Study on untargeted metabolomics of Codonopsis pilosula from different producing areas based on ultra-performance liquid chromatography tandem high resolution mass spectrometry / 药学学报

Lu Dangshen, a traditional authentic medicinal material of Codonopsis Radix is mainly produced in Shangdang (Changzhi) area of Shanxi Province. Baitiao Dangshen is mainly produced in Gansu Province. Codonopsis Radix contains many kinds of components such as phenylpropanoids, polyalkynes, alkaloids, terpenes, fatty acids, flavonoids, and so on. At present, the effect of producing areas on its chemical compositions has not been systematically studied. This study analyzed the differences of metabolites among Codonopsis pilosula from different producing areas by UPLC-HRMS. PCA, OPLS-DA coupled with Thermo mzcloud online and local databases were used to compare the overall differences of metabolites among Codonopsis pilosula from different producing areas, and the chemical constituents were identified to further screen and find out the different metabolites and analyze the metabolic pathways by information retrieval in HMDB, PubChem, Chemspider and KEGG databases. The results showed that 72 differential metabolites were identified in this study. There were 15 kinds of up-regulated and 57 kinds of down-regulated metabolites of Lu Dangshen compared with Baitiao Dangshen. The top 30 metabolic pathways were analyzed by KEGG enrichment, and the most important metabolic pathways were phenylpropanoid biosynthesis, which was demonstrated that phenylpropanoid biosynthesis pathway and related intermediate metabolites could be used as the characteristics of distinguishing Lu Dangshen from different habitats of Codonopsis pilosula. The present study provided a basis for analyzing the influence of producing areas on the chemical components of Codonopsis pilosula and reasonably evaluating the quality of Codonopsis Radix, and also provided a new idea for expounding the authenticity of Lu Dangshen.

Characterization and identification of chemical components in traditional Chinese medicine Psoraleae Fructus based on UHPLC-Q-TOF-MS / 中国中药杂志

This study was designed to comprehensively characterize and identify the chemical components in traditional Chinese medicine Psoraleae Fructus by establishing an ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry(UHPLC-Q-TOF-MS) method in combination with in-house library. The chromatographic separation conditions(stationary phase, column temperature, mobile phase, and elution gradient) and key MS monitoring parameters(capillary voltage, nozzle voltage, and fragmentor) were sequentially optimized via single-factor experiments. A BEH C_(18) column(2.1 mm×100 mm, 1.7 μm) was finally adopted, with the mobile phase consisting of 0.1% formic acid in water(A) and acetonitrile(B) at the flow rate of 0.4 mL·min~(-1) and column temperature of 30 ℃. Auto MS/MS was utilized for data acquisition in both positive and negative ion modes. By comparison with reference compounds, analysis of the MS~2 fragments, in-house library retrieval and literature research, 83 compounds were identified or tentatively characterized from Psoraleae Fructus, including 58 flavonoids, 11 coumarins, 4 terpenoid phenols, and 10 others. Sixteen of them were identified by comparison with reference compounds, and ten compounds may have not been reported from Psoraleae Fructus. This study achieved a rapid qualitative analysis on the chemical components in Psoraleae Fructus, which provided useful reference for elucidating its material basis and promoting the quality control.

Research progress on adverse health effects of fine particulate matter constituents in China / 环境与职业医学

Air pollution has always been an important factor threatening population health, and with the acceleration of urbanization in China, the adverse health effects associated with air pollution is becoming more and more serious. Numerous scientific studies have shown that chemical components of fine particulate matter are closely related to human health damage. This paper elaborated reported human health outcomes of PM2.5 chemical components, including fatality, morbidity, reproduction & development, and physiological indexes or biomarkers, reviewed the research progress of PM2.5 chemical constituents on human health in China, and summarized the deficiencies of current research, aiming to provide useful clues for future relevant studies.

