Pattern recognition: An effective tool for quality assessment of herbal medicine based on chemical information

Wang, Ye; Zuo, Zhiyan; Wang, Yuan‐Zhong

doi:10.1002/cem.3305

Cited by 6 publications

(5 citation statements)

References 117 publications

(148 reference statements)

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“…PCA uses several PC linear to the original dataset and contains most of the original information. OPLS-DA is a supervised pattern recognition method that is combined with orthogonal signal correction and PLS-DA, often for significantly different metabolites and unigenes, and is used for the select different metabolites/genes based on variable importance in projection (VIP) ≥ 1 [ 21 ].…”

Section: Methodsmentioning

confidence: 99%

Primary Investigation of Phenotypic Plasticity in Fritillaria cirrhosa Based on Metabolome and Transcriptome Analyses

Wang

Xie²,

Yang³

et al. 2022

Cells

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Phenotypic plasticity refers to the adaptability of an organism to a heterogeneous environment. In this study, the differential gene expression and compositional changes in Fritillaria cirrhosa during phenotypic plasticity were evaluated using transcriptomic and metabolomic analyses. The annotation profiles of 1696 differentially expressed genes from the transcriptome between abnormal and normal phenotypes revealed that the main annotation pathways were related to the biosynthesis of amino acids, ABC transporters, and plant–pathogen interactions. According to the metabolome, the abnormal phenotype had 36 upregulated amino acids, including tryptophan, proline, and valine, which had a 3.77-fold higher relative content than the normal phenotype. However, saccharides and vitamins were found to be deficient in the abnormal phenotypes. The combination profiles demonstrated that phenotypic plasticity may be an effective strategy for overcoming potential stress via the accumulation of amino acids and regulation of the corresponding genes and transcription factors. In conclusion, a pathogen attack on F. cirrhosa may promote the synthesis of numerous amino acids and transport them into the bulbs through ABC transporters, which may further result in phenotypic variation. Our results provide new insights into the potential mechanism of phenotypic changes.

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Section: Methodsmentioning

confidence: 99%

Primary Investigation of Phenotypic Plasticity in Fritillaria cirrhosa Based on Metabolome and Transcriptome Analyses

Wang

Xie²,

Yang³

et al. 2022

Cells

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“…However, it is often more time consuming (2-7h) and laborious. Due to its hydrogen-containing groups, such as C-H, C-N, and O-H, Fourier transform near-infrared (FT-NIR) spectroscopy could be an effective quantitative approach when combined with chemometric methods [27,28]. FT-NIR also has an advantage of convenience and non-destruction on rapid quantitative analysis [29].…”

Section: Quantitative Analysis Of Melanoidins Via Near Infrared/ft-ni...mentioning

confidence: 99%

Differentiation of three different types of high temperature Daqu based on melanoidin content and mid-infrared spectrum analysis

Shanqimuge¹,

Wang²,

Tang³

et al. 2022

Preprint

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Yellow Daqu, black Daqu and white Daqu are three common types of high-temperature Daqu, which are formed due to the difference of Daqu Culture microenvironment. However, the judgment of these types still depends on sensory evaluation, and no objective evaluation depends on data. In this study, three types of Daqu were differentiated based on melanoidin content and mid-infrared spectrum analysis for the first time. Mid-infrared spectroscopy technology was utilized for the rapid identification of different types of Daqu based on various functional group information and fingerprint characteristics. Furthermore, near-infrared spectroscopy technology provides us an effective and efficient quantitative approach of melanoidins. In addition, the difference in microbial community structure and metabolites including volatiles and non-volatiles were further analyzed through multivariate statistical analysis. Microbial functional potential prediction using PICRUSt2 shows that bacteria plays an important role in white and yellow Daqu, while fungi were main contributors in black and yellow Daqu in major metabolic pathway. Bacillales, Lactobacillales, Pseudonocardiales and Eurotiales, and Wallemiales were also selected as biomarker microbes in order’s level.

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“…However, NIR spectroscopy is rich in information that is both relevant and irrelevant, and which overlaps seriously [ 25 ]. Therefore, it is necessary to combine it with stoichiometric methods to analyze the source of traditional Chinese medicine [ 26 ]. Lv et al traced 360 dendrobium from 12 different origins using NIR spectroscopy combined with stoichiometric analysis, with an accuracy of 91.85% [ 27 ].…”

Section: Introductionmentioning

confidence: 99%

Protected Geographical Indication Discrimination of Zhejiang and Non-Zhejiang Ophiopogonis japonicus by Near-Infrared (NIR) Spectroscopy Combined with Chemometrics: The Influence of Different Stoichiometric and Spectrogram Pretreatment Methods

et al. 2023

Molecules

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This paper presents a method for the protected geographical indication discrimination of Ophiopogon japonicus from Zhejiang and elsewhere using near-infrared (NIR) spectroscopy combined with chemometrics. A total of 3657 Ophiopogon japonicus samples from five major production areas in China were analyzed by NIR spectroscopy, and divided into 2127 from Zhejiang and 1530 from other areas (‘non-Zhejiang’). Principal component analysis (PCA) was selected to screen outliers and eliminate them. Monte Carlo cross validation (MCCV) was introduced to divide the training set and test set according to a ratio of 3:7. The raw spectra were preprocessed by nine single and partial combination methods such as the standard normal variable (SNV) and derivative, and then modeled by partial least squares regression (PLSR), a support vector machine (SVM), and soft independent modeling of class analogies (SIMCA). The effects of different pretreatment and chemometrics methods on the model are discussed. The results showed that the three pattern recognition methods were effective in geographical origin tracing, and selecting the appropriate preprocessing method could improve the traceability accuracy. The accuracy of PLSR after the standard normal variable was better, with R2 reaching 0.9979, while that of the second derivative was the lowest with an R2 of 0.9656. After the SNV pretreatment, the accuracy of the training set and test set of SVM reached the highest values, which were 99.73% and 98.40%, respectively. The accuracy of SIMCA pretreated with SNV and MSC was the highest for the origin traceability of Ophiopogon japonicus, which could reach 100%. The distance between the two classification models of SIMCA-SNV and SIMCA-MSC is greater than 3, indicating that the SIMCA model has good performance.

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Pattern recognition: An effective tool for quality assessment of herbal medicine based on chemical information

Cited by 6 publications

References 117 publications

Primary Investigation of Phenotypic Plasticity in Fritillaria cirrhosa Based on Metabolome and Transcriptome Analyses

Primary Investigation of Phenotypic Plasticity in Fritillaria cirrhosa Based on Metabolome and Transcriptome Analyses

Differentiation of three different types of high temperature Daqu based on melanoidin content and mid-infrared spectrum analysis

Protected Geographical Indication Discrimination of Zhejiang and Non-Zhejiang Ophiopogonis japonicus by Near-Infrared (NIR) Spectroscopy Combined with Chemometrics: The Influence of Different Stoichiometric and Spectrogram Pretreatment Methods

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