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Reliable screening of pesticide residues in maternal and umbilical cord sera by gas chromatography-quadrupole time of flight mass spectrometry 被引量:3
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作者 FAN RuoJing ZHANG Fang +5 位作者 WANG HaoYang ZHANG Li ZHANG Jing ZHANG Ying YU ChongTian GUO YinLong 《Science China Chemistry》 SCIE EI CAS 2014年第5期669-677,共9页
The widespread use of pesticides induces heavy adverse effects on human health,especially for the pregnant women and the newborns.In this study,a screening method has been developed for the determination of multi-pest... The widespread use of pesticides induces heavy adverse effects on human health,especially for the pregnant women and the newborns.In this study,a screening method has been developed for the determination of multi-pesticides in maternal and umbilical cord sera.All pesticides in sera were collected using solid phase extraction(SPE),and analyzed by gas chromatography-quadrupole time of flight mass spectrometry(GC-QTOF MS).To set up the quality criteria,a database of 50 pesticides was created and the accurate masses of 3 up to 5 representative ions with their intensity ratios were included for each pesticide.In addition,a novel"identification points"(IPs)system relying on the accurate MS1 and MS2 spectra was used to interpret the data for each suspected pesticide.The methodology was then applied to a pair of maternal and umbilical cord sera.A total of six pesticide residues were screened out successfully.In conclusion,GC-QTOF MS combined with an accurate mass database seemed to be one of the most efficient tools for systematic pesticide analysis. 展开更多
关键词 pesticide residues SCREENING maternal and umbilical cord sera gas chromatography-quadrupole time of flight massspectrometry
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Ultra-performance Liquid Chromatography-Quadrupole/Time-of-Flight Mass Spectrometry Based Bile and Urine Metabonomics Study on the Ameliorative Effects of Curcuma wenyujin Rhizoma on Acute Blood Stasis in Rats
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作者 Min Hao Meng-Ting Zhao +6 位作者 Huang-Jin Tong De Ji Lin Li Lian-Lin Su Wei Gu Chun-Qin Mao Tu-Lin Lu 《World Journal of Traditional Chinese Medicine》 2022年第1期141-152,共12页
Background: Curcuma wenyujin rhizome(CWR) is a commonly used Chinese herbal medicine for treating blood stasis in China for 1000 of years. However, the underlying mechanism of CWR remains unclear. Aims and Objectives:... Background: Curcuma wenyujin rhizome(CWR) is a commonly used Chinese herbal medicine for treating blood stasis in China for 1000 of years. However, the underlying mechanism of CWR remains unclear. Aims and Objectives: The purpose of this study is to clarify the bioactive mechanism of CWR in treating blood stasis. Materials and Methods: In this study, pharmacological indexes, including hemorheology and four blood coagulation indexes were tested. Bile and urine metabolomics were engaged by UPLC-Q/TOF-MS. Multivariate statistical analysis were used to screen out differential endogenous metabolites. Results: The results indicated that CWR significantly ameliorated the hemorheology and coagulation functions of acute blood stasis(ABS) model rats. Moreover, 27 endogenous metabolites between the CWR group and the ABS group were screened, and the levels were all improved to certain degrees by CWR preadministration. Metabonomics results indicated that ABS was mainly related to linoleic acid metabolism, arachidonic acid metabolism, glycerophospholipid metabolism, sphingolipid metabolism, pentose and glucuronate intercereasonversions, steroid hormone biosynthesis, and primary bile acid biosynthesis. Conclusion: In a word, the metabolomics method is consistent with the holistic view of traditional Chinese medicine(TCM) that can be a powerful means to illustrate the biological activity mechanism of CWR in treating blood stasis and to offer research demonstration for further study on the effector mechanism of TCM. 展开更多
关键词 BILE Curcuma wenyujin rhizome metabolomics ultra-performance liquid chromatography-quadrupole/time-of-flight mass spectrometry URINE