Characterization of multiple chemical components of GuiLingJi by UHPLC-MS and 1H NMR analysis / 药物分析学报

GuiLingJi(GLJ),a classic traditional Chinese medicine(TCM)formula,is composed of over 20 herbs,according to the Pharmacopeia of the People's Republic of China.Owing to its various activities,GLJ has been used in clinical settings for more than 400 years in China.However,the ambiguous chemical material basis limits the development of studies on the quality control and pharmacological mechanisms of GLJ.Therefore,comprehensive characterization of the multiple chemical components of GLJ is of great significance for the modernization of this formula.Given the great variety of herbs in GLJ,both UHPLC-MS and 1H NMR techniques were employed in this study.In addition,solvent extraction with different polarities was used to eliminate signal interference and the concentration of trace components.A variety of MS analytic methods were also used,including implementation of a self-built compound database,diagnostic ion filtering,mass defect filtering,and Compound Discoverer 3.0 analysis software.Based on the above strategies,a total of 150 compounds were identified,including 5 amino acids,13 phenolic acids and glycosides,11 coumarins,72 flavones,20 triterpenoid and triterpenoid saponins,23 fatty acids,and 6 other compounds.Moreover,13 compounds were identified by 1H NMR spectroscopy.The UHPLC-MS and 1H NMR results supported and complemented each other.This strategy provides a rapid approach to analyzing and identifying the chemical composition of Chinese herbal prescriptions.The current study provides basis for further research on the quality control and pharmacological mechanism of GLJ.

A new polycyclic polyprenylated acylphloroglucinols from Hypericum lagarocladum N. Robson / 药学学报

Silica gel column chromatography, reversed phase C18 column chromatography, Sephadex LH-20 gel column chromatography, high performance liquid chromatography and medium performance semi preparative liquid chromatography were performed to separate and purify the chemical constituents of Hypericum lagarocladum N. Robson. Spectroscopic methods such as MS and NMR combined with physicochemical properties were applied in identifying the structures of the isolated compounds. A total of 11 compounds were isolated and identified as hyperlagarone A (1), hyperpatulone E (2), hyperbeanol G (3), uralione D (4), tomoeone F (5), pyramidatone A (6), tomoeone A (7), tomoeone B (8), hyperbeanol C (9), hyperbeanol A (10), and hypercohone G (11), respectively. Compound 1 is a new polycyclic polyprenylated acylphloroglucinol derivative, and compounds 2-11 are isolated from this plant for the first time. 11 compounds were tested for glucose uptake in L6 cells, and the results showed that compounds 7 and 8 had significant effect on glucose uptake.

Identification of chemical constituents in Zhachong Shisanwei Pills by UPLC-Q-TOF-MS/MS / 中国中药杂志

Zhachong Shisanwei Pills, composed of 13 Chinese medicinal materials, are used for treating the diseases such as hemiplegia, pain of muscles and bones, rheumatism, and joint pain. The chemical composition and pharmacodynamics of Zhachong Shisanwei Pills have not been reported. Ultra-performance liquid chromatography/quadrupole-time-of-flight tandem mass spectrometry(UPLC-Q-TOF-MS/MS) was employed to quickly identify the chemical components of Zhachong Shisanwei Pills, which was performed with Shim-pack GIST C_(18) column(4.6 mm×150 mm, 5 μm). The gradient elution was conducted with methanol-0.05% acetic acid as the mobile phase. Electrospray ionization mass spectrometry(ESI-MS) was carried out in both positive and negative ion modes. The compounds were identidied based on accurate relative molecular weight, fragment ion species, and the MS data of reference substances and in literature. In conclusion, a total of 98 compounds were identified, including 19 organic acids, 36 flavonoids, 13 volatile oils, 8 tannins, 5 2-(2-phenylethyl)chromones, 5 amino acids, 3 sesquiterpenoids, 3 alkaloids, and 2 other compounds. This study characte-rized the chemical components of Zhachong Shisanwei Pills rapidly for the first time, laying a foundation for further research on the pharmacodynamic material basis and quality evaluation.

Research progress on culture technologies,chemical components,and pharmacological activities of Saussurea involucrata cells / 中国中药杂志

Saussurea involucrata,a traditional Chinese medicinal material,is effective in the treatment of rheumatoid arthritis with cold-dampness blockage syndrome,cold pain in lower abdomen,and menstrual irregularities. However,due to the specific habitat,low natural reproduction rate,slow growth,and overexploitation,it is at the high risk of extinction. S. involucrata cells can be obtained through callus culture,suspension culture,and hairy root culture. This study highlighted the influences of reactor type,culture system,precursor,elicitor type, and light wavelength on the suspension culture of S. involucrate cells. The chemical components of S. involucrata cells mainly include phenylpropanoids,flavonoids,lignans,and steroids,among which phenylpropanoids are the most abundant. S. involucrata cells have multiple pharmacological activities of anti-inflammation,analgesia,activating blood and resolving stasis,immunoregulation,increasing bone density,lowering blood lipids,anti-hypoxia,anti-exercise fatigue,anti-radiation,anti-obesity,and anti-oxidation. Moreover,it has the potential of treating aplastic anemia. This study reviews the cell culture technologies,chemical components,and pharmacological activities of S. involucrata cells,laying a basis for the further research,development,and utilization.

