Similarity Evaluation System Research Articles

Establishment of an HPLC Fingerprint and Cluster Analysis for Miao Ethnic Medicine Osbeckia opipara

: Osbeckia opipara, a traditional Miao medicine, is commonly used by the renowned national-level Chinese Traditional Medicine practitioner Zhengshi Wu for the treatment of diarrhea due to its strong antioxidative, anti-inflammatory, and antidiarrheal effects. This study aimed to establish a high-performance liquid chromatography (HPLC) fingerprint for O. opipara to provide new evidence and technical means for the scientific evaluation and effective quality control of O. opipara. The procedure involved isolation with a Nano ChromCore C18 column (250 mm × 4.6 mm, 5 μm), using a gradient elution of 0.1% formic acid in water and 0.1% formic acid in acetonitrile as the mobile phase, with a flow rate of 1.0 mL/min, a column temperature of 30°C, an injection volume of 10 μL, and detection at a wavelength of 254 nm. Under these chromatographic conditions, fingerprint analysis was conducted on 11 batches of O. opipara collected from different origins. The National Pharmacopoeia Committee developed the 'Chromatographic Fingerprint Similarity Evaluation System' (2004A version) for automated comparison, similarity computation, and analysis of chromatographic data. The results revealed 13 common peaks across the 11 batches of O. opipara samples, with a similarity to the automatically generated reference spectrum exceeding 0.9. SPSS 26.0 software was used to conduct cluster analysis on the peak areas of the 13 common peaks. The observations indicated that the reference spectrum generated from the 11 batches could serve as the standard fingerprint profile for O. opipara, providing sufficient characteristic information extraction.

Application of ion chromatographic fingerprint analysis for quality evaluation of tobacco flavors

Tobacco flavor, an important tobacco additive, is an essential raw material in cigarette production that can effectively improve the quality of tobacco products, add aroma and taste, and increase the suction flavor. The quality consistency of tobacco flavors affects the quality stability of branded cigarettes. Therefore, the quality control of tobacco flavors is a major concern for cigarette and flavor manufacturers. Physical and chemical indices, odor similarity, and sensory efficacy are employed to evaluate the quality of tobacco flavors, and the analysis of chemical components in tobacco flavors is usually conducted using gas chromatography (GC) and high performance liquid chromatography (HPLC). However, because the composition of tobacco flavors is complex, their quality cannot be fully reflected using a single component or combination of components. Therefore, establishing an objective analytical method for the quality control of tobacco flavors is of extreme importance. Chromatographic fingerprint analysis is routinely used for the discriminative analysis of tobacco flavors. Chromatographic fingerprints refer to the general characteristics of the concentration profiles of different chemical compounds. In the daily procurement process, fingerprints established by GC and HPLC are effective for the evaluation and identification of tobacco flavors. However, given continuous improvements in aroma-imitation technology, some flavors with high similarity cannot be directly distinguished using existing methods. In this study, a method for the determination of organic acids and inorganic anions in tobacco flavors based on ion chromatography (IC) was developed to ensure the quality consistency of tobacco flavors. A 1.0 g sample of tobacco flavors and 10 mL of deionized water were mixed and vibrated for 30 min. The aqueous sample solution was passed through a 0.45 μm membrane filter and RP pretreatment column in succession to eliminate interferences and then subjected to IC. Standard solutions containing nine organic acids and seven inorganic anions were used to identify the anions in the tobacco flavors, and satisfactory reproducibility was obtained. The relative standard deviations (RSDs) for retention times and peak areas were <0.71% and <6.02%, respectively. The chromatographic fingerprints of four types of tobacco flavors (samples A-D) from five different batches were obtained. Nine tobacco flavor samples from different manufacturers (samples AY1-AY3, BY1-BY2, CY1-CY2, DY1-DY2) were also analyzed to obtain their chromatographic fingerprints. Hierarchical cluster and similarity analyses were used to evaluate the quality of tobacco flavors from different manufacturers. Hierarchical clustering refers to the process of subdividing a group of samples into clusters that exhibit a high degree of intracluster similarity and intercluster dissimilarity. The dendrograms obtained using SPSS 12.0 indicated good quality consistency among the samples in different batches. Samples AY3, BY2, CY2, and DY1 clustered with the batches of standard tobacco flavors. Therefore, hierarchical cluster analysis can effectively distinguish the quality of products from different manufacturers. The Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine (version 2.0) was used to evaluate the similarity between the standard tobacco flavors and products from different manufacturers. Among the samples analyzed, samples AY3, BY2, CY2, and DY1 showed the highest similarity values (>97.7%), which was consistent with the results of the hierarchical cluster analysis. This finding indicates that IC combined with chromatographic fingerprint analysis could accurately determine the quality of tobacco flavors. GC combined with ultrasonic-assisted liquid-liquid extraction was also used to analyze the tobacco flavors and verify the accuracy of the proposed method. Compared with GC coupled with ultrasonic-assisted liquid-liquid extraction, IC demonstrated more significant quality differences among certain tobacco flavors.

