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Single-cell metabolite analysis on a microfluidic chip

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Chinese chemical Letters 2022年第6期33卷 2883-2892页

作者： Chenlong Wang Wanting Hu Liandi Guan Xiaoping Yang Qionglin Liang center for Synthetic and Systems biology Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical BiologyMinistry of EducationDepartment of ChemistryTsinghua UniversityBeijing 100084China State Key laboratory of chemical Oncogenomics The Graduate SchoolTsinghua UniversityShenzhen 518055China

Metabolites can directly reflect and modulate cell responses and phenotypical changes by influencing energy balances,intercellular signals,and many other cellular functions throughout the lifespan of *** into account the heterogeneity of cells,single-cell metabolite analysis offers an insight into the functional process within one *** as a powerful tool has attracted significant interest in the single-cell metabolite analysis *** microfluidic platform is possible to observe,classify,and stimulate individual *** can also transport single-cell to subsequent analysis steps in a fast and controllable way to determine and analyze the composition and content of *** reviews of topics in microfluidics for single-cell metabolite analysis have been published in the past few ***,most of them focused on metabolite analysis with mass ***,we covered the advances of microfluidic devices for single-cell metabolite analysis,with a focus on single-cell isolation and *** is more,we summarized the detection methods and applications of single-cell metabolites.

关键词： Single-cell Metabolomics Microfluidic Cell trapping Cell manipulation Detection

Uncovering chemical Interactions between Danshen and Danggui Using Liquid Chromatography–mass spectrometry and Network Pharmacology-Based Research on Stroke

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World Journal of Traditional Chinese Medicine 2024年第2期10卷 230-243页

作者： Han-Qing Pang Jia-Xiu Guo Xiao-Yu Shang Jian Wang Hui Liu Jing Tian Lu Zhang Jian-Bin Wang Wei Shi Bing-Chun Yan Liang Liu Department of Pharmacy School of MedicineInstitute of Translational MedicineYangzhou UniversityYangzhouChina School of Medicine Jiangsu Key Laboratory of Integrated Traditional Chinese and Western Medicine for Prevention and Treatment of Senile DiseasesYangzhou UniversityYangzhouChina School of Chemistry and Pharmaceutical Sciences State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources(Guangxi Normal University)GuilingChina Yangzhou Food and Drug Inspection and Testing center YangzhouChina

Objective: The objective of this study was to decipher chemical interactions between Danshen and Danggui using liquid chromatography–mass spectrometry(LC-MS) and explore the mechanisms of Danshen–Danggui against stroke using network pharmacology and molecular docking. Materials and Methods: First, the chemical compounds of Danshen–Danggui were profiled using ultra-high-performance liquid chromatography(HPLC)-quadrupole time-of-flight MS. Accurately characterized compounds in various proportions of Danshen–Danggui were quantified using HPLC combined with triple quadrupole electrospray tandem MS. Network pharmacology was used to uncover the essential mechanisms of action of Danshen–Danggui against stroke. Discovery Studio Software was used for the molecular docking verification of key active chemicals and stroke-related targets. Results: A total of 53 compounds were characterized, and 22 accurately identified constituents(10 phenolic acids, 8 phthalides, and 4 tanshinones) were quantified in 15 proportions of Danshen–Danggui. The quantification results showed that Danggui significantly increased the dissolution of most phenolic acids(compounds from Danshen), whereas Danshen promoted the dissolution of most phthalides(compounds from Danggui). Overall, the combination of Danshen and Danggui at a 1:1 ratio resulted in the maximum total dissolution rate. Further network pharmacology and molecular docking results indicated that Danshen–Danggui exerted anti-stroke effects mainly by regulating inflammation-related(tumor necrosis factor, hypoxia-inducible factor, and toll-like receptor) signaling pathways, which ranked among the top three pathways based on Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analysis. Conclusion: The chemical compounds in Danshen–Danggui could interact with each other to increase the dissolution of the most active compounds, which could provide a solid basis for uncovering the compatibility mechanisms of Danshen–Danggui and Danshen–Danggu

关键词： chemical interactions Danggui Danshen liquid chromatography–mass spectrometry network pharmacology

Rapid Profiling of Alkaloids in Several Medicinal Herbs by Matrix-assisted Laser Desorption/Ionization mass spectrometry

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chemical Research in Chinese Universities 2010年第1期26卷 11-16页

