JOURNAL OF ANALYTICAL CHEMISTRY
·
2020
·Vol. 75
·期 8
·1024-1032
·
IF 0.84
Jialin Du,Pei Xingli,Zhao Haiyan,Gong Can,Xu Xu
Abstract Schisandrae chinensis fructus (Wuweizi) contains many triacylglycerols ( TAGs ). Therefore, it is inevitable that these TAGs will be part of Chinese medical preparations of Schisandrae chinensis fructus . It is important to identify TAGs in Schisandrae chinensis fructus . Fatty acids in Schisandrae chinensis fructus oil were identified by gas chromatography−mass spectrometry ( GC−MS ) after transesterification. TAGs were determined by liquid chromatography−mass spectrometry ( LC−MS ) and confirmed by high-resolution Fourier transform-ion cyclotron resonance-mass spectrometry ( FT−ICR−MS ). Seven kinds of fatty acids were detected in Schisandrae chinensis fructus oil of which linoleic acid ( L ) and oleic acid ( O ) accounted for 93%. Also, 7 TAGs were recognized in the oil. LLL, OLL, OOL and PLL were the main components ( P corresponds to palmitic acid). The LLL composed approximately half of the oil of Schisandrae chinensis fructus by mass. The composition of fatty acids and TAGs in Schisandrae chinensis fructus was determined by GC−MS, LC−MS and FT−ICR−MS.
研究领域:
中药学
·
分析化学
·
植物化学
✓ 已验证
DOI
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2019
·Vol. 20
·期 16
·3875
·
IF 4.183
Meng Pan,Qicheng Lei,Ning Zang,Hong Zhang
The discovery of medicinal plants is crucial for drug development.Eucalyptus globulusleaves are used as a traditional medicine in many areas of world due to herbicidal and insecticidal activity. While natural products are difficult to be separated and activity assayed, a new approach is needed to predict the active ingredients therein. In this study, a new method for screening active compounds extracted fromE. globulusleaves was developed by GC-MS/MS and UPLC-MS/MS combined with molecular docking technology. Predicted compounds with high activity were proposed. Firstly, 35 volatile compounds and 34 aqueous extracted compounds were extracted fromE. globulusleaves, and identified by GC-MS/MS and UPLC-MS/MS. The herbicidal receptor (1BX9) was then docked with the identified compounds by docking software, evaluated by docking models and seven scoring functions. The results showed that gallic acid had a strong inhibitory activity of 1BX9, which was speculated to be the main reason for the inhibitory effect ofE. globulusleaves. Finally, allelopathic tests of gallic acid, citric acid, and isopulegol were carried out on grass seeds to verify its inhibitory activity against herbicide receptor 1BX9. The results show that the method can screen compounds with specific activity from a complex system of medicinal plants, which is very important for the screening of new active ingredients, confirmation of new medicinal ingredients, and the in-depth development of animal and plant medicines.Keywords:Eucalyptus globulus;GC-MS/MS;UPLC-MS/MS;molecular docking;allelopathic test
研究领域:
植物化学
·
药物开发
·
生物信息学
✓ 已验证
DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2018
·
IF 2.831
Yan Du,Bing-ju Xu,Xu Deng,Xiao-wen Wu,Yin-jie Li,Shi-rui Wang,Yi-nan Wang,Shuai Ji,Meng-zhe Guo,Dong-zhi Yang,Dao-quan Tang
Diabetic nephropathy (DN) is one of the leading causes of death in diabetes mellitus (DM). Early warning and therapy has significant clinical value for DN. This research sought to find biomarkers to predict the occurrence and development of DN and the intervention of Ginkgo biloba leaves extract (GBE) by quantifying fatty acids, amino acids, and nucleosides and nucleobases in rat plasma. Samples were respectively collected at the weekend of 5–10 weeks after diabetic rats induced by streptozotocin were defined. Plasma fasting blood-glucose, kidney index, blood urea nitrogen, creatinine, urine albumin excretion and ultrastructural morphology of kidney were measured or observed. Fatty acids, amino acids and nucleosides and nucleobases in rat plasma were analyzed by gas chromatography or liquid phase chromatography and mass spectrometry, respectively. From the biochemical index and morphological change of kidney, the rats from the 5th to 7th week were in the stage of DM while from the begin of 8th week the rats were suggested in the early stage of DN. The results of quantitative metabolomics showed that 16 differential metabolites were related to the progression of DN, and oleic acid, glutamate and guanosine might be the potential biomarkers of kidney injury. 14 differential metabolites were related to GBE against the progression of DN, while oleic acid and glutamate might be the potential biomarkers of GBE against kidney injury. Those findings potentially promote the understanding of the pathogenic progression of DN and reveal the therapeutic mechanism of GBE against DN.
