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Analysis of mechanisms of Shenhuang Granule in treating severe COVID-19 based on network pharmacology and molecular docking

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Journal of Integrative Medicine 2022年第6期20卷 561-574页

作者： Xiang-ru Xu Wen Zhang Xin-xin Wu Hong-qiang Yang yu-ting Sun yu-ting pu Bei Wang Wei Peng Li-hua Sun Quan Guo Shuang Zhou Bang-jiang Fang Department of Emergency Longhua HospitalShanghai University of Traditional Chinese MedicineShanghai 200032China Acupuncture and Massage College Shanghai University of Traditional Chinese MedicineShanghai 201203China Institute of Critical Care Shanghai University of Traditional Chinese MedicineShanghai 201203China

Objective:Severe cases of coronavirus disease 2019(COVID-19)are expected to have a worse prognosis than mild *** Granule(SHG)has been shown to be a safe and effective treatment for severe COVID-19 in a previous randomized clinical trial,but the active chemical constituents and underlying mechanisms of action remain *** goal of this study is to explore the chemical basis and mechanisms of SHG in the treatment of severe COVID-19,using network ***:Ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry was employed to screen chemical constituents of *** therapeutic targets were predicted by searching traditional Chinese medicine system pharmacology database and analysis platform,Swiss Target Prediction,and Gene Expression Omnibus(GEO)*** target protein–protein interaction network and enrichment analysis were performed to investigate the hub genes and presumptive *** docking and molecular dynamics simulations were used to verify the stability and interaction between the key chemical constituents of SHG and COVID-19 protein ***:Forty-five chemical constituents of SHG were identified along with 131 corresponding therapeutic targets,including hub genes such as HSP90AA1,MMP9,CXCL8,PTGS2,IFNG,DNMT1,TYMS,MDM2,HDAC3 and *** enrichment analysis indicated that SHG mainly acted on the neuroactive ligand-receptor interaction,calcium signaling pathway and c AMP signaling *** docking showed that the key constituents had a good affinity with the severe acute respiratory syndrome coronavirus 2 protein *** dynamics simulations indicated that ginsenoside Rg4 formed a stable protein-ligand complex with ***:Multiple components of SHG regulated multiple targets to inhibit virus invasion and cytokine storm through several signaling pathways;this provides a scientific basis for clinical applications and further experiments.

关键词： COVID-19 SARS-CoV-2 Shenhuang granule Mechanism Network pharmacology Molecular docking Molecular dynamics simulation

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Fabrication of surface passivated two-dimensional MFI zeolite for alkylation between toluene with methanol

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Frontiers of Chemical Science and Engineering 2024年第4期18卷 115-124页

作者： Zhenyuan Zou Shengzhi Gan ting pu Xingxing Zeng Yi Huang Baoyu Liu School of Chemical Engineering and Light Industry Guangdong University of TechnologyGuangzhou 510006China School of Engineering Institute for Materials&Processesthe University of EdinburghEdinburgh EH93FBUnited Kingdom

The fabrication of suitable MFI zeolites to effectively produce para-xylene through the alkylation between toluene and methanol is highly ***,the two-dimensional pillared MFI zeolite was modified by silicalite-1,and its morphology and structure were systematically investigated by tuning the concentration of Si species during the secondary crystallization *** MFI zeolites were characterized by X-ray diffraction,transmission electron microscopy,pyridine-infrared and N_(2) adsorption-desorption *** characterization results showed that the external Brønsted acid sites of surface passivated P-MFI-x samples have been successfully ***,the P-MFI-23 showed long lifetime and high selectivity of para-xylene(about 35%)based on the cooperation between opened interlamellar structure and passivated silicalite-1 *** was found that the accumulated hard coke in the interior of MFI zeolites not only blocked the channels of zeolites but also covered the acidic sites,resulting in the deactivation of ***,the highest selectivity of para-xylene(about 48%)can be achieved for P-MFI-30 under harsh reaction condition,which also exhibited excellent regeneration property in the alkylation reaction between toluene and *** strategy described in present research may open a window for the design of other advanced materials.

