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ObjectiveBased on ultra performance liquid chromatography-mass spectrometry（UPLC-MS） and non-targeted metabolomics technology to discuss the central regulatory effect of Chaishao Liujuntang on chronic atrophic gastritis（CAG） rats with liver-depression and spleen-deficiency， and to look for the correlation between cerebral cortex， hypothalamus and metabolic status of gastric tissues. MethodA CAG rat model with liver-depression and spleen-deficiency was established by chemical induction， hunger and satiety disorders， chronic restraint and tail clamping stimulation， lasting for 16 weeks. Twenty-eight Wistar rats were randomly divided into a blank group of 8 rats and a model group of 20 rats. After the completion of modeling， 4 rats in the model group were taken to observe the pathological changes of gastric mucosa. The remaining model rats were randomly divided into a model group of 8 rats and a Chaishao Liujuntang group of 8 rats. Chaishao Liujuntang group rats were given 5.1 g·kg-1 by gavage， and the remaining rats were given equal volume sterilized water by gavage for 4 weeks. Macroscopic characteristics， behavioral indicators and histopathological changes of the gastric mucosa of rats in each group were observed and compared. UPLC-MS non-targeted metabolomics was used to explore the metabolic regulation effect of Chaishao Liujuntang on the cerebral cortex， hypothalamus and stomach tissues of CAG rats with liver-depression and spleen-deficiency. Pearson correlation coefficient method was used to analyze the correlation between different tissue metabolites. ResultCompared with the model group， the macroscopic characteristics of rats in Chaishao Liujuntang group were improved， such as hair color， mental state and stool properties， and the number of times of crossing and standing in the open field experiment was significantly increased， and the static time of forced swimming was significantly reduced（P<0.01）， and the gastric mucosa atrophy was reduced. The metabolic data from the cerebral cortex of rats in each group identified a total of 3 common potential biomarkers， but not enriched in pathways， 26 common potential biomarkers were identified in the hypothalamus， and the key metabolic pathways involved were mainly enriched in purine metabolism， glycerol phospholipid metabolism， D-glutamine and D-glutamic acid metabolism. Seventeen common potential biomarkers were identified in the stomach， and the key metabolic pathways involved were mainly enriched in thiamine metabolism， valine， leucine and isoleucine biosynthesis， and taurine and taurine metabolism. Correlation analysis of metabolites in different tissues revealed that multiple amino acids and their derivatives mediated metabolic connections between the cerebral cortex， hypothalamus and stomach of rats. ConclusionThe metabolic disorders in the cerebral cortex， hypothalamus and stomach of CAG rats with liver-depression and spleen-deficiency have their own characteristics， mainly manifested by changes in the content of glycerol phospholipids， fatty acids and bile acid metabolites. Moreover， Chaishao Liujuntang may play a central regulatory role in CAG rats with liver-depression and spleen-deficiency by correcting the metabolic disorders of amino acids.
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@#Objective To determine the cetrimonium bromide(CTAB)residue in polysaccharide vaccines using ultra performance liquid chromatography-mass spectrometry(UPLC/MS-MS),and analyze and evaluate the uncertainty of the determination results.Methods By establishing a mathematical model,the sources and values of uncertainty introduced in the measurement process were analyzed,the uncertainty components of each influencing factor were calculated,and the standard uncertainty and expanded uncertainty were synthesized to form an uncertainty report.Results At 95% confidence interval,the expanded uncertainty was 0. 002 8 mg/kg. The determination result of CTAB residue in polysaccharide vaccine was reported as(1. 000 6 ± 0. 002 8)mg/kg(k = 2,confidence interval p = 95%).Conclusion The main factors affecting the accuracy of determination results are the preparation of standard solution and the introduction of recovery rate,which should be focused on and controlled in the experiment process to make the detection results more reliable.