Optimization of supercritical CO2 fluid extraction process, component analysis, and antioxidant spectral activity correlation of Huoluo Xiaoling Dan

ABSTRACT This study elucidated the optimization conditions, GC-MS analysis conditions, total antioxidant activity, and components closely related to antioxidant activity for supercritical extraction of active ingredients in Huoluo Xiaoling Dan (HLXLD). The yield, octyl acetate content, and total antioxidant activity of HLXLD under different conditions were obtained through orthogonal experiments, and the optimal supercritical extraction conditions were determined to be 45°C, 25 MPa, and 4 h. The supercritical extract was subjected to GC-MS analysis and matched with the WILEY and NIST databases, resulting in the qualitative identification of 37 chemical components with a matching degree above 60. The similarity evaluation system of traditional Chinese medicine fingerprint was used to evaluate all orthogonal experimental samples, with a similarity ranging from 0.522 to 0.989. Thirteen common characteristic peaks were selected, and the quantification of these peaks was performed using peak area normalization method. The combination of the content of common characteristic peaks in different samples and their total antioxidant activity was analyzed using multivariate statistical methods such as principal component analysis and multiple regression equation. It was found that five components, F3, F2, F5, F7 and F12, among the common characteristic peaks were closely related to antioxidant activity.

HPLC Fingerprint Analysis of Cibotii rhizoma from Different Regions and Identification of Common Peaks by LC-MS.

To establish the fingerprint of Cibotii rhizoma using high-performance liquid chromatography (HPLC) and evaluate the quality of Cibotii rhizoma from different regions using chemometrics to identify the potential quality markers, thirteen batches of Cibotii rhizoma samples were analyzed. the similarity evaluation system of TCM chromatographic fingerprint similarity evaluation was used to confirm common peaks. The SPSS 27 software was used for hierarchical cluster analysis (HCA), and SIMCA 14.1 software was used for principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Moreover, a batch of Cibotii rhizoma was selected for LC-MS analysis and speculated on 15 common components. HPLC fingerprint were established, 15 common peaks were matched, two chromatographic peaks were identified using standard substances (protocatechuic acid and protocatechuic aldehyde), and 13 common components were inferred through liquid chromatograph-mass spectrometer (LC-MS). The 13 batches of the samples showed good similarities (>0.910). The results of HCA, PCA and OPLS-DA showed that 13 batches of samples were divided into three groups, and different markers were selected. The method is simple, rapid and reproducible, and can provide a reference for the overall quality evaluation of Cibotii rhizoma.

Comprehensive evaluation of community human settlement resilience and spatial characteristics based on the supply–demand mismatch between health activities and environment: a case study of downtown Shanghai, China

IntroductionUnder globalization, human settlement has become a major risk factor affecting life. The relationship between humans and the environment is crucial for improving community resilience and coping with globalization. This study focuses on the key contradictions of community development under globalization, exploring community resilience by analyzing the mismatch between residents' health activities and the environment.MethodsUsing data from Shanghai downtown, including land use, Sports app, geospatial and urban statistics, this paper constructs a comprehensive community resilience index (CRI) model based on the DPSIR model. This model enables quantitative analysis of the spatial and temporal distribution of Community Human Settlement Resilience (CR). Additionally, the paper uses geodetector and Origin software to analyze the coupling relationship between drivers and human settlement resilience.Resultsi) The scores of CR showed a "slide-shaped" fluctuation difference situation; ii) The spatial pattern of CR showed a "pole-core agglomeration and radiation" type and a "ring-like agglomeration and radiation" type. iii) Distance to bus stops, average annual temperature, CO2 emissions, building density and number of jogging trajectories are the dominant factors affecting the resilience level of community human settlement.ConclusionThis paper contributes to the compilation of human settlement evaluation systems globally, offering insights into healthy community and city assessments worldwide. The findings can guide the creation of similar evaluation systems and provide valuable references for building healthy communities worldwide.

