汁饮品的鉴别方法进行探究, 研究结果可为市售橙汁饮品的鉴别与掺伪检测提供一种新的思路, 也可为橙汁原料的品质控制提供一定的参考依据。
Abstract
In order to classify the orange juice beverages effectively, the fluorescence character differences of two kinds of orange juice beverages including 100% orange juice and orange drink were analyzed and compared, principal component analysis combined with Euclidean distance was adopted to classify two kinds of orange juice beverages, and ideal classification results were obtained. Meanwhile, the orange juice content estimation model was established by using fluorescence spectroscopy combined with partial least squares regression method, and the correlation coefficient R, root mean square error of calibration RMSEC and root mean square error of prediction RMSEP were 0.997, 0.87% and 2.05%, respectively. The experimental results indicate that the calibration model offers comparatively accurate content estimation, which reflect the actual orange juice content in the commercial orange juice beverages. The exploration to classify orange juice beverages was carried out from two aspects of qualitative and quantitative analysis by employing fluorescence spectroscopy combined with chemometrics method, which can provide a new idea for the classification and adulteration detection of commercial orange juice beverages, and also can give certain reference basis for the quality control of orange juice raw material.
胡扬俊, 朱纯, 陈国庆, 张咏, 孔凡标, 李润, 朱焯炜, 王旭, 高淑梅. 荧光光谱结合PCA-ED与PLSR方法检测市售橙汁饮品[J]. 光谱学与光谱分析, 2014, 34(8): 2143. HU Yang-jun, ZHU Chun, CHEN Guo-qing, ZHANG Yong, KONG Fan-biao, LI Run, ZHU Zhuo-wei, WANG Xu, GAO Shu-mei. Commercial Orange Juice Beverages Detection by Fluorescence Spectroscopy Combined with PCA-ED and PLSR Methods[J]. Spectroscopy and Spectral Analysis, 2014, 34(8): 2143.