研究领域:
医学
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药理学
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代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Foods
·
2022
·Vol. 11
·期 12
·1694
·
IF 5.561
Kai Xu,Caiyun Tian,Chengzhe Zhou,Chen Zhu,Jingjing Weng,Yun Sun,Yuling Lin,Zhongxiong Lai,Yuqiong Guo
Rougui Wuyi Rock tea (WRT) with special flavor can be affected by multiple factors that are closely related to the culturing regions of tea plants. The present research adopted non-targeted metabolomics based on liquid chromatography–mass spectrometry (LC-MS) and gas chromatography–mass spectrometry (GC-MS), aroma activity value method (OAV), and chemometrics to analyze the characteristic metabolites of three Rougui WRTs from different culturing regions. The results of sensory evaluation showed that the three Rougui Wuyi Rock teas had significantly different flavor qualities, especially in taste and aroma. Rougui (RG) had a heavy and mellow taste, while cinnamon-like odor Rougui (GPRG) and floral and fruity odor Rougui (HGRG) had a thick, sweet, and fresh taste. The cinnamon-like odor was more obvious and persistent in GPRG than in RG and HGRG. HGRG had floral and fruity characteristics such as clean and lasting, gentle, and heavy, which was more obvious than in RG and GPRG. The results of principal component analysis (PCA) showed that there were significant metabolic differences among the three Rougui WRTs. According to the projection value of variable importance (VIP) of the partial least squares discriminant analysis (PLS–DA), 24 differential non-volatile metabolites were identified. The PLSR analysis results showed that rutin, silibinin, arginine, lysine, dihydrocapsaicin, etc. may be the characteristic non-volatiles that form the different taste outlines of Rougui WRT. A total of 90 volatiles, including aldehydes, alcohols, esters, and hydrocarbons, were identified from the three flavors of Rougui WRT by using GC-MS. Based on OAV values and PLS-DA analysis, a total of 16 characteristic volatiles were identified. The PLSR analysis results showed that 1-penten-3-ol, α-pinene, 2-carene, β-Pinene, dehydrolinalool, adipaldehyde, D-limonene, saffron aldehyde, and 6-methyl-5-hepten-2-one may be the characteristic volatiles that form the different aroma profile of Rougui WRT. These results provide the theoretical basis for understanding the characteristic metabolites that contribute to the distinctive flavors of Rougui WRT.Keywords:Rougui Wuyi Rock tea;LC-MS;GC-MS;characteristic components;flavor quality
研究领域:
茶叶科学
·
代谢组学
·
食品化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
·
2013
·
IF 4.387
Shanshan Zeng,Lu Wang,Teng Chen,Haibin Qu
A surface flowing mode sample holder was designed as an alternative sampling strategy for direct analysis in real time mass spectrometry (DART-MS). With the sample holder, the on-line coupling of macroporous resin column chromatography with DART-MS was explored and the new system was employed to monitor the column chromatography elution process of Panax notoginseng . The effluent from macroporous resin column was first diluted and mixed with a derivatization reagent on-line, and the mixture was then directly transferred into the ionization region of DART-MS by the sample holder. Notoginsenosides were methylated and ionized in a metastable helium gas stream , and was introduced into MS for detection. The on-line system showed reasonable repeatability with a relative standard deviation of 12.3% for the peak area. Three notoginsenosides, i.e. notoginsenoside R 1 , ginsenoside Rb 1 and ginsenoside Rg 1 , were simultaneously determined during the eluting process. The alteration of the chemical composition in the effluent was accurately identified in 9 min, agreeing well with the off-line analysis. The presented technique is more convenient compared to the traditional UPLC method. These results suggest that the surface flowing mode DART-MS has a good potential for the on-line process monitoring in the pharmaceutical industry .
研究领域:
分析化学
·
中药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2024
·
IF 4
Han Xia,Hongyan Zhang,Zhehui Zhu,Kai xuan Tong,Qiaoying Chang,Hongyi Zhang,Chunlin Fan,Hui Chen
A method for the determination of eight biogenic amines (BAs) in air-dried yak meat was established using ultra-performance liquid chromatography–mass spectrometry (UPLC–MS/MS) without derivatization. The conditions of UPLC–MS/MS, pH, hydration volume, extraction solvent, extraction salt, and clean-up sorbent were optimized according to the characteristics of the BAs and the sample matrix. The samples were extracted with acetonitrile, the extract was purified using primary secondary amine (PSA) and C 18 . The BAs were determined using multiple reaction monitoring (MRM) within 5 min. The eight BAs exhibited good linearity, and the determination coefficient ( R 2 ) was greater than 0.997. The limits of detection (LODs) and the limits of quantification (LOQs) ranged from 0.40 to 2.50 μg/kg and from 1.25 to 7.50 μg/kg, respectively. The accuracy was between 80.3 % and 109.6 %, with relative standard deviations (RSDs) between 0.4–7.1 %. The method was applied in the detection of representative commercial samples of different processing techniques. In this method, the sample was pretreated free of derivatization and was simple, rapid, with minimum personal error, and high sensitivity. The method was assessed via GAPI and BAGI, verifying its environmental friendliness and applicability. It provides reliable methodological support for the determination of BAs in meat products.