关键词： alkylation MFI nanosheets catalysis

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Efficacyand Safetyof Huashi Baidu Granules in Treating Patients with SARS-CoV-2Omicron Variant: A Single-Center Retrospective Cohort Study

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Chinese Journal of Integrative Medicine 2024年第2期30卷 107-114页

作者： CHEN Cai-yu ZHANG Wen XU Xiang-ru pu yu-ting TU Ya-dan PENG Wei YAO Xuan ZHOU Shuang FANG Bang-jiang Department of Emergency Longhua HospitalShanghai University of Traditional Chinese MedicineShanghai(200032)China Department of Classical Traditional Chinese Medicine Chongqing Hospital of Traditional Chinese MedicineChongqing(400021)China Acupuncture and Massage College Shanghai University of Traditional Chinese MedicineShanghai(201203)China Institute of Emergency and Critical Care Medicine Shanghai University of Traditional Chinese MedicineShanghai(200032)China

Objective:To evaluate the efficacy and safety of Huashi Baidu Granules(HSBD)in treating patients with severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)Omicron ***:A single-center retrospective cohort study was conducted during COVID-19 Omicron epidemic in the Mobile Cabin Hospital of Shanghai New International Expo Center from April 1st to May 23rd,*** COVID-19 patients with asymptomatic or mild infection were assigned to the treatment group(HSBD users)and the control group(non-HSBD users).After propensity score matching in a 1:1 ratio,496 HSBD users of treatment group were matched by propensity score to 496 non-HSBD *** in the treatment group were administrated HSBD(5 g/bag)orally for 1 bag twice a day for 7 consecutive *** in the control group received standard care and routine *** primary outcomes were the negative conversion time of nucleic acid and negative conversion rate at day *** outcomes included the hospitalized days,the time of the first nucleic acid negative conversion,and new-onset symptoms in asymptomatic *** events(AEs)that occurred during the study were *** subgroup analysis was conducted in vaccinated(378 HSBD users and 390 non-HSBD users)and unvaccinated patients(118 HSBD users and 106 non-HSBD users).Results:The median negative conversion time of nucleic acid in the treatment group was significantly shortened than the control group[3 days(IQR:2-5 days)vs.5 days(IQR:4-6 days);P<0.01].The negative conversion rate of nucleic acid in the treatment group were significantly higher than those in the control group at day 7(91.73%vs.86.90%,P=0.014).Compared with the control group,the hospitalized days in the treatment group were significantly reduced[10 days(IQR:8-11 days)vs.11 days(IQR:10.25-12 days);P<0.01].The time of the first nucleic acid negative conversion had significant differences between the treatment and control groups[3 days(IQR:2-4 days)vs.5 days(IQR:

关键词： Huashi Baidu Granule severe acute respiratory syndrome coronavirus 2 Omicron variant retrospective cohort trial Chinese medicine

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Experimental analysis of matrix moveable oil saturation in tight sandstone reservoirs of the south Ordos Basin,China

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Energy Geoscience 2024年第1期5卷 184-195页

作者： ting Xu Jun pu Xuejie Qin Yi Wei Science and Technology Development Department Petroleum Exploration&Production Research InstituteSINOPECBeijing100083China Center Research Department of North China Petroleum Exploration&Production Research Institute SINOPECBeijing100083China Oil Field Development Department Petroleum Exploration&Production Research InstituteSINOPECBeijing100083China