Characterization of the pyrolysis patterns of 44 synthetic cannabinoids and their application in illicit drug analysis

The toxicological research and analysis of synthetic cannabinoids (SCs) have been the focus of scientists. SCs often cause severe acute intoxication after smoking, which may be related to the pyrolysis products formed during the heating process. However, the toxicology studies in vitro and in vivo are hampered by the lack of data on pyrolysis products. Moreover, SCs are diverse and rapidly updated, and the detection of SCs is always a step behind the changes in the illegal market. Here, 44 SCs were analyzed using pyrolysis-gas chromatography/mass spectrometry at 300, 600, and 800 ℃, respectively. The pyrolysis patterns of different SCs under the oxygen-free condition were proposed, based on the pyrolysis products. The shared and characteristic pyrolysis products of 44 SCs were obtained and employed as analytical markers for SCs identification. SCs in one seized e-liquid sample were accurately identified on the basis of the shared and characteristic pyrolysis products. The pyrogram profiles obtained by pyrolyzing SC standards at 600 ℃ were characteristic and reproducible. Therefore, a pyrogram library containing 44 entries for SCs was built through Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine. The pyrogram fingerprinting was used to identify eight unknown SC powders successfully. The results demonstrate the great potential of the pyrolysis pattern of SCs in drug analysis.

Identification of Q-markers for Schisandrae Sphenantherae Fructus in treating drug-induced liver injury based on network pharmacology, fingerprint and quantitative analysis

This study aims to establish the ultra-performance liquid chromatography(UPLC) fingerprint and multi-indicator quantitative analysis method for Schisandrae Sphenantherae Fructus(SSF) and to screen out the potential quality markers(Q-markers) of hepatoprotection based on network pharmacology. The similarity analysis was performed using the Chinese Medicine Chromatographic Fingerprint Similarity Evaluation System, which showed that the similarity of the fingerprints of 15 samples from different regions ranged from 0.981 to 0.998. Eighteen common components were identified, from which 3 differential components were selected by cluster analysis and principal component analysis. The &quot;component-target-pathway&quot; network was built to predict the core components related to the hepatoprotective effects. Fourteen core components were screened by network pharmacology. They acted on the targets such as AKT1, CCND1, CYP1A1, CYP3A4, MAPK1, MAPK3, NOS2, NQO1, and PTGS2 to regulate the signaling pathways of lipid metabolism and atherosclerosis, hepatitis B, interleukin-17, and tumor necrosis factor. Considering the chemical measurability, characteristics, and validity, schisantherin A, anwulignan, and schisandrin A were identified as the Q-markers. The content of schisantherin A, anwulignan, and schisandrin A in the test samples were 0.20%-0.57%, 0.13%-0.33%, and 0.42%-0.70%, respectively. Combining the fingerprint, network pharmacology, and content determination, this study predicted that schisantherin A, anwulignan, and schisandrin A were the Q-markers for the hepatoprotective effect of SSF. The results can provide reference for improving the quality evaluation standard and exploring the hepatoprotective mechanism of SSF.

HPLC fingerprints of polygonum cuspidatum power and polygonum cuspidatum ointment and simultaneous determination of six constituents

Polygonum Cuspidate (P. cuspidatum) is a traditional topical preparation of Chinese medicine. The aim of this study was to develop HPLC fingerprints for P. cuspidatum Powder and P. cuspidatum Ointment, as well as to determine the total stilbene and total anthraquinone contents in them. A XB-C18 column (250 ​mm ​× ​4.6 ​mm, 5 ​μm) was used with a mobile phase consisting of 0.1% phosphoric acid solution-acetonitrile and a gradient elution. The flow rate was 1.0 ​ml/min and the detection wavelength was 286 ​nm. The column temperature was 30 ​°C and injection volume was 10 ​μl. The similarity evaluation system for chromatographic fingerprint of traditional Chinese medicine (2012 edition) was employed to confirm the common peaks at 13 batches of samples and to assess the similarity. The study revealed that 20 common peaks were identified in both P. cuspidatum powder and P. cuspidatum ointment, with a similarity greater than 0.95. Amongst them, seven components were attributed and confirmed, which were identified as polydatin, resveratrol, emodin-8-glucoside, aloe-emodin, rhein, emodin and physcion. Under the established conditions of the chromatography, quantitative analysis of six components could be well separated, and had a good linearity and linear range, the precision, repeatability and stability were good. The method's efficacy in assessing the quality of P. cuspidatum powder and P. cuspidatum ointment is validated, and it can be employed for quality control purposes.