作者： LU Lin YUE Hao SONG Feng-rui TSAO Rong LIU Zhi-qiang LIU Shu-ying changchun center of mass spectrometry Changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun 130022 P. R. China Guelph Food Research Centre Agriculture and Agri-Food Canada 93 Stone Road West Guelph Ontario N1G5C9 Canada Graduate School Chinese Academy of Sciences Beijing 100049 P. R. China

A simple method was developed for rapid and direct profiling of alkaloids in medical herbs via matrix-assisted laser desorption/ionization time-of-flight mass spectrometry（MALDI-TOF MS）. The dry herbs were first ground to powder and passed through a stainless steel sieve, mixed with the matrix solution to form a homogeneous suspension, which was then directly applied to MALDI analysis. Several matrices were investigated and 2,5- dihydroxybenzoic acid（DHB） was chosen as the optimized one, and the particle with small size was found to favor the analysis. Using this method, the profiles of alkaloids in several medical herbs were readily obtained, and the toxicities of crude and processed Radix Aconiti Lateralis Preparata were compared via the relative intensities of the peaks of the corresponding toxic components shown in their MALDI spectra. This method therefore provides a rapid and reliable protocol for obtaining profiles of alkaloids in medical herbs by using MALDI-TOF MS.

关键词： Matrix-assisted laser desorption/ionization Alkaloid Medical herb

Fe-N-C heterogeneous Fenton-like catalyst for the degradation of tetracycline:Fe-N coordination and mechanism studies

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Chinese chemical Letters 2024年第9期35卷 309-314页

作者： Weichen Zhu Wei Zuo Pu Wang Wei Zhan Jun Zhang Lipin Li Yu Tian Hong Qi Rui Huang State Key laboratory of Urban Water Resource and Environment(SKLUWRE) School of EnvironmentHarbin Institute of TechnologyHarbin 150090China Guangdong Yuehai Water Investment Co. Ltd.Shenzhen 518021China National Engineering Research center of Urban Water Resources Co. Ltd.Harbin Institute of TechnologyHarbin 150090China

Fe-N-C materials have received increasing attention,due to its distinctive catalytic ***,the Fe-N coordination number dependence of catalytic ability and mechanism for H_(2)O_(2)activation remain ***,a series of Fe-N-C heterogeneous Fenton-like catalysts with different Fe-N coordination number were prepared for tetracycline *** results demonstrated that samples with Fe-N4 structure exhibited high *** excellent performance was mainly ascribed to the high adsorption capacity and the formation of superoxide radicals(•O_(2)^(−))catalyzed by Fe linked to pyridinic *** intermediates and degradation pathways of tetracycline degradation by Fe-N-C/H_(2)O_(2)system were analyzed by liquid chromatography coupled to tandem mass spectrometry(LC-MS/MS).Furthermore,we applied our Fe-N-C catalysts to treat simulated pharmaceutical wastewater with high tetracycline degradation capacity despite high concentrations of organic matter such as oxalic acid and various ionic *** work reveals the dependence of the activation H_(2)O_(2)on the Fe-N coordination environment and the degradation mechanism of these *** provides insights into the prospects for tuning the catalyst in practical applications.

关键词： H_(2)O_(2)activation Advanced oxidation process Superoxide radicals Degradation pathways EXAFS

Fast Determination of Phenanthrene in Soil by Gas Chroma- tography-mass spectrometry Using Chemometric Resolution and Standard Addition Method

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Chinese Journal of Chemistry 2013年第4期31卷 545-550页

作者： Weiwei Yu Wensheng Cai Xueguang Shao State Key laboratory of Medicinal chemical biology Research Center for Analytical Sciences College of Chemistry Nankai University Tianjin 300071 China

A method for fast determination of the component in complex samples by using gas chromatography-mass spectrometry （GC-MS） was developed and used for quantitative analysis of phenanthrene in soils. In the method, window independent component analysis （WICA） was used for resolving the mass spectrum and non-negative im- mune algorithm （NNIA） was employed for obtaining the chromatographic profile. Therefore, spectral and chroma- tographic information of a specific component can be obtained from the measured GC-MS data of overlapping and high background. Six soil samples collected from different places were analyzed. The tedious pretreatments in pre- paring the samples and the elution in the separation were simplified for speeding up the analysis. Due to the com- plexity of the matrix, standard addition method was adopted for the final quantification. The applicability of the method was validated with a spiked sample and the results of the six samples are reasonable.

