Implementation of a Single Quadrupole Mass Spectrometer for Fingerprint Analysis: Venenum bufonis as a Case Study

Wei, Wenlong; Wang, Xia; Hou, Jinjun; Yao, Changliang; Feng, Zijin; Han, Sumei; Deng, Yanping; Huang, Yong; Wu, Wanying; Guo, De‐An

doi:10.3390/molecules23113020

Cited by 8 publications

(3 citation statements)

References 22 publications

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“…Among them, HPLC is the commonly used method for fingerprint analysis [15,16]. However, time-consuming, inability to withstand high pressure and large use of organic solvent are considered as its imperfections [17]. These problems have been successfully solved by UHPLC, which means introducing an environment-friendly approach to drug analysis achieved in a shorter run time with increasing resolution [17].…”

Section: Introductionmentioning

confidence: 99%

“…However, time-consuming, inability to withstand high pressure and large use of organic solvent are considered as its imperfections [17]. These problems have been successfully solved by UHPLC, which means introducing an environment-friendly approach to drug analysis achieved in a shorter run time with increasing resolution [17]. However, UHPLC fingerprints of traditional Chinese medicines often contain highly complex multivariate data that make their interpretation difficult.…”

Section: Introductionmentioning

confidence: 99%

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

Wang

Jin

et al. 2021

Molecules

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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.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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

Wang

Jin

et al. 2021

Molecules

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“…Taking advantage of selective ion monitoring (SIM) of single MS, multi‐component can be monitored in a targeted mode. Previous studies on TCM by single MS had demonstrated its superiority in quality control of TCM 12–14 …”

Section: Introductionmentioning

confidence: 99%

An integrated strategy for holistic quality identification of Chinese patent medicine: Liuwei Dihuang Pills as a case study

Wang

Zhang

et al. 2020

Phytochemical Analysis

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Introduction Liuwei Dihuang Pills (concentrated pills, simplified as LWDHP), one of the most famous classic Chinese Patent Medicine (CPM), is produced by hundreds of pharmaceutical manufacturers with billions of Chinese yuan (CNY) in annual sales. However, current quality identification of LWDHP mainly relies on a thin‐layer chromatography (TLC) method that is complicated and deficient. Objective The goal of this study is to simplify the identification process and provide a more comprehensive quality assessment method of LWDHP by developing an integrated strategy based on liquid chromatography coupled with mass spectrometry (LC‐MS) and multivariate statistical analysis. Method Ultra‐high‐performance liquid chromatography coupled with quadrupole‐time of flight mass spectrometry (UHPLC/QTOF‐MS) was employed to perform qualitative analyses of a home‐made LWDHP and to establish a stably characteristic compound library by analysis of batches of its component herbs. Then selective ion monitoring (SIM) of single MS was utilised to develop a rapid identification method based on the UHPLC/QTOF‐MS analysis result. Multivariate statistical analysis was subsequently used for the quality assessment of different commercial samples. Results Seventy‐eight characteristic compounds were characterised, and 68 of them were recorded to establish a stably characteristic compound library. Thirty‐one compounds were selected from the library for the establishment of SIM identification method. Good specificity, capability, and feasibility had been respectively verified by the analysis of blank sample, negative control (NC) preparation samples, home‐made LWDHP sample, and commercial sample. Multivariate statistical analysis of 20 batches of commercial LWDHP samples revealed the quality consistency of the same vendor's product and quality difference between diverse vendors' products. Conclusion The SIM identification method by a single analysis could significantly simplify the identification process of LWDHP, and it was performed in a holistic mode for no less than two compounds of each component herb monitored. Moreover, it could also be combined with multivariate statistical analysis to conduct quality assessments of batches of samples. The integrated strategy used in the study of LWDHP could be applied for the identification of other CPM as well.

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A multi-strategy platform for Q-markers screening and quality control of Wuzi Yanzong Wan based on fingerprint and network pharmacology

Dong,

Wu,

Peng

et al. 2024

Arabian Journal of Chemistry

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Implementation of a Single Quadrupole Mass Spectrometer for Fingerprint Analysis: Venenum bufonis as a Case Study

Cited by 8 publications

References 22 publications

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

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

An integrated strategy for holistic quality identification of Chinese patent medicine: Liuwei Dihuang Pills as a case study

A multi-strategy platform for Q-markers screening and quality control of Wuzi Yanzong Wan based on fingerprint and network pharmacology

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