title: [Determination of chemical components in tobacco leaves by FT-NIR spectroscopy: study of influence of spectral ranges on PLS modeling].
abstract: NIR spectra of tobacco leaves were measured in the range of 12000 to 4000 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 9500-4231.2 cm(-1), 7502.1-4246.7 cm(-1) and 7502.1-4597.7 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.
authors.affiliation: Yuxi Hongta Group R&D center, Yuxi 653100, China.
authors.forename: Xiang
authors.initials: X
authors.lastname: Ma
authors.forename: Yi
authors.initials: Y
authors.lastname: Wang
authors.forename: Ya-dong
authors.initials: YD
authors.lastname: Wen
authors.forename: Li-hua
authors.initials: LH
authors.lastname: Xie
authors.forename: Yong-he
authors.initials: YH
authors.lastname: Cui
authors.forename: Jing
authors.initials: J
authors.lastname: Zhang
authors.forename: Hong-bo
authors.initials: HB
authors.lastname: Li
mesh_terms: D000465:Algorithms; D002138:Calibration; D005506:Food Contamination; D009584:Nitrogen / Q000032:analysis; D018515:Plant Leaves / Q000737:chemistry*; D012031:Refractometry; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D014026:Nicotiana / Q000737:chemistry*
chemical_list: D009584:Nitrogen