Prediction and analysis of Q-markers of Elephantopus scaber based on its UPLC fingerprint, content determination of components, and in vitro a nti-tumor activity

This study aimed to provide scientific evidence for predicting quality markers(Q-markers) of Elephantopus scaber by establishing UPLC fingerprint of E. scaber from different geographical origins and determining the content of 13 major components, as well as conducting in vitro anti-cancer activity investigation of the main components. The chromatographic column used was Waters CORTECS UPLC C_(18)(2.1 mm×150 mm, 1.6 μm), and the mobile phase consisted of acetonitrile and 0.1% formic acid solution(gradient elution). The column temperature was set at 30 ℃, and the flow rate was 0.2 mL·min~(-1). The injection volume was 1 μL, and the detection wavelength was 240 nm. The UPLC fingerprint of E. scaber was fitted using the Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine(2012 edition) to determine common peaks, evaluate similarity, identify and determine the content of major components. The CCK-8 assay was used to explore the inhibitory effect of the main components on the proliferation of lung cancer cells. The results showed that in the established UPLC fingerprint of E. scaber, 35 common peaks were identified. Thirteen major components, including neochlorogenic acid(peak 1), chlorogenic acid(peak 2), cryptochlorogenic acid(peak 3), caffeic acid(peak 4), schaftoside(peak 6), galuteolin(peak 9), isochlorogenic acid B(peak 10), isochlorogenic acid A(peak 12), isochlorogenic acid C(peak 18), deoxyelephantopin(peak 28), isodeoxyelephantopin(peak 29), isoscabertopin(peak 31), and scabertopin(peak 32) were identified and quantified, and a quantitative analysis method was established. The results of the in vitro anti-cancer activity study showed that deoxyelephantopin, isodeoxyelephantopin, isoscabertopin, and scabertopin in E. scaber exhibited inhibition rates of lung cancer cell proliferation exceeding 80% at a concentration of 10 μmol·L~(-1), higher than the positive drug paclitaxel. These results indicate that the fingerprint of E. scaber is highly characteristic, and the quantitative analysis method is accurate and stable, providing references for the research on quality standards of E. scaber. Four sesquiterpene lactones in E. scaber show significant anti-cancer activity and can serve as Q-markers for E. scaber.

Study on chemical constituents and fingerprints of Phellodendron amurense Rupr. based on ultra-performance liquid chromatography-quadrupole-time-of-flight-mass spectrometry.

The chemical constituents from Phellodendron amurense Rupr. were characterized systematically by ultra-performance liquid chromatography-quadrupole-time-of-flight-mass spectrometry method for collecting mass spectrometry data, and the fingerprints method was established, providing reference for its quality control. The chromatographic column was ACQUITY UPLC BEH-C18 (100mm×2.1mm, 1.7μm). The mobile phase was acetonitrile-0.1% formic acid aqueous solution and the compounds from P. amurense Rupr. were identified by Qualitative Analysis 10.0 software, reference substance, retention time, mass spectrometry fragmentation pattern and database retrieval. Meanwhile, liquid chromatography-mass spectrometry fingerprint methods of P. amurense Rupr. and Phellodendron chinense Schneid. were established by using the similarity evaluation system of chromatographic fingerprint of traditional Chinese medicine (2012 edition), and the differences were analyzed by multivariate statistical analysis methods. A total of 105 compounds were identified, including 102 alkaloids, two phenolic acids, and one lactone compound. Liquid chromatography-mass spectrometry fingerprint method was established with ideal precision, stability and repeatability, and 12 quality differential markers were recognized between the above two herbs. Liquid chromatography-mass spectrometry method can be used for qualitative analysis of the constituents of Phellodendron amurense Rupr., providing reference for clarifying the material basis and promoting the clinical precision medication and quality evaluation of P. amurense Rupr.

