Simultaneous Determination of Instant Coffee, Plant Fat and Sugar Content in Liquid Coffee Beverage by Diffuse Reflectance Near-Infrared Spectroscopy
WANG Dong1, 2, 3, MIN Shun-geng1*, DUAN Jia1, XIONG Yan-mei1, LI Qian-qian1
1. College of Science, China Agricultural University, Beijing 100193, China 2. Beijing Research Center for Information Technology in Agriculture, Beijing 100097, China 3. Beijing Research Center for Agri-food Testing and Farmland Monitoring, Beijing 100097, China
摘要： 采用傅里叶变换近红外光谱仪结合积分球附件对20个液体咖啡样品以漫反射方式采集近红外光谱，分别针对速溶咖啡、植脂末、糖建立定量校正模型。结果表明，速溶咖啡、植脂末、糖的模型因子数分别为4, 5和4;测定系数(R2)分别为98.97%, 99.94%和99.18%;校正均方根误差(root mean square error of calibration, RMSEC)分别为1.62, 0.42和1.58;交互验证均方根误差(root mean square error of cross validation, RMSECV)分别为2.12, 0.72和2.01;F检验结果表明，三个模型的预测值-化学值之间存在极显著的相关关系。研究表明，近红外光谱法可以快速、准确地对液体咖啡中的三种主要成分同时进行定量测定，可为液体咖啡质量控制以及液体配方食品中具有一定组成的混合物的定量测定提供一定的参考。
关键词：近红外光谱;漫反射光谱;定量校正模型;速溶咖啡;植脂末;糖
Abstract：The diffuse reflectance near-infrared spectra of 20 liquid coffee beverage samples were collected by FT-NIR spectrometer combined with integral sphere in this thesis. The quantitative calibration models of instant coffee, plant fat and sugar were developed respectively. The result indicated that for the calibration models of instant coffee, plant fat and sugar, the dimensions of the calibration models are 4, 5 and 4 respectively; the determination coefficients (R2) are 98.97%, 99.94% and 99.18% respectively; the root mean square errors of calibration (RMSEC) are 1.62, 0.42 and 1.58 respectively; the root mean square errors of cross validation (RMSECV) are 2.12, 0.72 and 2.01 respectively. The result of F-test showed that a very remarkable correlation exists between the estimated and specified values for each calibration model. This research indicated that NIR spectroscopy can be applied in the rapid, accurate and simultaneous determination of the three main ingredients in liquid coffee beverage. This research can provide some references for the quality control of liquid coffee beverage and the determination of the substance with chemical-fixation composition in liquid formula food.
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