Classification and identification of Rhodobryum roseum Limpr. and its adulterants based on fourier-transform infrared spectroscopy (FTIR) and chemometrics

Fourier-transform infrared spectroscopy (FTIR) with the attenuated total reflectance technique was used to identify Rhodobryum roseum from its four adulterants. The FTIR spectra of six samples in the range from 4000 cm-1 to 600 cm-1 were obtained. The second-derivative transformation test was used t...

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Bibliographic Details
Published in:	PloS one 2017-02, Vol.12 (2), p.e0172359-e0172359
Main Authors:	Cao, Zhen, Wang, Zhenjie, Shang, Zhonglin, Zhao, Jiancheng
Format:	Article
Language:	eng
Subjects:	Adulterants Analysis Biology and Life Sciences Bryophyta Bryophyta - chemistry Bryophyta - classification Chemometrics Cluster analysis Clusters Discrete Wavelet Transform Engineering and Technology Feature extraction Fourier transforms Genera Infrared spectroscopy Moss Mosses Organic Chemicals - analysis Organic Chemicals - chemistry Physical Sciences Principal Component Analysis Principal components analysis Reflectance Research and Analysis Methods Rhodobryum Rhodobryum ontariense Rhodobryum roseum Species Species classification Spectra Spectroscopy Spectroscopy, Fourier Transform Infrared - methods Spectrum analysis Transformation Wavelet transforms
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Summary:	Fourier-transform infrared spectroscopy (FTIR) with the attenuated total reflectance technique was used to identify Rhodobryum roseum from its four adulterants. The FTIR spectra of six samples in the range from 4000 cm-1 to 600 cm-1 were obtained. The second-derivative transformation test was used to identify the small and nearby absorption peaks. A cluster analysis was performed to classify the spectra in a dendrogram based on the spectral similarity. Principal component analysis (PCA) was used to classify the species of six moss samples. A cluster analysis with PCA was used to identify different genera. However, some species of the same genus exhibited highly similar chemical components and FTIR spectra. Fourier self-deconvolution and discrete wavelet transform (DWT) were used to enhance the differences among the species with similar chemical components and FTIR spectra. Three scales were selected as the feature-extracting space in the DWT domain. The results show that FTIR spectroscopy with chemometrics is suitable for identifying Rhodobryum roseum and its adulterants.
ISSN:	1932-6203 1932-6203