Fu Xia-ping, Ying Yi-bin, Lu Hui-shan, Yu Hai-yan, Xu Hui-rong
College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310029, China.
Guang Pu Xue Yu Guang Pu Fen Xi. 2007 May;27(5):911-5.
Near infrared (NIR) spectroscopy is an instrumental method, which was widely studied and used for rapid and nondestructive detection of internal qualities of agricultural products. Statistical modeling is a very important and difficult process in NIR detection to establish the relationship between nondestructive NIR spectral data and interested quality index of the products. Classical multivariate calibration methods such as partial least square regression (PLSR), principle component regression (PCR), stepwise multilinear regression (SMLR) were often used for modeling. In the present study, besides these algorithms, another mixed algorithm was adopted for establishing a nonlinear model of NIR spectra and Magness Taylor(MT) firmness of "Xueqing" pears. The mixed algorithm was combined with SMLR and artificial neural network (ANN). NIR diffuse reflectance spectra of intact pears were measured in the spectral range of 800-2630 nm using InGaAs detector. However, only spectral information between 800 and 2500 nm was used for modeling because of the low signal to noise ratio beyond 2500 nm. Comparing the classical multivariate calibration methods of PLSR, PCR and SMLR, the modeling results using PLSR method were much better than the other two methods. Moreover, models based on original spectra turned out better results than models based on derivative spectra for all the three methods. The best results were r = 0.87, RMSEC = 3.88 N of calibration and r = 0.84, and RMSEP = 4.26 N of validation by using PLSR method based on original spectra. The mixed algorithm also performed better than SMLR and PCR, but was a bit worse than PLSR: r = 0.85, RMSEC = 4.15 N of calibration and r = 0.82, and RMSEP = 4.67 N of validation. The results indicated that fruit NIR spectra could be used for MT-firmness prediction when a proper algorithm was chosen, however, further study on statistic modeling is still necessary to improve the predicting performance.
近红外(NIR)光谱法是一种仪器分析方法,已被广泛研究并用于农产品内部品质的快速无损检测。在近红外检测中,统计建模是一个非常重要且困难的过程,用于建立无损近红外光谱数据与产品感兴趣的品质指标之间的关系。经典的多元校准方法,如偏最小二乘回归(PLSR)、主成分回归(PCR)、逐步多元线性回归(SMLR),常被用于建模。在本研究中,除了这些算法外,还采用了另一种混合算法来建立近红外光谱与“雪青”梨的麦格尼斯·泰勒(MT)硬度的非线性模型。该混合算法将SMLR与人工神经网络(ANN)相结合。使用InGaAs探测器在800 - 2630 nm光谱范围内测量完整梨的近红外漫反射光谱。然而,由于2500 nm以上的信噪比低,仅使用800至2500 nm之间的光谱信息进行建模。比较PLSR、PCR和SMLR这三种经典多元校准方法,使用PLSR方法的建模结果比其他两种方法好得多。此外,对于这三种方法,基于原始光谱的模型比基于导数光谱的模型结果更好。使用基于原始光谱的PLSR方法进行校准的最佳结果为r = 0.87,RMSEC = 3.88 N,验证的最佳结果为r = 0.84,RMSEP = 4.26 N。混合算法的表现也优于SMLR和PCR,但比PLSR稍差:校准的r = 0.85,RMSEC = 4.15 N,验证的r = 0.82,RMSEP = 4.67 N。结果表明,当选择合适的算法时,水果近红外光谱可用于MT硬度预测,然而,仍有必要进一步研究统计建模以提高预测性能。