Effects and evaluation of different processing and drying methods on components in Paeoniae Radix Alba / 中国中药杂志

The present study evaluates different processing and drying methods and investigates their effects on the chemical components in Paeoniae Radix Alba via content determination. The fresh medicinal materials of Paeoniae Radix Alba collected from Bozhou of Anhui province were processed(boiled and peeled) and dried(hot air-dried, infrared-dried, and microwave-dried) at different temperatures(40, 50, 60 and 70 ℃), and the 11 components(monoterpene glycosides, polyphenols, tannin, and benzoic acid) in Paeoniae Radix Alba were determined by ultra-performance liquid chromatography coupled to triple quadrupole with electrospray tandem mass spectrometry(UPLC-TQ-MS). Then the compounds in processed and dried samples were analyzed by partial least squares discriminant analysis(PLS-DA) and orthogonal partial least squares discriminant analysis(OPLS-DA), and the contribution rates of differential components were evaluated by variable important in projection(VIP). The results indicated that the samples obtained by different processing and drying methods could be distinguished. Albiflorin, gallic acid, 1,2,3,4,6-pentakis-O-galloyl-β-D-glucose, and benzoic acid were the common differential components in boiled Paeoniae Radix Alba. Benzoic acid was the common differential component in peeled Paeoniae Radix Alba. Gallic acid was the common differential component in Paeoniae Radix Alba dried by different methods. The samples could not be distinguished after drying at different temperatures due to the lack of common differential components. This study is expected to provide a reference for the selection of processing and drying methods and the optimization of processing parameters.

Identification of chemical components and monosaccharide assay in Nocardia rubra cell wall skeleton / 药学实践杂志

Objective To analyze and identify the chemical components in the Nocardia rubra cell wall skeleton (Nr-CWS), and to determine the contents of monosaccharides accurately. Methods The extract of Nr-CWS was separated and analyzed by UHPLC-Q-TOF/MS method. The chemical components were quickly identified by matching the data with the information in the Metlin database. The monosaccharide contents in the Nr-CWS extract were determined by UHPLC-MS/MS method after derivatization. Results A total of 64 chemical components were identified in the extract of Nr-CWS, including amino acids, monosaccharides and so on. A assay method for 8 monosaccharides by UHPLC-MS/MS was successfully established. The content of arabinose in Nr-CWS was the highest, followed by galactose, which indicated that the main polysaccharide components in Nr-CWS may be composed of these monosaccharides. Conclusion In this study, we analyzed the main chemical components of Nr-CWS, which are amino acids, fatty acids and so on. The content of monosaccharide after polysaccharide hydrolysis was determined by UHPLC-MS/MS. This will lay a foundation for the screening of the active components of Nr-CWS and the study of its pharmacological mechanism.

Research on chemical components and biological activities of the iridoids in Morinda genus / 药学实践杂志

Morinda genus of Rubiaceae has been widely used in medicine at home and abroad. Many parts of Morinda tree are utilized in research, mainly including roots, stems, leaves, branches and seeds. Through the research of online databases, the chemical components and biological activities of the iridoids in Morinda genus were summarized in this paper. Up to now, more than 50 kinds of iridoids have been identified. In addition, more and more studies proved that Morinda iridoids might benefit human via such anti-inflammatory, antinociceptive, anti-oxidation, anti-tumor and bone protection. The theoretical basis was provided for the further development and utilization of the iridoids in Morinda genus.