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Serum metabolic profiling of targeted bile acids reveals potentially novel biomarkers for primary biliary cholangitis and autoimmune hepatitis 被引量:2
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作者 Zhen-Hua Ma Xiao-Mei Wang +4 位作者 Rui-Hong Wu Da-Lin Hao Li-Chao Sun Pan Li Jun-Qi Niu 《World Journal of Gastroenterology》 SCIE CAS 2022年第39期5764-5783,共20页
BACKGROUND Primary biliary cholangitis(PBC)and autoimmune hepatitis(AIH)are two unexplained immune diseases.The golden standard for diagnosis of these diseases requires a liver biopsy.Liver biopsy is not widely accept... BACKGROUND Primary biliary cholangitis(PBC)and autoimmune hepatitis(AIH)are two unexplained immune diseases.The golden standard for diagnosis of these diseases requires a liver biopsy.Liver biopsy is not widely accepted by patients because of its invasive nature,and atypical liver histology can confuse diagnosis.In view of the lack of effective diagnostic markers for PBC and AIH,combined with the increasingly mature metabolomics technologies,including full-contour metabolomics and target.AIM To determine non-invasive,reliable,and sensitive biochemical markers for the differential diagnosis of PBC and AIH.METHODS Serum samples from 54 patients with PBC,26 patients with AIH and 30 healthy controls were analyzed by Ultra-high performance liquid chromatographytandem mass spectrometry serum metabolomics.The metabolites and metabolic pathways were identified,and the metabolic changes,metabolic pathways and inter-group differences between PBC and AIH were analyzed.Fifteen kinds of target metabolites of bile acids(BAs)were quantitatively analyzed by SRM,and the differential metabolites related to the diagnosis of PBC were screened by receiver operating characteristic curve analysis.RESULTS We found the changes in the levels of amino acids,BAs,organic acids,phospholipids,choline,sugar,and sugar alcohols in patients with PBC and AIH.Furthermore,the SRM assay of BAs revealed the increased levels of chenodeoxycholic acid,lithocholic acid(LCA),taurolithocholic acid(TLCA),and LCA+TLCA in the PBC group compared with those in the AIH group.The levels of BAs may be used as biomarkers to differentiate PBC from AIH diseases.The levels of glycochenodeoxycholic acid,glycochenodeoxycholic sulfate,and taurodeoxycholic acid were gradually elevated with the increase of Child-Pugh class,which was correlated with the severity of disease.CONCLUSION The results demonstrated that the levels of BAs could serve as potential biomarkers for the early diagnosis and assessment of the severity of PBC and AIH. 展开更多
关键词 Primary biliary cholangitis Autoimmune hepatitis Biomarkers Serum metabolic profiling Bile acids Ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry
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Bioprospecting optimal phenology for bioactive molecules in native golden yellow Pleurotus citrinopileatus Singer
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作者 Godfrey Nattoh Erastus Gatebe +1 位作者 Fredrick Musieba Julius Mathara 《Asian Pacific Journal of Tropical Biomedicine》 SCIE CAS 2016年第2期132-142,共11页
Objective: To bioprospect optimal phenological phases as source of novel molecules from native golden yellow Pleurotus citrinopileatus across four phenologies in both aqueous and ethanol extracts, and identify novel m... Objective: To bioprospect optimal phenological phases as source of novel molecules from native golden yellow Pleurotus citrinopileatus across four phenologies in both aqueous and ethanol extracts, and identify novel molecules responsible for these activities.Methods: Standard qualitative assay, Folin–Ciocalteu assay; aluminium chloride spectrophotometric, 2, 2-diphenyl-1-picrylhydrazyl, 2, 20-azinobis(3-ethylbenzothiazoline-6-suslfonic acid, ferricyanide reducing antioxidant power were used to determine total flavonoid, polyphenols, radical scavenging, and reducing power. Spectrophotometric methods were used for lycopene, b-carotene, and total carotenoids, while liquid chromatography quadrupole time of flight mass spectrometry was used for identification and comparative quantitation of polyphenols and flavonoids across the four phenological states. Chem Spider? database was used for the identification of compounds based on their empirical