研究领域:
食品科学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2015
·
IF 2.912
Xin Li,Man-Man Wang,Guo-Ying Zheng,Lian-Feng Ai,Xue-Sheng Wang
A hydrophobic monolith (10 mm × 2.1 mm i.d.) was developed as a reusable online solid-phase extraction (SPE) sorbent coupled with LC-MS/MS for the rapid determination of five avermectin residues in foodstuffs of both plant and animal origin. The online SPE was achieved using a 10 mmol/L ammonium acetate solution as the loading solvent, and acetonitrile (MeCN) was selected for the washing step. After being transferred from the monolith into a C18 analytical column using MeCN, the analytes were analyzed by LC-MS/MS using MeCN/0.1% NH4OH (10:90, v/v) as the mobile phase. The detection limit was 2 μg/kg for five avermectins, and the recoveries in fresh pear, chili seed, bovine muscle, and milk ranged from 71.8% to 101.3% with relative standard deviations of less than 8.94%. The online SPE and determination were achieved within 15 min, and the monolithic extractor was reusable for more than 500 experiments.
研究领域:
分析化学
·
食品安全
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
·
2023
·
IF 3.1
Xiaomei Wu,Bin Pang,Jianwei You,Leiye Yu,Ruobing Ren,Hongyang Wang,Li Chen
Sphingosine-1-phosphate (S1P) is an active signaling metabolite synthesized by blood cells, exported into blood stream, and can trigger many downstream signaling pathways with disease implications. Understanding how S1P is transported is of great values for dissecting the function of S1P, but most existing methods for measuring S1P transporter activity use radioactive substrates or involve multiple workup steps, hindering their broader uses. In this study, we develop a workflow combining sensitive LC-MS measurement and a cell-based transporter protein system to measure the export activity of S1P transporter proteins. Our workflow demonstrated good applications in studying different S1P transporters SPNS2 and MFSD2B, WT and mutated protein, and different protein substrates. In summary, we provide a simple yet versatile workflow for measuring the export activity of S1P transporters, facilitating future studies of S1P transport mechanism and drug development.
研究领域:
生物化学
·
药理学
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2012
·
IF 4.531
Kaoqi Lian,Pingping Zhang,Lingmei Niu,Siyuan Bi,Shipeng Liu,Lingling Jiang,Weijun Kang
A new method was developed for determination of ketamine (KT) in urine and plasma samples by derivatization and gas chromatography–mass spectrometry. In this article, KT was first derivatized with sodium nitrite to volatile N-nitrosamines under acidic condition. Then the derivative had been identified by the mass spectra. The derivatization conditions including the amount of hydrochloric acid, the amount of sodium nitrite, reaction temperature, reaction time and the extraction reagents were optimized. Calibration curves were linear in the range of 0.04–20 μg mL −1 for KT, and the limit of detection (LOD) and limit of quantitation (LOQ) were 0.01 μg mL −1 and 0.04 μg mL −1 , respectively. The results of recovery indicated that the method had good precision and reproducibility. Compared with existing derivatization methods, this method provided a rapid, convenient, effective and low-cost way for gas chromatography method of KT quantification.