Discovery of quality markers in the rhizome of Atractylodes chinensis using GC–MS fingerprint and network pharmacology

BackgroundThe rhizome of Atractylodes chinensis (RAC), also known as “Cangzhu”, is a well-known Chinese herbal medicine (CHMs). Due to the scarcity of wild resources, cultivated RAC and counterfeit products derived from the rhizome of Atractylodes japonica (RAJ) are also prevalent on the market. Diverse origins lead to varying quality. At present, the Chinese Pharmacopoeia (2020 edition) uses atractylodin as the only quantitative index component for RAC, and there is a lack of research on quality markers (Q-markers) that are closely related to efficacy. PurposeThis work aims to discover the Q-markers of RAC based on chemical and pharmacological strategies. MethodsThe chemical composition of RAC was analyzed and identified through gas chromatography-mass spectrometry (GC–MS). The ″Chromatographic Fingerprint Similarity Evaluation System for Traditional Chinese Medicine″ was utilized to assess the similarity of the samples and identify the characteristic peaks. Network pharmacology was employed to screen targets and pathways for characteristic components of the RAC, construct “active ingredients–targets–pathways” network diagrams, and predict the Q-markers. The Q-markers for RAC were identified through an integrated analysis of the chemical components, network pharmacology, pharmacological activities and clinical applications. In addition, a preliminary evaluation of 28 batches of “Cangzhu” from different origins were conducted by GC–MS and chemical pattern recognition. ResultsA total of 16 specific components of RAC were identified by GC–MS fingerprint. The network pharmacology study found that these 16 components primarily function through 29 core targets and 23 pathways. Three compounds, hinesol, atractylon, and β-eudesmol were identified as the potential Q-markers for RAC. The evaluation of 28 batches of “Cangzhu” showed that these three Q-markers could effectively distinguish RAC from RAJ, and RAJ could not be used as a substitute for RAC. There was no significant difference between cultivated RAC and wild RAC, and the quality of cultivated RAC was more uniform than wild RAC. ConclusionThis study identified and verified three potential Q-markers for RAC by using a comprehensive strategy combing of “GC–MS fingerprinting – network pharmacology – chemical pattern recognition”. It provides a basis for the establishment of a more reasonable RAC quality evaluation system. Furthermore, it provides a reference for the discovery of Q-markers in other CHMs.

Comparative Compositions and Activities of Flavonoids from Nine Sanghuang Strains Based on Solid-State Fermentation and In Vitro Assays

Sanghuang, a traditional Chinese medicinal herb obtained from numerous related fungal species in the genus Sanghuangporus, contains many bioactive substances that display a variety of beneficial pharmacological activities, including antioxidant, antitumor, and antidiabetic. We collected wild fruiting bodies from various Chinese localities, obtained nine pure sanghuang strains (termed S1 to S9), cultured the strains by solid-state fermentation, extracted and purified sanghuang flavonoids (termed SHFs) from mycelia, and analyzed their antioxidant abilities and α-amylase inhibitory (α-AI) activities. SHFs from strains S2, S6, S7, and S9 displayed strong DPPH radical scavenging abilities and iron reducing abilities, while SHFs from S1, S3, S5, and S8 had strong α-AI activities. SHF components were analyzed by HPLC in combination with a Chinese medicine fingerprint similarity evaluation system and statistical analyses. SHFs from the nine strains showed high fingerprint similarity. Fifteen peaks in the chromatograms (termed 1–15) were subjected to cluster analysis, which revealed that differences in SHF composition were related to geographic origin and host species. The strains with strong antioxidant activities had relatively large peak 5 and peak 9 areas, while those with strong α-AI activities had relatively large peak 13 areas. Such variation in SHF activities is attributable to differences in their components. Our findings indicate that careful selection of SHFs based on these activities will strengthen their potential development as antioxidant and antidiabetic agents.

Effective components and mechanism of Qijiao Shengbai Capsules based on fingerprinting and network pharmacology

Qijiao Shengbai Capsules(QJ) can invigorate Qi and replenish the blood, which is commonly used clinically for adjuvant treatment of cancer and leukopenia due to chemoradiotherapy. However, the pharmacological mechanism of QJ is still unclear. This work aims to combine the high-performance liquid chromatography(HPLC) fingerprints and network pharmacology to clarify the effective components and mechanism of QJ. The HPLC fingerprints of 20 batches of QJ were established. The similarity evaluation among 20 batches of QJ was performed by using Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine(version 2012), resulting in a similarity greater than 0.97. Eleven common peaks were identified by reference standard, including ferulic acid, calycosin 7-O-glucoside, ononin, calycosin, epimedin A, epimedin B, epimedin C, icariin, formononetin, baohuoside I, and Z-ligustilide. The &quot;component-target-pathway&quot; network was constructed by network pharmacy, and 10 key components in QJ were identified, such as ferulic acid, calycosin 7-O-glucoside, ononin, and calycosin. The components were involved in the phosphoinositide 3 kinase-protein kinase B(PI3K-Akt), mitogen-activated protein kinase(MAPK), and other signaling pathways by regulating potential targets, including EGFR, RAF1, PIK3R1, and RELA, to auxiliarily treat tumors, cancers, and leukopenia. The molecular docking conducted on the AutoDock Vina platform confirmed the high binding activity of 10 key effective components with core targets, with the binding energy less than-5 kcal·mol~(-1). In this study, the effective components and mechanism of QJ have been preliminary revealed based on HPLC fingerprint and network pharmacology, which provided a basis for quality control of QJ and a refe-rence for further study on its mechanism.