关键词： phenanthrene gas chromatography-mass spectrometry standard addition method chemoinformatics immune algorithm

Mechanism of accelerated dissolution of mineral crystals by cavitation erosion

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Acta Geochimica 2020年第1期39卷 11-42页

作者： Haotian Su Weijian Zhou State Key laboratory of Loess and Quaternary Geology Institute of Earth EnvironmentChinese Academy of SciencesXi'an 710061China Shaanxi Key laboratory of Accelerator mass spectrometry and Application Xi'an AMS CenterXi'an 710061China University of Chinese Academy of Sciences Beijing 100049China

Cavitation,a phenomenon produced by a moving fluid,is ubiquitous in the water environment of the Earth's surface and its related mechanical action in the process of cavitation leads to the widespread erosion of rock in *** the mechanical action of flowing water body that accelerates the rock mass loss and fragmentation of rock(abrasion,erosion,and etching)and other phenomena have been much studied,its acceleration of mineral crystal dissolution is rarely *** physical mechanism of effect is not yet *** cavitation bubble produced in the cavitation process is at the micron level,and its related mechanical action leading to the accumulation of rock mineral dissolution is manifested in time and space in the process of the chemical element's migration between water and rock *** erosion may be one of the important driving forces for the migration of geochemical elements within the lithosphere and *** this paper,based on the crystal dissolution stepwave dynamic theory and the theoretical derivation and calculation of Gibbs free energy change of the mineral crystals plastic deformation which caused by the mechanical action of cavitation erosion,we give the possible mechanism of accelerating the transient dissolution of mineral crystals by cavitation erosion—the cavitation bubbles on the surface of the near crystal release the high speed micro-jet and shock wave perpendicular to the surface during the collapsing,in which the water hammer pressure produced by micro-jet at the solid–liquid interface causes instantaneous plastic deformation on the crystal surface under the condition that it is larger than the yield stress of the *** the influence of the thermal effect of the plastic deformation process and the change of Gibbs free energy(the dislocation elastic strain energy of plastic deformation on the crystal surface may be included),the local instantaneous dissolution rate of the mineral surface is accelerated.T

关键词： Cavitation erosion Mineral dissolution Plastic deformation Stepwave Gibbs free energy

Abundant Production of Reactive Water Radical Cations under Ambient Conditions

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CCS Chemistry 2022年第4期4卷 1224-1231页

作者： Meng Wang Xiao-Fei Gao Rui Su Peng He Yuan-Yuan Cheng Ke Li Dongbo Mi Xiaoping Zhang Xinglei Zhang Huanwen Chen R.Graham Cooks Jiangxi Key laboratory for mass spectrometry and Instrumentation East China University of TechnologyNanchang 330013 State Key laboratory of Inorganic Synthesis and Preparative Chemistry College of ChemistryJilin UniversityChangchun 130012 Department of Chemistry and center for Analytical Instrumentation Development Purdue UniversityWest LafayetteIN 47907

Water radical cations,the crucial intermediates in many aqueous reactions and biochemical processes,are difficult to investigate experimentally due to their short lifetime ***,ahomemade device based on energy-tunable discharge was employed to deposit suitable amounts of energy to atmospheric pressure pure water vapor for abundant production of water radical cations,stabilized as(H_(2)O)n^(+·)(n=2-5)with a maximal abundance of≥8.3×10^(6) cps for(H_(2)O)_(2)^(+·),characterized by mass spectrometry(MS).The abundance of water radical cations was optimized by adjusting the experimental parameters such as the discharge voltage(2.5 kV),temperature of the MS inlet(140℃),carrier gas flow(20mL/min),and the distance between the discharge tip and MS inlet(12 mm).The ambient formation of water radical cationswas further confirmedby thehigh reactivity of as-prepared water radical cations,which reacted with benzene,ethyl acetate,and dimethyl disulfide instantly,showing rich chemistry with ionic and radical ***,the computations usingCCSD(T)//MP2 method and density functional theory confirmed that the O-O single-electron bound dimer(B),as well as the hydronium hydroxyl radical complex(A),accounted for the unusual chemistry of the water radical cations,providing a facile approach to access the high reactivity ofwater radical cations under the ambient conditions.

