Department of Food Commodity Science, Poznań University of Economics and Business, al. Niepodległości 10, 61-875 Poznań, Poland.
Department of Econometrics, Poznań University of Economics and Business, al. Niepodległości 10, 61-875 Poznań, Poland.
Talanta. 2017 Sep 1;172:215-220. doi: 10.1016/j.talanta.2017.05.036. Epub 2017 May 17.
The potential of fluorescence, UV-Vis spectroscopies as well as the low- and mid-level data fusion of both spectroscopies for the quantification of concentrations of roasted Coffea arabica and Coffea canephora var. robusta in coffee blends was investigated. Principal component analysis was used to reduce data multidimensionality. To calculate the level of undeclared addition, multiple linear regression (PCA-MLR) models were used with lowest root mean square error of calibration (RMSEC) of 3.6% and root mean square error of cross-validation (RMSECV) of 7.9%. LDA analysis was applied to fluorescence intensities and UV spectra of Coffea arabica, canephora samples, and their mixtures in order to examine classification ability. The best performance of PCA-LDA analysis was observed for data fusion of UV and fluorescence intensity measurements at wavelength interval of 60nm. LDA showed that data fusion can achieve over 96% of correct classifications (sensitivity) in the test set and 100% of correct classifications in the training set, with low-level data fusion. The corresponding results for individual spectroscopies ranged from 90% (UV-Vis spectroscopy) to 77% (synchronous fluorescence) in the test set, and from 93% to 97% in the training set. The results demonstrate that fluorescence, UV, and visible spectroscopies complement each other, giving a complementary effect for the quantification of roasted Coffea arabica and Coffea canephora var. robusta concentration in blends.
研究了荧光、紫外-可见光谱以及两者的低水平和中水平数据融合在定量混合咖啡中烘焙的阿拉比卡咖啡和罗布斯塔咖啡浓度中的潜力。主成分分析用于降低数据的多维性。为了计算未申报添加物的水平,使用多元线性回归(PCA-MLR)模型,其校准的最小均方根误差(RMSEC)为 3.6%,交叉验证的均方根误差(RMSECV)为 7.9%。应用 LDA 分析对阿拉比卡咖啡、罗布斯塔咖啡样品及其混合物的荧光强度和紫外光谱进行分析,以检验分类能力。在 60nm 的波长间隔下对紫外和荧光强度测量进行数据融合时,PCA-LDA 分析的性能最佳。LDA 表明,数据融合可以在测试集中实现超过 96%的正确分类(灵敏度),在训练集中实现 100%的正确分类,且低水平数据融合的结果最好。对于个别光谱学,在测试集中的结果范围从 90%(紫外-可见光谱学)到 77%(同步荧光),在训练集中的结果范围从 93%到 97%。结果表明,荧光、紫外和可见光谱相互补充,对混合咖啡中烘焙的阿拉比卡咖啡和罗布斯塔咖啡浓度的定量具有互补作用。