formula, accurate mass and literature review of previously reported compounds in mushroom.Results: Primordial phases exhibited higher contents of secondary metabolites than mature basidiocarps. Polyphenols content differed across physiological phases with primordials exhibiting significant high contents(P < 0.05) [(13.803 ± 0.797) mg gallic acid equivalent/g dry weight]. Distribution of total flavonoids was significantly different(P < 0.05) across physiological states and ranged from(3.311 ± 0.730) to(14.824 ± 0.890) mg quercetin equivalent g dry weight. Ten polyphenol acids and seven flavonoids compounds identified varied across these phases with primordials exhibiting relatively high peak areas. Total antioxidant activities showed a positive correlation with total polyphenols(r = 0.969;P < 0.05) and total flavonoids(r = 0.960; P < 0.05) across these phenologies.Conclusions: These findings provide evidence that primordials of golden yellow mushroom as opposed to their fruiting bodies are potent sources of bioactive health molecules. 展开更多
关键词 BIOPROSPECTING Primordial PHENOLOGY Bioactive molecules Liquid chromatography-quadrupole time of flight mass spectrometry EDIBLE fungi
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Qualitative Distribution of Endogenous Cholesteryl Esters in Plasma of Humans and Three Rodent Species Using Stepwise UPLC-Q-Exactive-MS
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作者 Jing-chen WANG Xue-chen LIU +6 位作者 Peng CAO Sen LI Bing-ying HU Shuai-long JIA Pan YAN Zhi-feng DU Hong-liang JIANG 《Current Medical Science》 SCIE CAS 2022年第4期692-701,共10页
Objective:Cholesteryl esters(CEs)are composed of various fatty acyl chains attached to the hydroxyl groups of cholesterol,and abnormalities in their metabolism are related to many diseases.This study aimed to develop ... Objective:Cholesteryl esters(CEs)are composed of various fatty acyl chains attached to the hydroxyl groups of cholesterol,and abnormalities in their metabolism are related to many diseases.This study aimed to develop an ultrahigh-performance liquid chromatography-quadrupole exactive mass spectrometry(UPLC-Q-Exactive MS)method to identify the CEs in plasma.Methods:First,the MS fragmentation patterns were investigated using seven commercial CE standards.Then,the CEs in plasma were characterized through the accurate mass data of precursor ions and characteristic product ions.A strategy of step-by-step m/z scans in a narrow range was proposed to identify more trace CEs by the full-scan data-dependent MS/MS(ddMS2)mode.Results:A total of 50 CE species consisting of 55 regioisomers were identified in human plasma.Among them,two species were reported for the first time.Conclusion:This study is the most comprehensive identification of CE species in human plasma to date.These results will contribute to the in-depth profiling of CEs in human plasma and provide guidance for animal model selection when studying lipid-related diseases. 展开更多
关键词 cholesteryl ester ultrahigh-performance liquid chromatography-quadrupole exactive mass spectrometry profile PLASMA
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Application of UPLC-QTOF-MS Technology in Quality Stability Evaluation of Moluodan Concentrated Pills
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作者 Huiyun LIU Yingrui TIAN +3 位作者 Jianliang SUI Menglei WANG Miaomiao YIN Zhen WANG 《Medicinal Plant》 CAS 2021年第2期85-89,94,共6页
[Objectives]To use liquid chromatography-mass spectrometry technology to analyze the chemical composition of traditional Chinese medicine and explore its application in the evaluation of quality stability of tradition... [Objectives]To use liquid chromatography-mass spectrometry technology to analyze the chemical composition of traditional Chinese medicine and explore its application in the evaluation of quality stability of traditional Chinese medicine.[Methods]Ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-QTOF-MS)was used to detect the samples of Moluodan concentrated pills.By comparing and analyzing the detection results of 10 different batches of Moluodan concentrated pills,combined with principal component analysis(PCA),the quality stability of Moluodan concentrated pills was evaluated.[Results]A total of 367 chemical components were identified in Moluodan concentrated pills.The average repetition rate of the chemical components contained in the 10 different batches of samples reached 92%.The overall quality stability of the Moluodan concentrated pills was good.[Conclusions]The UPLC-QTOF-MS technology combined with PCA provides a reference for the overall quality evaluation of Moluodan concentrated pills,and provides new detection methods and ideas for the analysis of the components of Chinese medicine. 展开更多