Effect of Total Alkaloids from Nandina domfestica in Attenuating Arsenic Trioxide and Its LC-MS / 中国实验方剂学杂志

Objective::To study the effect of total alkaloids of Nandina domestica in attenuating arsenic trioxide, and analyze chemical constituents of alkaloids extract of Nandina, in order to provide the theoretical basis for studying the effect of N. domestica in attenuating arsenic trioxide with alkaloids extract of N. domestica as effective fraction. Method::The model of acute liver injury induced by arsenic trioxide was used to compare the effects on heart and liver functions of mice between arsenic trioxide alone and total alkaloids of N. domestica combined with arsenic trioxide. The detoxification of total alkaloids on arsenic trioxide was evaluated based on biochemical parameters and pathological report. Peakview (Version1.2, AB SCIEX) software was used to process the mass spectrometry data of total alkaloids of N. domestica. The structures of determined compounds were identified by molecular weight of compound (molecular formula), secondary fragments, chromatographic peak retention and literature information. Result::Among biochemical indicators, creatine kinase(CK), lactate dehydrogenase(LDH), blood urea nitrogen(BUN), malondialdehyde(MDA), alanine aminotransferase(ALT) and amino transferase of aspartate(AST) of the arsenic trioxide group were increased, while elimination rates of Na+ -K+ -adenosine triphosphate(ATP), superoxide dismutase(SOD), catalase(CAT) and serum creatinine(SCr) were decreased, compared with those of the combination group. CK and LDH of the alkaloids extract group were more obviously increased than those of the N. domestica extract group, but with no remarkable difference. In histomorphometric examination, edema of mouse heart cells was improved, and some kidney and liver damages in rats were alleviated. Totally 25 alkaloids of alkaloid extract were identified. Among them, 18 were known, and 7 were unknown, including 3 structural types, in which apomorphine alkaloids were mostly. Conclusion::Heart, kidney and liver damage degrees of the combination group were significantly alleviated compared with the arsenic trioxide group. The total alkaloids fraction extracted and purified have a significant attenuation in arsenic trioxide toxicity. The detoxification of total alkaloids extract was equal to that of N. domestica extract. Furthermore, apomorphine alkaloids, such as nantenine and domesticine, can be used as index components to establish a quality control method for total alkaloids.

Identification of Chemical Components in Actinidia chinensis Root by UHPLC-Q-TOF-MS/MS / 中国药房

OBJECTIVE：To identi fy chemical components of Actinidia chinensis root rapidly ，and to provide reference for further material basis and quality control study of the crude medicine. METHODS ：UHPLC-Q-TOF-MS/MS technique was used to detect chemical components of A. chinensis root. The separation was performed on Waters XSelect HSS T 3 column with mobile phase consisted of 0.1％ formic acid acetonitrile solution- 0.1％ formic acid water solution （gradient elution ）at the flow rate of 0.3 mL/min. The column temperature was set at 40 ℃，and sample size was 3 μL. Electrospray ion source was adopted，the data was collected under negative ion mode ；the scanning range was m/z 50-1 500；the drying gas temperature was 350 ℃，the atomizing air pressure was 45 psi，the capillary voltage was 3 500 V，and sheath gas temperature was 350 ℃. According to the information of excimer ion and secondary fragment ion ，the chemical components were identified by combining with the relevant literature ，the retention time of the reference substance and the law of mass spectrometry cracking. RESULTS & CONCLUSIONS ：Totally 58 chemical components was identified ，which included 16 pentacyclic triterpenes （such as hydroxyasiatic acid ，asiatic acid ，maslinic acid，corosolic acid ，oleanic acid ，ursolic acid ，etc.），12 flavonoids（such as rutin ，quercitrin，cynaroside，astragalin，etc.），17 organic acids （such as cryptochlorogenic acid ，chlorogenic acid ，isochlorogenic acid A ，isochlorogenicacid C ，etc.）. There were 9 components（such as procydanidin B 1，B2 and luteolin ，etc.）identified for the first time in A. chinensis root. UHPLC-Q-TOF-MS/ MS technique can be used for the rapid identification of chemical components in A. chinensis root.