关键词： water radical cation mass spectrometry O-O single-electron bound dimer of water radical cation hydronium hydroxyl dimer of water radical cation

Determining the in vitro Anti-Aging Effect of the Characteristic Components from Eucommia ulmoides

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Journal of Renewable Materials 2022年第12期10卷 3131-3145页

作者： Xuesong Wang Zhihong Wang Qiuling Yang Sheng Peng Mijun Peng Guangdong Provincial Key laboratory of chemical Measurement and Emergency Test Technology Guangdong Provincial Engineering Research Center for Ambient Mass SpectrometryInstitute of AnalysisGuangdong Academy of Sciences(China National Analytical CenterGuangzhou)Guangzhou510070China Guangdong Provincial Key laboratory of Silviculture Protection and UtilizationGuangdong Academy of ForestryGuangzhou510520China National&Local United Engineering laboratory of Integrative Utilization Technology of Eucommia ulmoides Jishou University Jishou427000China

To evaluate the potential anti-aging ability of Eucommia ulmoides,four characteristic components(chlorogenic acid,geniposidic acid,aucubin,quercetin)were selected to assess their effects on H_(2)O_(2)-induced oxidative damage model of human umbilical vein endothelial cell(HUVEC).Oxidative damage indexes,inflammatory factors,cell cycle,cell apoptosis,cell senescence,and their related proteins were analyzed by methyl thiazolyl tetrazolium(MTT)assay,enzyme-linked immunosorbent assay(ELISA),propidium iodide(PI)staining,annexin V-FITC/PI double staining,SAβ-galactosidase staining,and western blotting(WB).The results showed that H_(2)O_(2)-induced cell growth inhibition rate decreased as supplementation with characteristic components when compared to H_(2)O_(2) ***,the contents of antioxidant indexes(reactive oxygen species,lactate dehydrogenase,molondialdehyde,superoxide dismutase,glutathione),inflammatory factors(nuclear factor kappa-B,intercellular cell adhesion molecule-1,vascular cell adhesion protein 1),and functional factors(NO,Endothelin-1)in characteristic components treated groups improved if comparison with H_(2)O_(2) group,suggesting the characteristic components of *** could alleviate H_(2)O_(2)-induced oxidative ***,cell cycle,cell apoptosis,cell senescence,and their related proteins under characteristic components treatment exhibited a better effect than under H_(2)O_(2) treatment,implying the characteristic components could participate in anti-aging via multiple *** results manifested that the characteristic components of *** posses the capacity of anti-aging,which provided a basis for investigating the anti-aging ability of *** itself.

关键词： Anti-aging Eucommia ulmoides characteristic components oxidative damage cell senescence

Predicting Chromatographic Retention Time of C10-Chlorinated Paraffins in Gas Chromatography-mass spectrometry Using Quantitative Structure Retention Relationship

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chemical Research in Chinese Universities 2015年第2期31卷 192-197页

作者： XIA Zhenzhen CAI Wensheng SHAO Xueguang Collaborative Innovation center of chemical Science and Engineering(Tianjin) State Key Laboratory of Medicinal Chemical Biology Research Center for Analytical Sciences College of Chemistry Nankai University Tianjin 300071 P. R. China

Chlorinated paraffins（CPs） are potential persistent organic pollutants（POPs）, which threat the safety of environment and organisms. However, the analysis of CPs is a difficult task due to their complex composition containing thousands of congeners. In the present work, quantitative structure retention relationship（QSRR） of CPs was studied. A total of 470 molecular descriptors were generated, for describing the structures of 28 CPs and 12 descriptors relevant to retention time of the CPs were selected by stepwise regression. Then, QSRR models between retention time on the one hand and the selected descriptors on the other hand were established by multiple linear regres- sion（MLR）, partial least squares（PLS） and least square support vector regression（LS-SVR）. The result shows that PLS model is better than MLR and LS-SVR, obtaining a squared correlation coefficient（r2） of 0.9996 and a root mean squared error（RMSE） of 0.015. The PLS model was then used to predict the retention time of 49 C10-CPs. Three of them were investigated by gas chromatography coupled with mass spectrometry（GC-MS）. A well-defined correlation was found between the measured retention time and the predicted value.

关键词： Chlorinated paraffin Multivariate calibration Retention time Quantitative structure retention relationship