研究领域:
分析化学
·
医学检验
✓ 已验证
DOI
PubMed
高影响因子
Food Analytical Methods
·
2023
·Vol. 16
·期 3
·633-649
·
IF 2.9
Li Fan,Wang Zhanhua,Zhu Bingqi,Xu Xiaoying,Liu Zhu
Anesthetics are widely applied in cultivation and transportation of aquatic products to reduce the metabolism of fish and avoid some stress reactions. The overdose of using anesthetics or the occurrence of their residues in the aquatic products may negatively affect human health after consumption. A rapid screening procedure and a new analytical method for the simultaneous determination of 14 anesthetics was established in this study. The compounds were extracted from fish and shrimp matrices by sodium acetate buffer solution, cleaned up via solid-phase extraction, and then were analyzed using an ultrahigh-performance liquid chromatography system coupled with a tandem quadrupole-time-of-flight mass spectrometer (UPLC-Q-TOF–MS) in a positive-ion mode. Methodological verification analyses, including linearity, precision, recovery, limit of detection (LOD), and limit of quantification (LOQ), were conducted to validate the method. The correlation coefficient of the calibration curves of each anesthetic exceeded 0.99. The average recoveries of this analysis method varied from 72.36 to 111.27% with relative standard deviations less than 5%. The detection limit of anesthetics reached 0.3–0.7 μg/kg. Agilent Mass Hunter Personal Compound Database Library (PCDL) Manager was used to establish a database of 14 anesthetics and 8 isotope internal standards, which enabled a quick screening and analysis without standard substances. The results of the spiked blank samples demonstrated reliability of the screening method with mass deviations less than 5 ppm and the scores determined by relative molecular mass, retention time, isotope ratio, and distribution all greater than 85. In addition, according to the fragmentation information of mass spectrometry, the fragmentation rules of some anesthetics were summarized. This method was validated with reliable results in quantitative and qualitative analysis and could be used as regulatory measures for anesthetics in aquatic products.
研究领域:
食品安全
·
分析化学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2022
·Vol. 33
·期 4
·577-589
·
IF 3.024
Xiao-Lei Miao,Hui-Min Ma,Qin-Hao Ke,Shi-Yue Wang,Hong-Fu Zhou,Min Zheng
Aim To establish a fast, sensitive and accurate high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method for determining the monosaccharide content of Qingzhuan Dark Tea polysaccharides in different years (2 years, 5 years and 11 years). Methods The optimised chromatographic conditions were achieved on a C18 column (5.0 μm, 250 mm × 4.6 mm inner diameter). The mobile phase flow rate was 0.9 mL/min and the column temperature was set to 27°C. The aqueous phase A (5 mM aqueous ammonium acetate) and organic phase B (acetonitrile) were used to elute the target analyses isocratically (0–60 min: 18% B). The mass spectrometer detector was equipped with an electron spray ionisation (ESI)source, and multiple reaction monitoring (MRM) mode was used for the determination of 1-phenyl-3-methyl-5-pyrazolone (PMP) derived monosaccharides. Results We carried out a comprehensive methodological validation of PMP derived monosaccharides, including linearity, precision, stability and repeatability. Nine monosaccharides (rhamnose, mannose, ribose, glucose, galacturonic acid, xylose, galactose, fucose and arabinose) of Qingzhuan Dark Tea polysaccharides were identified, in which ribose and fucose were reported for the first time. The results showed the contents of these nine monosaccharides differed significantly among different years. Conclusions The validated method is reliable, accurate, repeatable and can be applied to quality assessment of these monosaccharides.
研究领域:
食品科学
·
分析化学
·
植物化学
✓ 已验证
DOI
高影响因子
Frontiers in Plant Science
·
2022
·
IF 6.627
Song Cheng,Zhang Yunpeng,Manzoor Muhammad Aamir,Li Guohui
Jasmonate (JA) signaling plays a pivotal role in plant stress responses and secondary metabolism. Many studies have demonstrated that JA effectively induce the expressions of alkaloid biosynthetic genes in various plants, which rendered to the accumulation of alkaloid to counteract stresses. Despite the multiple roles of JA in the regulation of plant growth and different stresses, less studied involved in the regulatory role of JA in Dendrobium officinale alkaloids. A strategy for the rapid identification of alkaloid and the intermediates of D. officinale was established based on a solid-phase extraction coupled with high-performance liquid chromatography tandem mass spectrometry method. By using SPE-LC-MS/MS method, the potential compounds were tentatively identified by aligning the accurate molecular weight with the METLIN and Dictionary of Natural Products databases. The chemical structures and main characteristic fragments of the potential compounds were further confirmed by retrieving the multistage mass spectra from the MassBank and METLIN databases. The Mass Frontier software was used to speculate the fragmentation pathway of the identified compounds. Seven alkaloids were separated and identified from D. officinale, which were mainly classified into five types (tropane alkaloids, tetrahydroisoquinoline alkaloids, quinolizidine alkaloids, piperidine alkaloids, and spermidine alkaloids). Besides the alkaloids, forty-nine chemical substances, including guanidines, nucleotides, dipeptides, sphingolipids and nitrogen-containing glucosides, were concurrently identified. These findings gives the composition of chemicals currently found in D. officinale, which could provide the scientific method for the identification of alkaloids in other Dendrobium plants.
研究领域:
植物化学
·
药用植物学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）