Analysis of Chemical Components of Anti-allergic Asthma Active Fractions in Alkaloids-free Part of Ephedrae Herba / 中国药房

OBJECTIVE：To provide reference for elucidating the anti-allergic asthma constituents in alkaloids-free part of Ephedrae Herba. METHODS ：Ephedrae Herba was extracted with 85％ ethanol and n-heptane，and then subjected to solid-phase extraction（filler AC 18）for pretreatment to enrich alkaloids-free part from the extract of Ephedrae Herba. HPLC method was adopted，and alkaloids-free fractions of Ephedrae Herba were performed on Unitary C 18 column and Eclipse XDB-C 18 column. Using high expression G protein coupled-receptor 35（GPR35 receptor）in HT- 29 cell as target ，GPR35 receptor agonist zaprinast （1 μmol/L）as positive control ，DMR response value as the detection index ，the agonistic and desensitizing activity of each fraction（100 μg/mL）on GPR 35 receptor was screened by label-free integrated pharmacological method ，so as to screen active anti-allergic asthma fraction. HPLC-Q-TOF-MS method was used to identify the chemical composition of the selected active fractions. RESULTS ：The alkaloids-free part of Ephedrae Herba was divided into two parts ，involving the precipitated part before solid phase extraction and the 95％ methanol elution part ；from them ，20 fractions were screened. Among them ，the precipitated fraction F 1.5-F1.10 and 95％ methanol eluted fraction F 2.5-F2.10 had a strong agonistic activity on GPR 35 receptor；at the same time，GPR35 receptor agonist zaprinast showed a relatively strong desensitization activity. The signal intensity of DMR induced by F1.5-F1.10 in the precipitated part of HT- 29 cells was even higher than that of reference drug zaprinast. By HPLC-Q-TOF-MS analysis，24 chemical components were identified from active fractions ，involving 14 flavonoids，2 volatile oils ，7 organic carboxylic acids ，1 anthraquinones. CONCLUSIONS ：The alkaloid-free part of Ephedrae Herba is mainly flavonoids and has anti-allergic asthma activity.

Chemical Compositions and Pharmacological Activities of Polygoni Multiflori Radix / 中国实验方剂学杂志

As a common tonic traditional Chinese medical herb,Polygoni Multiflori Radix has been extensively applied in clinic. In recent years,there have been many literatures related to Polygoni Multiflori Radix. By reviewing the literatures in domestic and foreign,the latest progress on chemical components and pharmacology of Polygoni Multiflori Radix have been summarized and analyzed. At present,more than 133 kinds of compounds have been isolated from Polygoni Multiflori Radix, such as stilbene glycosides,terpenoids,flavonoids,phospholipids and phenylpropanoids. Among them, stilbene dimer and dianthrone glycosides are two kind of new compounds recently isolated from it. The current researches about the pharmacological effect of Polygoni Multiflori Radix focus on anti-oxidative,anti-tumor,anti-atherosclerosis and neuro-protective effects,with potentials in treating neurodegenerative diseases, preventing and treating arterial and reducing blood sugar. Its medicinal ingredients mainly include stilbene glycosides,terpenoids and flavonoids,in which 2,3,5,4'-tetrahydroxysilbene 2-O-glucopyranoside shows a variety of biological activities. However,there are a few studies on the pharmacological activities of other compounds. Therefore,to ensure the further development and utilization of Polygoni Multiflori Radix,it is suggested to conduct a more in-depth and comprehensive research on the material basis of its efficacy.

Analysis of Chemical Constituents in Oroxyli Semen by UPLC-Q-TOF-MS / 中国实验方剂学杂志

Objective:Flavonoids,as the major constituents in Oroxyli Semen,had a variety of pharmacological effects against inflammation,infections,and oxidation. In this study,an ultra-high performance liquid chromatography (UPLC-Q-TOF-MS) method was established to analyze and identify the various flavonoids in Oroxyli Semen. Method:The separation was performed on an Kinetex-XB C18 column(2.1 mm×50 mm,1.7 μm)with gradient elution,which was carried out with 0.1%formic acid acetonitrile as mobile phase. The flow rate was 0.25 mL·min-1,and the injection volume was 3 μL. Electrospray ionization source was in the negative ion mode. Target and non-target screenings were carried out by Peakview 2.2 and Masterview 1.0 software. Then the identification of target compounds were completed based on accurate mass,isotopic abundance ratio and MS/MS fragment,and the non-target compounds were determined according to literature reports and MS cleavage mechanism. Result:According to the high resolution MS spectra data,fragmentation ion information and retention time,36 peaks of Oroxyli Semen were identified, including 10 flavonoids and 26 flavonoid glycosides according to literature reports and MS cleavage mechanism. Conclusion:The study comprehensively analyzes the chemical composition of Oroxyli Semen,which is significant to study of the chemical constituents, quality control and material basis of Oroxyli Semen.

