Ultraviolet-visible diffuse reflectance spectroscopy combined with chemometrics for rapid discrimination of Angelicae Sinensis Radix from its four similar herbs.

Analytical Methods : Advancing Methods and Applications
Xihui BianGeert van Kollenburg

Abstract

Ultraviolet-visible diffuse reflectance spectroscopy (UV-Vis DRS) combined with chemometrics was used for the first time to differentiate Angelicae Sinensis Radix (ASR) from four other similar herbs (either from the same genus or of similar appearance). A total of 191 samples, including 40 ASR, 39 Angelicae Pubescentis Radix (APR), 38 Chuanxiong Rhizoma (CR), 35 Atractylodis Macrocephalae Rhizoma (AMR) and 39 Angelicae Dahuricae Radix (ADR), were collected and divided into the training and prediction sets. Principal component analysis (PCA) was used for observing the sample cluster tendency of the calibration set. Different preprocessing methods were investigated and the optimal preprocessing combination was selected according to spectral signal characteristics and three-dimensional PCA (3D PCA) clustering results. The final discriminant model was built using extreme learning machine (ELM). The exploratory studies on the raw spectra and their 3D PCA scores indicate that the classification of the five herbs cannot be achieved by PCA of the raw spectra. Autoscaling, continuous wavelet transform (CWT) and Savitzky-Golay (SG) smoothing can improve the clustering results to different degrees. Furthermore, their combination in the or...Continue Reading

References

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