Qualitative and quantitative method for quality control of Itea ilicifolia based on antioxidant Q-markers.

Itea ilicifolia Oliv is a folk medicine with antioxidant potential. In this study, the fingerprints of 14 batches of I. ilicifolia were established by HPLC with 17 common peaks. The similarities evaluated by Similarity Evaluation System for Chromatographic Fingerprint of Chinese Materia (version 2012) were >0.89. Ten compounds were identified with definite structures by comparing the retention time and characteristic UV spectral pattern with those of reference substances. The antioxidant capacities of 14 batches of I. ilicifolia were evaluated based on O2 ·- , DPPH and ABTS·+ radical scavenging assays in combination with ferric reducing antioxidant power assay. Via multivariate statistical analyses of gray relation analysis, bivariate correlation analysis and partial least squares regression analysis, a study on the spectrum-effect relationship was then performed to screen eight peaks as the antioxidant Q-markers of I. ilicifolia. The contents of representative antioxidant Q-markers (isoorientin, orientin, vitexin, isovitexin and iteafuranal A) in samples were accurately determined to be 0.054-0.118%, 0.034-0.080%, 0.018-0.055%, 0.031-0.091% and 0.033-0.140%, respectively. The qualitative and quantitative analytical method based on Q-markers helps to control the antioxidant quality of I. ilicifolia, which will lay the foundation to promote the rational utilization of I. ilicifolia in curing diseases related to oxidative stress.

A simple method for distinguishing Dendrobium devonianum and Dendrobium officinale by ultra performance liquid chromatography-photo diode array detector

Using UPLC and PDA detector, the fingerprints of Dendrobium devonianum and Dendrobium officinale produced in the Longling area of Yunnan Province, China were obtained quickly and efficiently, and 26 common peaks in Dendrobium devonianum and Dendrobium officinale samples were obtained by automatic peak matching through the “Chinese Medicine Chromatographic Fingerprint Similarity Evaluation System”. The relative peak areas of the common peaks were analyzed by PCA using R, and the results showed that Dendrobium devonianum and Dendrobium officinale could be well distinguished by PCA, which was consistent with the analysis results of OPLS-DA. The results fully demonstrate that Dendrobium devonianum and Dendrobium officinale grown in the same area can be effectively distinguished by using the method of common peaks combined with stoichiometry. The VIP value of the 13 common peaks is greater than 1.0, which has a significant contribution to the difference and it was differential marker in Dendrobium devonianum and Dendrobium officinale. At the same time, normal-phase silica gel column chromatography was used to separate and purify the compounds that are related to the common peaks, and a total of 7 compounds were identified, among which eupatolide and isoschaftoside belong to differential markers and characteristic compounds in Dendrobium devonianum and Dendrobium officinale, which have good biological health care activity. The successful identification of Dendrobium devonianum and Dendrobium officinale in Longling area of Yunnan Province and the discovery of related differential markers play an important role in the further research and development of Dendrobium devonianum as a new food raw material and its products.

Establishment of fingerprints and determination of various ingredients of yanlishuang pills by GC-MS