关键词 Moluodan concentrated pill Ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry Quality stability Principal component analysis
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UPLC-Q-TOF/MS-Based Serum Metabolomics Reveals Potential Anti-tumor Mechanism of Banxia Xiexin Decoction in Colorectal Cancer Mice
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作者 YUE Yin-zi LI Ming-xuan +5 位作者 WANG Xiao-hui QIN Yuan-yuan WANG Ya-hui TAN Jin-hua SU Lian-lin YAN Shuai 《Chinese Journal of Integrative Medicine》 SCIE CAS CSCD 2024年第7期623-632,共10页
Objective To clarify the potential mechanism of Banxia Xiexin Decoction(BXD)on colorectal cancer(CRC)from the perspective of metabolomics.Methods Forty male C57BL/6 mice were randomly divided into normal control(NC),a... Objective To clarify the potential mechanism of Banxia Xiexin Decoction(BXD)on colorectal cancer(CRC)from the perspective of metabolomics.Methods Forty male C57BL/6 mice were randomly divided into normal control(NC),azoxymethane/dextran sulfate sodium(AOM/DSS)model,low-dose BXD(L-BXD),high-dose BXD(H-BXD)and mesalamine(MS)groups according to a random number table,8 mice in each group.Colorectal cancer model was induced by AOM/DSS.BXD was administered daily at doses of 3.915(L-BXD)and 15.66 g/kg(H-BXD)by gavage for consecutive 21 days,and 100 mg/kg MS was used as positive control.Following the entire modeling cycle,colon length of mice was measured and quantity of colorectal tumors were counted.The spleen and thymus index were determined by calculating the spleen/thymus weight to body weight.Inflammatory cytokine and changes of serum metabolites were analyzed by enzyme-linked immunosorbent assay kits and ultra performance liquid chromatography-quadrupole/time-of-flight mass spectrometry(UPLC-Q/TOF-MS),respectively.Results Notably,BXD supplementation protected against weight loss,mitigated tumor formation,and diminished histologic damage in mice treated with AOM/DSS(P<0.05 or P<0.01).Moreover,BXD suppressed expression of serum inflammatory enzymes,and improved the spleen and thymus index(P<0.05).Compared with the normal group,102 kinds of differential metabolites were screened in the AOM/DSS group,including 48 potential biomarkers,involving 18 main metabolic pathways.Totally 18 potential biomarkers related to CRC were identified,and the anti-CRC mechanism of BXD was closely related to D-glutamine and D-glutamate metabolism,phenylalanine,tyrosine and tryptophan biosynthesis,arginine biosynthesis,nitrogen metabolism and so on.Conclusion BXD exerts partial protective effects on AOM/DSS-induced CRC by reducing inflammation,protecting organism immunity ability,and regulating amino acid metabolism. 展开更多
关键词 colorectal cancer metabolomics ultra performance liquid chromatography-quadrupole/time-of-flight mass spectrometry AZOXYMETHANE dextran sulfate sodium Banxia Xiexin Decoction Chinese medicine
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Effect on serum metabolomics of rats with premature ovarian insufficiency by Zhibian(BL54) through Shuidao(ST28) acupuncture
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作者 YAN Jing FENG Huimin +6 位作者 QIU Fang WANG Haijun YIN Luyun JIN Xiaofei ZHAO Jiyu WANG Hongyang YAN Xiaoqin 《Journal of Traditional Chinese Medicine》 SCIE CSCD 2024年第4期722-733,共12页
