Abstract:NIR spectra of tobacco leaves were measured in the range of 12 000 to 4 000 cm-1 using a Bruker MPA FT-NIR spectrometer. PLS calibration models were developed and optimized for rapid quantitative analysis of nicotine alkaloids, total sugar and total nitrogen contents in tobacco leaves. It was found that the prediction errors of the same component were significantly different when different spectral regions were used for PLS modeling, and the best spectral range is also different for each component. The study demonstrated that wavelength range selection is one of the important keys to optimizing the NIR calibration model. In this study it was found that the optimized calibration ranges for nicotine alkaloids, total sugar and total nitrogen are 9 500-4 231.2 cm-1, 7 502.1-4 246.7 cm-1 and 7 502.1-4 597.7 cm-1, respectively. The Root Mean Square Error of Cross Validation (RMSECV) of the three calibration models are 0.081 5, 0.808 and 0.056, respectively.
马 翔,王 毅,温亚东,谢丽华,崔永和,张 静,李洪博 . FT-NIR光谱仪测定烟草化学成分不同谱区范围对数学模型影响的研究 [J]. 光谱学与光谱分析, 2004, 24(04): 444-446.
MA Xiang, WANG Yi, WEN Ya-dong, XIE Li-hua, CUI Yong-he, ZHANG Jing, LI Hong-bo . Determination of Chemical Components in Tobacco Leaves by FT-NIR Spectroscopy: Study of Influence of Spectral Ranges on PLS Modeling . SPECTROSCOPY AND SPECTRAL ANALYSIS, 2004, 24(04): 444-446.
[1] Martin K A. Applied Spectroscopy Reviews, 1992, 27(4):325. [2] WU Jin-guang et al(吴瑾光等). Techniques and Applications of Infrared Fourier Transform Spectroscopy(近代傅里叶变换红外光谱技术及应用·上),Beijing(北京):Scientific and Technical Documents Publishing House(科学技术文献出版社),1994. 251. [3] WANG Dong-dan, LI Tian-fei, WU Yu-ping(王东丹, 李天飞, 吴玉萍). Journal of Yunnan University(云南大学学报), 2001, 23(2): 135. [4] ZHANG Jian-ping, XIE Wen-yan, SHU Ru-xin(张建平, 谢雯燕, 束茹欣). Tobacco Science & Technology(烟草科技/烟草化学), 1999, (3): 37. [5] YAN Yan-lu, ZHAO Long-lian, LI Jun-hui et al(严衍禄, 赵龙莲, 李军会等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2000, 20(6): 777. [6] WANG Shi-long, WANG Mei, SUN Xiao-yu et al(王世龙,王 玫,孙晓宇等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2003, 23(3): 481.