Yanlishuang Pills is a kind of traditional Chinese medicine used to treat pharyngitis widely. In this study, we used gas chromatography tandem mass spectrometry (GC-MS) to establish a method for the fingerprint and quantitative analysis of the four major components of Yanlishuang Pills, which can provide a more reliable method for its quality control. We used the software “Chromatographic Fingerprint Similarity Evaluation System for Traditional Chinese Medicine”, version A, 2004, to obtain fingerprint using the averaging method with a time width of 0.1. The peak with the largest peak area was used as the reference peak to determine the shared peaks and generate the common pattern. Then the main components of the Yanlishuang Pills were identified and their contents were determined in GC-MS SIM mode using internal standard method.The fingerprint established by GC-MS were reproducible, and a total of 18 common peaks were identified in the fingerprint of 13 batches of samples, and the similarity of the fingerprint of each batch of samples was above 0.99. The concentrations of camphor, menthone, borneol and menthol of the four main ingredients of the Yanlishuang Pills were linearly well within the range of 25.13-150.78 μg/mL (r = 0.9995), 28.77-172.62 μg/mL (r = 0.9991), 299.70-1798.20 μg/mL (r = 0.9997), 121.98-731.88 μg/mL (r = 0.9997), and the average recoveries were 102.02% (RSD of 1.3%), 96.10% (RSD of 1.0%), 102.71% (RSD of 1.3%), 102.58% (RSD of 1.1%), respectively, with good precision, reproducibility, and stability within 16 h. The camphor content of the 13 batches of samples was 5.6025-8.3662 mg/g, menthone content was 4.7871-5.8936 mg/g, borneol content was 88.0034-133.0969 mg/g and menthol was 40.2017-61.9466 mg/g. The fingerprints of the Yanlishuang Pills established by GC-MS were characterized by a common pattern, and the simultaneous determination of camphor, menthone, borneol and menthol in the Yanlishuang Pills was rapid, simple and accurate. In conclusion, the determination of the content of multiple ingredients combined with fingerprinting can provide a more comprehensive control of the quality of Yanlishuang Pills.

Application of HPLC Fingerprint Combined with Chemical Pattern Recognition and Multi-Component Determination in Quality Evaluation of Echinacea purpurea (L.) Moench.

Echinacea purpurea (EP) is a common medicinal material for extracting anti-RSV components. However, up to now, there has been no effective and simple method to comprehensively reflect the quality of EP. In our current study, the quality of Echinacea purpurea (L.) Moench samples from six different cultivation locations in China was evaluated by establishing a high-performance liquid chromatography (HPLC) fingerprint, combining chemical pattern recognition and multi-component determination. In this study, the chemical fingerprints of 15 common peaks were obtained using the similarity evaluation system of the chromatographic fingerprints of traditional Chinese medicine (2012A Edition). Among the 15 components, three phenolic acids (caftaric acid, chlorogenic acid and cichoric acid) were identified and determined. The similarity of fingerprints of 16 batches of Echinacea purpurea (L.) Moench samples ranged from 0.905 to 0.998. The similarity between fingerprints of five batches of commercially available Echinacea pupurea (L.) Moench and the standard fingerprint ”R” ranged from 0.980 to 0.997, which proved the successful establishment of the fingerprint. PCA and HCA were performed with the relative peak areas of 15 common peaks (peak 3 as the reference peak) as variables. Anhui and Shaanxi can be successfully distinguished from the other four cultivation areas. In addition, the index components of caftaric acid, chlorogenic acid and cichoric acid were in the range of 1.77–8.60 mg/g, 0.02–0.20 mg/g and 2.27–15.87 mg/g. The results of multi-component index content determination show that the contents of the Shandong cultivation area were higher, followed by Gansu, Henan and Hebei, and the lowest were Anhui and Shaanxi. The results are consistent with PCA and HCA, which proved that the quality of Echinacea purpurea (L.) Moench from different origins was different. HPLC fingerprint combined with chemical pattern recognition and multi-component content determination was a reliable, comprehensive and prospective method for evaluating the quality of Echinacea purpurea (L.) Moench. This method provides a scientific basis for the quality control and evaluation of Echinacea purpurea (L.) Moench.

Quality Evaluation of Market Acacia catechu by Fingerprint-Chemical Pattern Recognition

Acacia catechu (L.f.) Willd, a leguminous plant, is included in the 2020 edition of the Chinese Pharmacopoeia and is mainly used to treat eczema, mouth ulcers, diarrhea, bruising, and traumatic hemorrhage. However, there are imported and domestic Acacia catechu samples available in China, and their quality and price are very different, which seriously affects the safety and stability of their clinical application. Importantly, there is no simple and effective method for identifying or classifying grades of Acacia catechu. In this study, 47 batches of commercial Acacia catechu were used for identifying or classifying grades of Acacia catechu using high performance liquid chromatography (HPLC) combined with chemometric analysis. Firstly, gradient elution was adopted with 0.05% phosphoric acid water (A)-methanol (B) as the mobile phase to establish chromatographic conditions. The HPLC chromatograms of 47 batches of Acacia catechu samples were analyzed by the “Similarity Evaluation System for Chromatographic Fingerprint of TCM” software (version 2012A). The common peaks of Acacia catechu were identified to evaluate the similarity. Based on the determination results of fingerprint chromatographic peak area, the quality of the collected Acacia catechu was evaluated by chemometric methods such as CA, PCA, and OPLS-DA. The results showed that the collected Acacia catechu samples were significantly divided into three categories. The first-class samples were all imported Acacia catechu except S9 sample, which was domestic Acacia catechu; the second-class samples were partly domestic Acacia catechu and partly imported Acacia catechu; and the third-class samples were all domestic Acacia catechu. Moreover, OPLS-DA of 47 batches of samples showed that the contents of catechin and the total contents of catechin and epicatechin could be used as key indicators for assessing the quality of Acacia catechu. The developed HPLC fingerprint and quantitative analysis method of multi-indicator components can be used for classification and quality evaluation of market Acacia catechu, which has a significant reference value for developing Acacia catechu grade quality standards.