Analysis of Chemical Constituents of Supercritical CO 2 Extract from Xinjiang Daucus carota Seed and Its Antibacterial and Antioxidant Activities Study / 中国药房

OBJECTIVE： To study the chemical constituents of supercritical CO2 extract from Xinjiang Daucus carota seed（called “D. carota seed extract” for short）， and to preliminarily evaluate its antimicrobial and antioxident activity， so as to provide reference for the development and quality control of related products of the plant. METHODS： The non-polar volatile part of Xinjiang D. carota seed was extracted by supercritical CO2 extraction method. The chemical constituents of the extract were identified and quantified by GC-MS and standard spectral labrary. The relative percentage content of each component was calculated by peak area normalization method. The antibacterial activity of D. carota seed extract against Staphylococcus aureus，Escherichia coli and Candida albicans were investigated by trace broth dilution method and AGAR medium plate method. Its antioxidant activity was investigated by TLC-bioautography method. RESULTS： Twenty chemical constituents were identified from D. carota seed extract （the total relative percentage content was 98.76％）， mainly including β-bisabolene， α-asarone， α-pinene， β-caryophyllene， aspidinol， etc. D. carota seed extract has certain antimicrobial activity on S. aureus， E. coli and C. albicans. The minimum inhibitory concentrations were 0.039， 0.833， 0.625 mg/mL， and minimum bactericidal concentrations were 0.078， 1.667， 1.250 mg/mL， respectively. The extract has a certain scavenging ability to DPPH radical. CONCLUSIONS： D. carota seed extract obtained by supercritical CO2 extraction contains monoterpenes and sesquiterpenes， and possesses certain antibacterial and antioxidant activity.

Research progress in chemical components of Qifuyin / 国际药学研究杂志

The prescription Qifuyin is composed of traditional Chinese herbal medicines,Ginseng Radix et Rhi- zoma,Rehmanniae Radix Praeparata,Angelicae Sinensis Radix,Atractylodes Macrocephalae Rhizoma Tostum,Glycyrrhizae Radix et Rhizoma Praeparata Cum Melle,Ziziphi Spinosae Semen and Polygalae Radix Praeparata,and Qifuyin is used to treat dementia in clinic. In order to clarify the chemical components contained and lay the foundation for further exploring pharmacodynamic substances in Qifuyin,this paper summarizes and analyzes research results on the chemical components of 7 individual herbs and the whole Qifuyin prescription in the past 10 years,and discusses the relationship of components between the 7 individual herbs and the whole prescription. The results showed that there were 1227 components in 7 herbs,including 594 volatile oils,232 triterpenes,136 organic acids,96 flavonoids,56 glycosides,23 alka- loids,21 amino acids,18 coumarins,16 saccharides,14 steroids,13 oligosaccharide esters and 5 other compounds. There were 154 components in Qifuyin,including 67 triterpenes,23 oligosaccharide esters,11 volatile oils,10 glyco- sides,9 alkaloids,9 organic acids and 3 other compounds. There are obvious differences in the types and quantities of chemical components in Qifuyin and related single herb.

Profiling and identification of chemical components of Shenshao Tablet and its absorbed components in rats by comprehensive HPLC/DAD/ESI-MS analysis / 中国天然药物

Shenshao Tablet (SST), prepared from Paeoniae Radix Alba (PRA) and total ginsenoside of Ginseng Stems and Leaves (GSL), is a traditional Chinese medicine (TCM) preparation prescribed to treat coronary heart disease. However, its chemical composition and the components that can migrate into blood potentially exerting the therapeutic effects have rarely been elucidated. We developed an HPLC/DAD/ESI-MS approach aiming to comprehensively profile and identify both the chemical components of SST and its absorbed ingredients (and metabolites) in rat plasma and urine. Chromatographic separation was performed on an Agilent Eclipse XDB C column using acetonitrile/0.1% formic acid as the mobile phase. MS detection was conducted in both negative and positive ESI modes to yield more structure information. Comparison with reference compounds (t, MS), interpretation of the fragmentation pathways, and searching of in-house database, were utilized for more reliable structure elucidation. A total of 82 components, including 21 monoterpene glycosides, four galloyl glucoses, two phenols from PRA, and 55 ginsenosides from GSL, were identified or tentatively characterized from the 70% ethanolic extract of SST. Amongst them, seven and 24 prototype compounds could be detectable in the plasma and urine samples, respectively, after oral administration of an SST extract (4 g·kg) in rats. No metabolites were observed in the rat samples. The findings of this work first unveiled the chemical complexity of SST and its absorbed components, which would be beneficial to understanding the therapeutic basis and quality control of SST.

