scholarly journals Application of UHPLC Fingerprints Combined with Chemical Pattern Recognition Analysis in the Differentiation of Six Rhodiola Species

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6855
Author(s):  
Didi Ma ◽  
Lijun Wang ◽  
Yibao Jin ◽  
Lifei Gu ◽  
Xiean Yu ◽  
...  

Rhodiola, especially Rhodiola crenulate and Rhodiola rosea, is an increasingly widely used traditional medicine or dietary supplement in Asian and western countries. Because of the phytochemical diversity and difference of therapeutic efficacy among Rhodiola species, it is crucial to accurately identify them. In this study, a simple and efficient method of the classification of Rhodiola crenulate, Rhodiola rosea, and their confusable species (Rhodiola serrata, Rhodiola yunnanensis, Rhodiola kirilowii and Rhodiola fastigiate) was established by UHPLC fingerprints combined with chemical pattern recognition analysis. The results showed that similarity analysis and principal component analysis (PCA) could not achieve accurate classification among the six Rhodiola species. Linear discriminant analysis (LDA) combined with stepwise feature selection exhibited effective discrimination. Seven characteristic peaks that are responsible for accurate classification were selected, and their distinguishing ability was successfully verified by partial least-squares discriminant analysis (PLS-DA) and orthogonal partial least-squares discriminant analysis (OPLS-DA), respectively. Finally, the components of these seven characteristic peaks were identified as 1-(2-Hydroxy-2-methylbutanoate) β-D-glucopyranose, 4-O-glucosyl-p-coumaric acid, salidroside, epigallocatechin, 1,2,3,4,6-pentagalloyglucose, epigallocatechin gallate, and (+)-isolarisiresinol-4′-O-β-D-glucopyranoside or (+)-isolarisiresinol-4-O-β-D-glucopyranoside, respectively. The results obtained in our study provided useful information for authenticity identification and classification of Rhodiola species.

2007 ◽  
Vol 15 (5) ◽  
pp. 291-297 ◽  
Author(s):  
Hai-Yan Fu ◽  
Shuang-Yan Huan ◽  
Lu Xu ◽  
Li-Juan Tang ◽  
Jian-Hui Jiang ◽  
...  

Moving window partial least-squares (MWPLS) regression was coupled with near infrared (NIR) spectra as an interval selection method to improve the performance of partial least squares discriminant analysis (PLSDA) models. This method was applied to the identification of artificial bezoar, natural bezoar and artificial bezoar in natural bezoar and compared with some traditional pattern recognition methods, such as principal component analysis (PCA), linear discriminant analysis (LDA) and PLSDA. The introduction of MWPLS enhanced the performance of PLSDA model. The results obtained showed that moving window partial least-squares discriminant analysis (MWPLSDA) can extract wavelength intervals with useful information and build simple yet effective classification models that can significantly improve the classification accuracy. Then MWPLSDA was used to identify natural bezoar by geographical origin; a promising result was achieved. The work showed that MWPLSDA could be a promising method for quality analysis and discrimination of chinese medical herbs according to geographical origin.


2020 ◽  
Vol 43 (2) ◽  
pp. 233-249
Author(s):  
Adolphus Wagala ◽  
Graciela González-Farías ◽  
Rogelio Ramos ◽  
Oscar Dalmau

This study involves the implentation of the extensions of the partial least squares generalized linear regression (PLSGLR) by combining  it with logistic regression and  linear  discriminant analysis,  to  get a  partial least  squares generalized linear  regression-logistic regression model (PLSGLR-log),  and a partial least squares generalized linear regression-linear discriminant analysis model (PLSGLRDA). A comparative  study  of  the obtained  classifiers with   the   classical  methodologies like  the k-nearest  neighbours (KNN), linear   discriminant  analysis  (LDA),   partial  least  squares discriminant analysis (PLSDA),  ridge  partial least squares (RPLS), and  support vector machines(SVM)  is  then  carried  out.    Furthermore,  a  new  methodology known as kernel multilogit algorithm (KMA) is also implemented and its performance compared with those of the other classifiers. The KMA emerged as the best classifier based  on the lowest  classification error  rates  compared to  the  others  when  applied   to  the  types   of data   are considered;  the  un- preprocessed and preprocessed.


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