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OBJECTIVE@#To study the differences between the serum metabolites in patients with adenomatous polyps of the colon and yang-deficiency constitution and those without colon polyps and with balanced constitution, and look for biomarkers that can be used to distinguish between the two groups.@*METHODS@#General patient information was gathered, and Chinese medicine constitution were collected in 940 patients who underwent electronic colonoscopy. A total of 119 patients with adenomatous polyps of the colon and yang-deficiency constitution were included in the experimental group, and 150 patients without colon polyps and with balanced constitution were included in the control group. Metabolomics analysis was performed on the fasting venous blood obtained from each patient in both groups. Principal component analysis and orthogonal partial least squares discriminant analysis were performed on the detection results, potential biomarkers were screened, metabolic pathway changes were determined, and the metabolic processes involved were discussed.@*RESULTS@#A total of 59 differential biomarkers between the experimental group and the control group were identified. The differential metabolites were found mainly in the glycerophospholipid metabolism pathway, and the bile acid 3-oxo-4,6-choladienoic acid was the biomarker that distinguished the experimental group from the control group.@*CONCLUSION@#With the help of metabolomics analysis, the differential metabolites in patients with adenomatous polyps of the colon and yang-deficiency constitution and those in patients without colon polyps and with balanced constitution could be identified. The biomarker 3-oxo-4,6-choladienoic acid may have potential diagnostic value in patients with adenomatous polyp of the colon and yang-deficiency constitution. (Trial Registration No. NCT02986308).
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Humanos , Pólipos Adenomatosos , Biomarcadores , Cromatografía Liquida , Colon , Espectrometría de Masas , Deficiencia YangRESUMEN
AIM: To establish an ultra-performance liquid chromatography-mass spectrometry (UPLC-MS/MS) method to determine the distribution of deuterosuccinylcholine chloride (
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Objective:To explore the difference in antibacterial mechanism between <italic>Coptis chinensis</italic> and<italic> </italic>its<italic> </italic>flower stalk based on secondary metabolites and network pharmacology. Method:Based on the ultraperformance liquid chromatography mass spectrometry（UPLC-MS/MS） detection platform，the secondary metabolites database of <italic>C. chinensis</italic> and its flower stalk（MWDB） was built. The common database of metabolites information and the multivariate statistical analysis were used to study the differences of secondary metabolites between <italic>C. chinensis</italic> and its flower stalk and screen out 18 metabolites of<italic> </italic>the<italic> </italic>flower stalk and 11 metabolites of <italic>C. chinensis</italic> with a high content. BATMAN-TCM database was used to obtain the targets of component action，and their corresponding genes were inquired in the UniProt database. GeneCards was retrieved for antimicrobial genes，and the intersection genes of components and antimicrobials were obtained on Venny platform. Through DAVID gene ontology（GO） enrichment analysis and Kyoto encyclopedia of genes and genomes（KEGG） pathway enrichment analysis，the mechanism of its action was predicted，and the results were visualized through histogram and advanced bubble diagram drawn by GraphPad Prism software and OmicShare database. The protein-protein interaction（PPI） network was constructed by STRING， database and the component-target-pathway network was constructed by Cytoscape 3.7.2 software. The antibacterial differences were compared based on the results of network pharmacology analysis. Result:Through network pharmacology，the antibacterial active components of <italic>C. chinensis</italic> were 5 fewer than that of the flower stalk，55 more antibacterial targets than that of the flower stalk； quercetin and berberine were predicted to be the common components of the antagonistic action of <italic>C. chinensis </italic>and the flower stalk. Key genes involved in antimicrobial action were p38 Mitogen-activated protein kinase 14（MAPK14），catalase（CAT）； malaria and Toll-like receptor signaling pathway were different key pathways involved in antimicrobial activity. Conclusion:<italic>C. chinensis </italic>and the flower stalk mainly exert the antibacterial effect in a multi-target and multi-pathway manner，which can offer new ideas and clues for the study of antibacterial mechanism of<italic> C. chinensis</italic> and the flower stalk，and provide a new development direction for the comprehensive development and rational application of the flower stalk resources.