OBJECTIVE:To analyze the serum metabolic targets of the"Zhibian(BL54)through Shuidao(ST28)"acupuncture technique in cyclophosphamide(CTX)-induced premature ovarian insufficiency(POI)model rats and to elucida... OBJECTIVE:To analyze the serum metabolic targets of the"Zhibian(BL54)through Shuidao(ST28)"acupuncture technique in cyclophosphamide(CTX)-induced premature ovarian insufficiency(POI)model rats and to elucidate the potential molecular mechanism of acupuncture in improving POI.METHODS:We used an intraperitoneal injection of CTX to establish the POI rat model(POI group)and compared serum hormone levels and ovarian histopathological changes to evaluate the effect of the Zhibian(BL54)through Shuidao(ST28)technique(ZS+POI group)on ovarian function.Then,nontargeted metabolomics was performed using rat serum by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF/MS).RESULTS:After acupuncture intervention,the serum hormone levels and ovarian pathological morphology of POI rats were effectively improved.Moreover,UPLC-Q-TOF/MS results showed that the ZS+POI group showed a significant reversal of the levels of 6 differential metabolites.Among them,the levels of four serum metabolic markers,divanillyltetrahydrofuran ferulate,trans-ferulic acid,tryptamine,and neuraminic acid,increased significantly.Further analysis of biological effects showed that all metabolites were involved in the regulation of reproductive hormone levels and antioxidant and antiapoptotic effects.CONCLUSIONS:The"Zhibian(BL54)through Shuidao(ST28)"acupuncture method may improve the ovarian function of POI rats by regulating serum metabolite markers to exert antioxidant and antiapoptotic effects,which provides a theoretical basis for the clinical application of acupuncture in the treatment of POI. 展开更多
关键词 ACUPUNCTURE premature ovarian insufficiency metabolomics ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry Zhibian(BL54)through Shuidao(ST28)
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Simultaneous detection of 22 mycotoxins in grape by QuEChERS and ultra-high-performance liquid chromatography coupled with quadrupole/orbitrap high-resolution mass spectrometry
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作者 Meirong Cao Jing Wang +5 位作者 Mengtian Wang Xiaoxuan Yuan Xu Zhang Junzhan Ma Yan Zhang Qiang Li 《Journal of Future Foods》 2024年第4期369-375,共7页
To effectively assess the extent of the mycotoxin contamination of grapes,a method was developed to analyze 22 mycotoxins by ultra-high-performance liquid chromatography coupled with quadrupole/orbitrap high-resolutio... To effectively assess the extent of the mycotoxin contamination of grapes,a method was developed to analyze 22 mycotoxins by ultra-high-performance liquid chromatography coupled with quadrupole/orbitrap high-resolution mass spectrometry(UPLC-Q-Orbitrap HRMS).Samples were extracted and purified using the QuEChERS(quick,easy,cheap,effective,rugged,and safe)procedure.The extracts were separated on a BEH Shield C18 column(100 mm×2.1 mm,1.7μm),using methanol and water with 0.1%formic acid solution and 2 mmol/L ammonium acetate as the mobile phases.The quantification was performed according to a matrix-matched external standard method.There was a good linear relationship within the respective mass concentration ranges of 22 mycotoxins;the correlation coefficients were not less than 0.9981.The limit of quantification was 0.3-10.0μg/kg.Mycotoxin recovery ranged from 68.6%to 109.0%,with a relative standard deviation of 1.28%-12.80%.The method is simple,rapid,highly sensitive,and accurate,making it useful for screening grapes for common and emerging mycotoxins. 展开更多
关键词 Mycotoxins Ultra-high-performance liquid chromatography-quadrupole/orbitrap high-resolution mass spectrometry GRAPE
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地衣内生真菌Pestalotiopsis sp.次生代谢产物 被引量:4
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作者 元超 李刚 +3 位作者 王海英 赵俊凌 郭玉华 丁刚 《菌物学报》 CAS CSCD 北大核心 2018年第2期237-245,共9页
拟盘多毛孢属Pestalotiopsis真菌由于能够产生大量结构新颖活性显著的次生代谢产物,特别是从中发现抗肿瘤药物紫杉醇,成为近年来研究的热点。本研究通过对1株地衣内生真菌Pestalotiopsis sp.的固体培养基次生代谢产物的UPLC-Q-TOF-MS分... 拟盘多毛孢属Pestalotiopsis真菌由于能够产生大量结构新颖活性显著的次生代谢产物,特别是从中发现抗肿瘤药物紫杉醇,成为近年来研究的热点。本研究通过对1株地衣内生真菌Pestalotiopsis sp.的固体培养基次生代谢产物的UPLC-Q-TOF-MS分析,发现该菌株能够产生分子量比较特殊的两个色谱峰。通过进一步的菌株大量发酵,结合硅胶柱色谱,高效液相色谱等技术跟踪分离,得到了2个单体化合物。采用核磁共振波谱技术、质谱技术等方法确定这2个单体化合物平面结构,分别为已知torrenyanic acid衍生物(1)和新化合物pestalotiopsin(2)。比对化合物的CD谱及考虑生源关系,确定了新化合物(2)的绝对构型。化合物1和2的体外抑制人白血病细胞K562实验显示二者均具有抗肿瘤活性,IC50值分别为25.2和32.1μmol/L。 展开更多
关键词 地衣内生菌 PESTALOTIOPSIS torrenyanic acid ultra performance liquid chromatography-quadrupole TIME-OF-FLIGHT mass SPECTROMETRY (UPLC-Q-TOF-MS) 图分析
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