Tight oil reservoirs in the south Ordos Basin are characterized by fractured,heterogeneous oil-bearing strata(an oil saturation of less than 55%on average),normal pressure(0.8±)and extra-low permeability(less than 0.3 mD).In the Chang 8 tight sandstone reservoir in Honghe oilfield,micro-and nanopores,especially those with a pore-throat radius of less than 1 mm,account for more than 90%.Fluid flow in the matrix is non-linear and crude oil flow rates are very low under normal pressure *** improved understanding of oil mobility in a tight matrix is key to further development of normalpressure tight-oil resources in the continental *** this study,constant-velocity and high-pressure mercury injection experiments were conducted using samples of typical tight sandstone cores obtained from the south of Ordos Basin.A new method for reconstructing the full-scale pore-throat distribution characteristics of tight sandstone reservoirs was established successfully,based on which multistage centrifugal tests,tests of low-pressure differential displacement of oil by water,and nuclear magnetic resonance tests were conducted in order to obtain the distribution characteristics of moveable fluid in different *** moveable oil saturation(MOS)and degree of oil recovery(*** of accumulative oil production to producing geologic reserves)of the core samples under different differential pressures for displacement were *** for the tight oil reservoirs in the south Ordos Basin,the moveable fluids are mainly stored in sub-micron(0.10-0.5 mm)*** Type I reservoirs(k>0.1 mD),the volume percentage of moveable fluid in pores with a radius larger than 0.5 mm is relatively high(greater than 40%).The degree of oil recovery of water flooding serves as the basis for forecasting recoverable reserves for tight oil *** reserves under water flooding,mainly occur in pores with a radius greater than 0.5 *** contribution of Type I reserves to oil pro

关键词： Tight reservoir Pore-throat structure Moveable fluid volume Moveable oil saturation(MOS) Waterflooding oil recovery South Ordos basin

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A possible probe to neutron-skin thickness by fragment parallel momentum distribution in projectile fragmentation reactions

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Nuclear Science and Techniques 2024年第6期35卷 114-119页

作者： Chun-Wang Ma Yi-Jie Duan Ya-Fei Guo Chun-yuan Qiao yu-ting Wang Jie pu Kai-Xuan Cheng Hui-Ling Wei College of Physics Henan Normal UniversityXinxiang 453007China Institute of Nuclear Science and Technology Henan Academy of SciencesZhengzhou 450015China

Neutron-skin thickness is a key parameter for a neutron-rich nucleus;however,it is difficult to *** the framework of the Lanzhou Quantum Molecular Dynamics(LQMD)model,a possible probe for the neutron-skin thickness(δ_(np))of neutron-rich ^(48)Ca was studied in the 140A MeV ^(48)Ca+^(9)Be projectile fragmentation reaction based on the parallel momentum distribution(p∥)of the residual fragments.A Fermi-type density distribution was employed to initiate the neutron density distributions in the LQMD simulations.A combined Gaussian function with different width parameters for the left side(Γ_(L))and the right side(Γ_(R))in the distribution was used to describe the p∥of the residual *** neutron-rich sulfur isotopes as examples,Γ_(L) shows a sensitive correlation withδ_(np) of ^(48)Ca,and is proposed as a probe for determining the neutron skin thickness of the projectile nucleus.

关键词： Neutron-skin thickness Projectile fragmentation Parallel momentum distribution Neutron-rich nucleus Quantum molecular dynamics model

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Molybdenum and cadmium co-induce necroptosis through Th1/Th2 imbalance-mediated endoplasmic reticulum stress in duck ovaries

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Journal of Environmental Sciences 2024年第8期142卷 92-102页

作者： ting Cui Xueyan Dai Huiling Guo Dianyun Wang Bingyan Huang Wenjing pu Xuesheng Chu Caiying Zhang Jiangxi Provincial Key Laboratory for Animal Health Institute of Animal Population HealthCollege of Animal Science and TechnologyJiangxi Agricultural UniversityNanchang 330045China

Cadmium(Cd)and excess molybdenum(Mo)pose serious threats to animal *** previous study has determined that Cd and/or Mo exposure can cause ovarian damage of ducks,while the specific mechanism is still *** further investigate the toxic mechanism of Cd and Mo co-exposure in the ovary,forty 8-day-old female ducks were randomly allocated into four groups for 16 weeks,and the doses of Cd and Mo in basic diet per kg were as follows:control group,Mo group(100 mg Mo),Cd group(4 mg Cd),and Mo+Cd group(100 mg Mo+4 mg Cd).Cadmium sulfate 8/3-hydrate(CdSO_(4)·8/3H_(2)O)and hexaammonium molybdate((NH_(4))_(6)Mo_(7)O_(24)·4H_(2)O)were the origins of Cd and Mo,*** the 16th week of the experiment,all ovary tissues were collected for the detection of related *** data indicated that Mo and/or Cd induced trace element disorders and Th1/Th2 balance to divert toward Th1 in the ovary,which activated endoplasmic reticulum(ER)stress and then provoked necroptosis through triggering RIPK1/RIPK3/MLKL signaling pathway,and eventually caused ovarian pathological injuries and necroptosis *** alterations of above indicators were most apparent in the joint *** all,this research illustrates that Mo and/or Cd exposure can initiate necroptosis through Th1/Th2 imbalance-modulated ER stress in duck ovaries,and Mo and Cd combined exposure aggravates ovarian *** research explores the molecular mechanism of necroptosis caused by Mo and/or Cd,which reveals that ER stress attenuation may be a therapeutic target to alleviate necroptosis.