Profiling and identification of chemical components of Shenshao Tablet and its absorbed components in rats by comprehensive HPLC/DAD/ESI-MS analysis / 中国天然药物

Shenshao Tablet (SST), prepared from Paeoniae Radix Alba (PRA) and total ginsenoside of Ginseng Stems and Leaves (GSL), is a traditional Chinese medicine (TCM) preparation prescribed to treat coronary heart disease. However, its chemical composition and the components that can migrate into blood potentially exerting the therapeutic effects have rarely been elucidated. We developed an HPLC/DAD/ESI-MS approach aiming to comprehensively profile and identify both the chemical components of SST and its absorbed ingredients (and metabolites) in rat plasma and urine. Chromatographic separation was performed on an Agilent Eclipse XDB C column using acetonitrile/0.1% formic acid as the mobile phase. MS detection was conducted in both negative and positive ESI modes to yield more structure information. Comparison with reference compounds (t, MS), interpretation of the fragmentation pathways, and searching of in-house database, were utilized for more reliable structure elucidation. A total of 82 components, including 21 monoterpene glycosides, four galloyl glucoses, two phenols from PRA, and 55 ginsenosides from GSL, were identified or tentatively characterized from the 70% ethanolic extract of SST. Amongst them, seven and 24 prototype compounds could be detectable in the plasma and urine samples, respectively, after oral administration of an SST extract (4 g·kg) in rats. No metabolites were observed in the rat samples. The findings of this work first unveiled the chemical complexity of SST and its absorbed components, which would be beneficial to understanding the therapeutic basis and quality control of SST.

Systematic Evaluation and Analysis on Dao-di Herbs Angelica Sinensis / 世界科学技术-中医药现代化

Geo-authentic habitats of Angelica Sinensis can be deduced from antiquity herbal literature's point of view. To provide basis for quality evaluation of Angelica Sinensis, this article summarized modern achievements in scientific research. To conclude genuine habitats of Angelica Sinensis, the related description of Geo-authentic habitats in ancient materia were reviewed and tested. Professional search strategy on traits and chemical characteristics of Angelica Sinensis were made to retrieve relevant literature in the CNKI database, and then the date on pharmacognostic characteristics and chemical component of crude drug from different origins were refined, and at last the date were comprehensively evaluated by Analysis of Variance, principal component and cluster analysis. and Conclusion Fourteen ancient books and one book of recent time were looked up on Herbalogical study. On this basis, twenty-six ancient origins were refined.Eight corresponding modern origins were finded through locating the place these medicines of dynasties in modern map.Combined with Frequency statistical results of modern origins and the related description of Geo-authentic habitats in ancient materia, genuine habitats of Angelica Sinensis were concluded. They are Gansu and Sichuan provinces. 75 literatures on traits and 1949 literatures on chemical characteristics of Angelica Sinensis were retrieved. The pharmacognostic characteristics of Angelica Sinensis were sumerized according to the traits. date. The results of ANOVA indicate that there exists significant difference in the quality of the samples in Gansu and Yunnan provinces among 6 different origins of Angelica Sinensis. Three principal components whose accumulated variance contribution rate was over90.641％ were obtained. Based on these principal components, samples of Angelica Sinensis from the different planting areas were clustered into three groups by within-groups linkage cluster methods. The results show that Gansu province was the best among 10 habitats. Sichuan, Yunnan Hubei, and Hubei Province were better than others habitats. The result is quite consistent with the genuine habitats of Angelica Sinensis, which is obtained from the textual research on ancient materia. The results obtained in this study can be used as references for evaluating the quality of Dao-di herbs Angelica Sinensis scientifically.