Quality evaluation of Ginseng Radix et Rhizoma based on UPLC characteristic chromatogram and quantitative analysis of multi-components by single marker (QAMS)

Based on UPLC characteristic chromatogram and quantitative analysis of multi-components by single marker(QAMS), the content of seven types of ginsenosides in Ginseng Radix et Rhizoma was simultaneously determined, and the quality of Ginseng Radix et Rhizoma was evaluated by the principal component analysis(PCA). The chromatographic separation was performed on the Acquity UPLC BEH C_(18) column(2.1 mm×100 mm, 1.7 μm) with the mobile phase of acetonitrile-water for gradient elution at the flow rate of 0.3 mL·min~(-1), the column temperature of 30 ℃, the detection wavelength of 203 nm, and the injection volume of 2 μL. The UPLC chromatogram was established with 19 batches of Ginseng Radix et Rhizoma samples from three producing areas by Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine(version 2012). Thirteen characteristic peaks were determined and seven components were identified. SPSS 26.0 was used to conduct PCA on the characteristic peak areas. With the peak of ginsenoside Rb_1 as reference peak S, ginsenoside Rb_1 showed good durability of relative correction factor as compared with other ginsenosides. The QAMS method for the determination of seven ginsenosides in Ginseng Radix et Rhizoma was established. There was no significant difference in results between the QAMS method and the external standard method. As revealed by the results of PCA and the determination of the total content of seven ginsenosides, the four batches of Ginseng Radix et Rhizoma numbered S19, S18, S1, and S2 were of superior quality. The characteristic chromatogram and QAMS method for the determination of seven ginsenosides in this study were convenient and accurate, which greatly shortened the analysis time and improved the analysis efficiency. The findings of this study are expected to provide a basis for the overall quality evaluation of Ginseng Radix et Rhizoma.

Difference analysis of different parts of chicory based on HPLC fingerprint and multi-component content determination

ObjectiveTo establish HPLC fingerprints of different parts of chicory stems, leaves, roots, flowers and seeds, and compare the similarities and differences of chemical components in different parts, so as to provide a scientific basis for the comprehensive utilization of chicory. MethodsTo establish the HPLC fingerprint of chicory, the chromatographic column was chosen with Agilent ZORBAX Eclipse XDB-C18, the mobile phase was methanol (A) – 0.2% formic acid (B), the flow rate was 1 mL/min, the column temperature was 30 °C, and the detection wavelength was 254 nm. The Similarity Evaluation System of Chromatographic Fingerprint of Traditional Chinese Medicine (2012 Edition) was used to evaluate the similarity of different parts of decoction pieces, and the determination method of multi-component content was established based on fingerprint identification chromatographic peaks, and the determination results were analyzed. ResultsThe HPLC fingerprinting method of chicory was established. Sixteen chromatographic peaks were identified and 10 of them were identified as: caftaric acid (1), esculin (2), chlorogenic acid (3), esculetin (4), caffeic acid (5), cichoric acid (8), hyperoside (11), rutin (12), isochlorogenic acid C (14) and luteolin (16). The similarity of different parts was 0.084–0.701. At the same time, the total content of detected chemical components was ranked as flower > leaf > stem > root > seed. Roots did not contain caftaric acid, rutin, and luteolin, flowers did not contain luteolin, and seeds did not contain caftaric acid, cichoric acid, and luteolin. The content of cichoric acid in leaves was the most, and esculin in flowers was the most. ConclusionThe results of HPLC fingerprint and multi-component content determination revealed the similarity and difference of different parts of chicory from chemical composition, indicating that there were certain differences in different parts of chicory. The established HPLC fingerprinting method can provide a reference for quality control and evaluation of different parts of the chicory.