关键词： Molybdenum Cadmium Th1/Th2 imbalance Endoplasmic reticulum stress Necroptosis Ovary

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Quantifying Contribution of Recycled Moisture to Precipitation in Temperate Glacier Region,Southeastern Tibetan Plateau,China

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Chinese Geographical Science 2024年第4期34卷 764-776页

作者： MA Yanwei pu Tao SHI Xiaoyi MA Xinggang yu Hongmei College of Geography and Environmental Sciences Zhejiang Normal UniversityJinhua 321004China National Field Science Observation and Research Station of yulong Snow Mountain Cryosphere and Sustainable Development Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China State Key Laboratory of Cryospheric Sciences Northwest Institute of Eco-environment and ResourcesChinese Academy of SciencesLanzhou 730000China

Recycled moisture is an important indicator of the renewal capacity of regional water *** to the existence of yulong Snow Mountain,Lijiang in yunnan Province,southeast of the Qinghai-Tibet Plateau,China,is the closest ocean glacier area to the equator in *** precipitation samples were collected from 2017 to 2018 in Lijiang to quantify the effect of sub-cloud evaporation and recycled moisture on precipitation combined with the d-excess model during monsoon and non-monsoon *** results indicated that the d-excess values of precipitation fluctuated between–35.6‰and 16.0‰,with an arithmetic mean of 3.5‰.The local meteoric water line(LMWL)wasδD=7.91δ^(18)O+2.50,with a slope slightly lower than the global meteoric water line(GMWL).Subcloud evaporation was higher during the non-monsoon season than during the monsoon *** tended to peak in March and was primarily influenced by the relative *** source of the water vapour affected the proportion of recycled *** to the results of the Hybrid Single-Particle Lagrangian Integrated Trajectory(HYSPLIT)model,the main sources of water vapour in Lijiang area during the monsoon period were the southwest and southeast *** the non-monsoon period,water vapour was transported by a southwesterly *** recycled moisture in Lijiang area between March and October 2017 was 10.62%.Large variations were observed between the monsoon and non-monsoon seasons,with values of 5.48%and 25.65%,*** differences were primarily attributed to variations in the advection of water *** recycled moisture has played a supplementary role in the precipitation of Lijiang area.

关键词： recycled moisture stable isotope precipitation d-excess Hybrid Single-Particle Lagrangian Integrated Trajectory(HYSPLIT)model southeastern Tibetan Plateau China

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Population size estimates based on GPS telemetry

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Zoological Research 2024年第1期45卷 36-38页

作者： yu-Xuan Fan pu-Zheng Xie Chi Ma ting Chen Xiao Ye Hua-Lin Xu Qiong Yang Peng-Fei Fan School of Life Sciences Sun Yat-sen UniversityGuangzhouGuangdong 510275China College of Agriculture and Biological Sciences DaliYunnan 671003China Neilingding-Futian National Nature Reserve of Guangdong ShenzhenGuangdong 518040China

DEAR EDITOR,Accurate estimation of population size is a crucial issue in wildlife population ecology and *** Global Positioning System(GPS)collars are well recognized as an effective method for monitoring wildlife behavior,their application in direct wildlife population size estimation remains *** this study,GPS telemetry was employed to survey a rhesus macaque(Macaca mulatta)population on Neilingding Island in Guangdong,*** May 2021 to April 2022,32 macaques across nine groups were fitted with GPS collars,producing a dataset of 109739 location *** data from all tracked individuals revealed the annual home ranges of the nine groups.

