Combined NIR/MIR analysis: A novel method for the classification of complex substances such as Illicium verum Hook. F. and its adulterants

Wang, Yong, Mei, Minghua, Ni, Yongnian, & Kokot, Serge (2014) Combined NIR/MIR analysis: A novel method for the classification of complex substances such as Illicium verum Hook. F. and its adulterants. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 130, pp. 539-545.

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A novel combined near- and mid-infrared (NIR and MIR) spectroscopic method has been researched and developed for the analysis of complex substances such as the Traditional Chinese Medicine (TCM), Illicium verum Hook. F. (IVHF), and its noxious adulterant, Iuicium lanceolatum A.C. Smith (ILACS). Three types of spectral matrix were submitted for classification with the use of the linear discriminant analysis (LDA) method. The data were pretreated with either the successive projections algorithm (SPA) or the discrete wavelet transform (DWT) method. The SPA method performed somewhat better, principally because it required less spectral features for its pretreatment model. Thus, NIR or MIR matrix as well as the combined NIR/MIR one, were pretreated by the SPA method, and then analysed by LDA. This approach enabled the prediction and classification of the IVHF, ILACS and mixed samples. The MIR spectral data produced somewhat better classification rates than the NIR data. However, the best results were obtained from the combined NIR/MIR data matrix with 95–100% correct classifications for calibration, validation and prediction. Principal component analysis (PCA) of the three types of spectral data supported the results obtained with the LDA classification method.

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ID Code: 88737
Item Type: Journal Article
Refereed: Yes
Keywords: Near- and mid-infrared spectroscopy; Medicinal and adulterated samples; Illicium verum Hook. F. and Iuicium lanceolatum A.C. Smith; Chemometrics
DOI: 10.1016/j.saa.2014.04.062
ISSN: 1386-1425
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2014 Elsevier BV
Deposited On: 29 Oct 2015 23:38
Last Modified: 29 Oct 2015 23:38

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