Wavelet-based classification and influence matrix analysis method for the fast discrimination of Chinese herbal medicines according to the geographical origins with near infrared spectroscopy

Abstract

A discriminant analysis technique using wavelet transformation (WT) and in°uence matrix analysis (CAIMAN) method is proposed for the near infrared (NIR) spectroscopy classi¯-cation. In the proposed methodology, NIR spectra are decomposed by WT for data compression and a forward feature selection is further employed to extract the relevant information from the wavelet coe±cients, reducing both classi¯cation errors and model complexity. A discriminant-CAIMAN (D-CAIMAN) method is utilized to build the classi¯cation model in wavelet domain on the basis of reduced wavelet coe±cients of spectral variables. NIR spectra data set of 265 salviae miltiorrhizae radix samples from 9 di®erent geographical origins is used as an example to test the classi¯cation performance of the algorithm. For a comparison, k-nearest neighbor (KNN), linear discriminant analysis (LDA) and quadratic discriminant analysis (QDA) methods are also employed. D-CAIMAN with wavelet-based feature selection (WD-CAIMAN) method shows the best performance, achieving the total classi¯cation rate of 100% in both cross-validation set and prediction set. It is worth noting that the WD-CAIMAN classi¯er also shows improved sensitivity, selectivity and model interpretability in the classi¯cations.

Rapid determination of tannin in Danshen and Guanxinning injections using UV spectrophotometry for quality control

“…Therefore, spectral technologies represented by°uorescence and nearinfrared (NIR) spectroscopy have received increased attention. [9][10][11] For example, Hung et al 12 used°u orescence°ow-injection analysis to determine the tannin and total amino acid content in tea as a method to rate the quality of fermented tea. Xing et al 13 proposed a method that based on the¯rstorder octave interval of the aromatic-carbon carbon-hydrogen bond (5430-5839 cm À1 ) of NIR spectroscopy can accurately re°ect the structural characteristics of the tannin component.…”

Origin identification of Cornus officinalis based on PCA-SVM combined model

“…The spectral differences re ect the differences in the composition of Chinese Herbal Medicines samples, which can be visually expressed by the degree of overlap of spectral lines in the overlapping spectral graphs. These intuitive differences can be quantitatively expressed by the Euclidean distance between spectral vectors, the cosine of the included angle, and the Pearson linear correlation coe cient [30,37]. In this paper, the Pearson linear correlation coe cient (Eq.…”

“…Infrared spectroscopy has the advantages of fast analysis speed, low cost, non-destructive, and simple pretreatment. In recent years, it has been widely used in the eld of quality control of Chinese Herbal Medicines [28][29][30][31].…”

Species authentication and geographical origin discrimination of herbal medicines by near infrared spectroscopy: A review

“…Partial least squares regression (PLSR) models were also developed, and the model transformation between two NIR instruments was also investigated and successfully applied for the quantification of six organic acids in Lonicerae Japonicae Flos. Li et al [81] also developed a Wavelet-based classification and influence matrix analysis method for the rapid discrimination of Salviae miltiorrhizae radix according to the geographical origins with NIR, with no misjudgment in both cross validation and prediction set.…”