关键词： China Island size

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Experimental Study on Towing Characteristics of Composite Bucket Wellhead Platform

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China Ocean Engineering 2024年第3期38卷 531-542页

作者： ZHANG pu-yang LIU Ying-fei LE Cong-huan DING Hong-yan BAI yu State Key Laboratory of Hydraulic Engineering Intelligent Construction and Operation Tianjin UniversityTianjin 300072China

With the rapid development of large-scale development of marginal oilfields in China,simple wellhead platforms that are simple in structure and easy to install have become an inevitable choice in the process of oilfield ***,traditional simple wellhead platforms are often discarded after a single *** pursuit of a more costeffective approach to developing marginal oilfields,this paper proposes a new offshore oil field development facility—an integrated bucket foundation for wellhead *** verify the safety of its towing behavior and obtain the dynamic response characteristics of the structure,this paper takes a bucket integrated bucket foundation for wellhead platform with a diameter of 40 m as the research *** combining physical model tests and numerical simulations,it analyzes the static stability and dynamic response characteristics of the structure during towing,complete with the effects of the draft,wave height,wave period,and towing point height,which produce the dynamic responses of the structure under different influence factors,such as roll angle,pitch angle,heave acceleration and towing force as well as the sensibility to transport *** results show that the integrated bucket foundation for wellhead platform is capable of self-floating towing,and its movement is affected by the local environment,which will provide a reference for actual projects.

关键词： composite bucket foundation wellhead platform air flotation towing model test

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Paeoniflorin,the Main Monomer Component of Paeonia lactiflora,Exhibits Anti-inflammatory Properties in Osteoarthritis Synovial Inflammation

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Chinese Journal of Integrative Medicine 2024年第5期30卷 433-442页

作者： CHEN pu ZHOU Jun RUAN An-min MA yu-feng WANG Qing-fu Department of Orthopaedic Surgery Beijing University of Chinese Medicine Third Affiliated HospitalBeijing 100029China Department of Orthopaedic Surgery Guangdong Provincial Hospital of Chinese MedicineGuangzhou 510120China Department of Orthopaedic Surgery Beijing Longfu HospitalBeijing 100010China

Objective:To explore the mechanism of paeoniflorin(PF)on osteoarthritis(OA)synovial inflammation from network pharmacology to experimental ***:Targets of OA were constructed by detecting the database of network database platforms(Therapeutic Target database,Drug Bank and Gene Cards),and the targets of PF were constructed by pub Chem and Herbal Ingredients'Targets *** Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)analysis of these co-targeted genes were conducted via Database for Annotation,Visualization,and Integrated Discovery(DAVID)database,and protein-protein interaction(PPI)networks were conducted via the search tool for the retrieval of interacting genes(STRING)*** counting kit-8(CCK-8)assay was performed to assess the potential toxicity of PF on human OA fibroblast-like synoviocytes(FLS),quantitative real-time polymerase chain reaction(q PCR),enzyme-linked immunosorbent assay(ELISA)and Western blot were used to verify the potential mechanism of PF in synovial ***:Twenty-six co-targeted genes were *** enrichment results showed that these co-targeted genes were most likely localized in the cytoplasm,and the biological processes mainly involved'cellular response to hypoxia''lipopolysaccharide(LPS)-mediated signaling pathway'and'positive regulation of gene expression'.KEGG pathway analysis indicated that these co-targeted genes may function through pathways associated with'hypoxia-inducible factor-1(HIF-1)signaling pathway'and'tumornecrosis factor(TNF)signaling pathway'.The PPI network showed that the top 3 hub genes were TP53,TNF,and *** docking results showed that PF was well docking with ***-8 showed no potential toxicity of 10,20 and 50μmol/L PF on human OA *** PF significantly decreased the expression levels of interleukin-1β,interleukin-6,TNF-αmatrix metalloproteinase 13(MMP13),and a disintegrin and metalloproteinase with thrombospondin motifs 5(ADAMTS5)and TNF

关键词： paeoniflorin osteoarthritis synovial inflammation tumor necrosis factor-α network pharmacology Paeonia lactiflora

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