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<p><b>OBJECTIVES</b>To study the characteristics of serum metabonomics in coronary heart disease (CHD) patients diagnosed as phlegm or blood stasis pattern and explore effects of formula-pattern correspondence treatment.</p><p><b>METHODS</b>A total of 102 stable CHD patients were enrolled and divided into phlegm group (P group, n=52) and blood stasis group (BS group, n=50) according to pattern identifification. Gualou Xiebai Banxia Decoction (, GXBD) and Xuefu Zhuyu Decoction (, XZD) were used as drug interventions. Relevant indicators of metabonomics were observed by ultra performance liquid chromatography mass spectrometry (UPLC-MS) and pattern recognition.</p><p><b>RESULTS</b>Levels of amino acids and phosphatidylethanolamine (PE) in the CHD group were much higher than those in healthy control group, while the levels of unsaturated fatty acids, sphingosine, Lyso, phosphatidylcholine (PC) were signifificantly lower (P<0.01). Most of the differential metabolites between the CHD and the healthy groups were also common metabolites of phlegm and blood stasis. 7(Z), 10(Z)-hexadecadienoic acid and DPA were decreased in the P group and increased in the BS group. According to the quantity of retraced metabolites, improvement in metabonomics by formula-pattern correspondence was superior to that without correspondence in the BS group. Based on the varieties of metabolites, GXBD could improve the levels of docosapentaenoic acid (DPA), sphingomyelin (SM) (d34:1), and L-Lactic acid and XZD could ameliorate the levels of sphingosine and Vit E in the P group. In the BS group, GXBD could improve vitamin E level and XZD could make improvements in the levels of octadecanoic acid, phosphoglycerol, and SM (d34:1).</p><p><b>CONCLUSIONS</b>Phlegm and blood stasis in CHD patients present specifific differential metabolites, and share common metabolites. Remarkable differences have been displayed in pathological properties and severity of phlegm and blood stasis. Patients with phlegm are more likely to have lipid metabolism disorders. However, in patients with blood stasis, problems mainly lie in glucose, protein and fat metabolism and the injury of vascular cell membrane is relatively severe. The metabolic disorder is more complicated in blood stasis pattern than that in phlegm pattern. Compared with non-correspondence, improvement of differential metabolites is more comprehensive and targeted in formulapattern correspondence with a better effect.</p>
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The biomarkers currently known for the early diagnosis of liver diseases often have poor sensitivities and specificities,and thus it is very important to find new biomarkers with high sensitivities and specificities for the early diagnosis of liver diseases.The emerging metabolomics technology has been widely used and may help to achieve this goal.This article reviewsthe research advances in the role of metabolomics based on ultra-performance liquid chromatography-mass spectrometry in the identification of biomarkers for liver diseases and emphasizes its significance in the early diagnosis,treatment,and prognosis evaluation of liver diseases.
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A reliable UPLC-MS method was developed for the simultaneous determination of 4 chemicals (Sudan Ⅰ, tetrabromobisphenol A, tris ( 1, 3-dichloroisopropyl ) phosphate and tris ( chlorisopropyl ) Phosphate) in children products. The samples were ultrasonic extracted with acetonitrile, and then the four chemicals were separated on a C18 column in 3 min. Results showed that the limit of quantification of the method was between 5 and 500μg/kg. The calibration curves were linear within 2-3 orders of magnitude with typical correlation coefficient above 0 . 9995 . The recoveries ranged from 83 . 7% to 97 . 8% with three addition levels. The sensitivity, recovery and selectivity of the method could fully meet the requirements of practical work.
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A reversed phase ultra performance liquid chromatography-mass spectrometric method was developed for the separation and analysis of triglycerides in edible oils. The samples were separated by using three ultra performance C18 columns in series with a total length of 40 cm (10 cm + 15 cm + 15 cm) at high pressure with acetonitrile-isopropanol (50:50, V/V) as mobile phase at a flow rate of 0. 2 mL/min and at col-umn temperature of 25℃, and detected by APCI ionization-mass spectrometry. The edible oil sample was dis-solved in isopropanol and injected in LC-MS directly. The triglycerides in edible oils were distinguished to their better fine components which included corn oil, peanut oil, sunflower seed oil, rice oil, olive oil, sesa-me oil and soybean oil. The chromatograms of different edible oils showed that the same kind of edible oil was composed of similar triglyceride composition and content, while the different kind of edible oils differed. The experimental result showed that the method could be use for identifying 5% lard adulterated in soybean oil. The method suggests a significant research way for identifying adulteration in edible oil.