原位
分光计
近红外光谱
相关系数
分析化学(期刊)
主成分分析
傅里叶变换红外光谱
光谱学
均方误差
决定系数
材料科学
生物系统
化学
数学
色谱法
光学
统计
物理
有机化学
量子力学
生物
作者
Xinya Yang,Xiaoqi Zhuang,Rongjing Shen,Mengjiao Sang,Zhaoqing Meng,Guiyun Cao,Hengchang Zang,Lei Nie
标识
DOI:10.1016/j.saa.2024.124108
摘要
This study aimed to perform a rapid in situ assessment of the quality of peach kernels using near infrared (NIR) spectroscopy, which included identifications of authenticity, species, and origins, and amygdalin quantitation. The in situ samples without any pretreatment were scanned by a portable MicroNIR spectrometer, while their powder samples were scanned by a benchtop Fourier transform NIR (FT-NIR) spectrometer. To improve the performance of the in situ determination model of the portable NIR spectrometer, the two spectrometers were first compared in identification and content models of peach kernels for both in situ and powder samples. Then, the in situ sample spectra were transferred by using the improved principal component analysis (IPCA) method to enhance the performance of the in situ model. After model transfer, the prediction performance of the in situ sample model was significantly improved, as shown by the correlation coefficient in the prediction set (Rp), root means square error of prediction (RMSEP), and residual prediction deviation (RPD) of the in situ model reached 0.9533, 0.0911, and 3.23, respectively, and correlation coefficient in the test set (Rt) and root means square error of test (RMSET) reached 0.9701 and 0.1619, respectively, suggesting that model transfer could be a viable solution to improve the model performance of portable spectrometers.
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