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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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Paclitaxel-lipid prodrug liposomes for improved drug delivery and breast carcinoma therapy

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Chinese Chemical Letters 2024年第2期35卷 335-340页

作者： xin wu xinmei Chen xinyu Wang Haisheng He Jianming Chen Wei wu Key Laboratory of Smart Drug Delivery of MOE School of PharmacyFudan UniversityShanghai 201203China Department of Pharmacy Fujian University of Traditional Chinese MedicineFuzhou 350122China Shanghai Wei Er Lab Shanghai 201707China Shanghai Skin Disease Hospital Tongji University School of MedicineShanghai 200443China

Paclitaxel(PTX)is widely applied for the treatment of unresectable and metastasis breast carcinoma as well as other cancers,whereas its efficacy is always impeded by poor *** are one kind of the most successful drug carriers which are capable of solubilizing PTX and improving patients’tolerance owing to excellent biocompatibility and ***,poor compatibility between PTX and liposomes compromises the stability,drug loading and anti-tumor capacity of liposomal *** address this issue,three lipids with various chain lengths,namely,myristic acid(MA,14C),palmitic acid(PA,16C)and stearic acid(SA,18C),were conjugated to PTX via ester bonds and the synthesized prodrugs with high lipophilicity were further formulated into liposomes,*** liposomes show high stability and drug loadings,as well as sustained drug *** chain lengths of lipids are negatively correlated with drug release and enzymatic conversion rates,which further impact the pharmacokinetics,tumor accumulation,and anti-tumor efficacy of liposomal *** rapid nor slow drug release facilitates high tumor accumulation as well as anti-tumor efficacy of *** all liposomes,PTX-PA-loaded liposomes show the longest circulation and highest tumor accumulation of PTX and exert the most potent anti-tumor capacities in vivo,owing to its moderate drug release and enzymatic conversion *** its superior safety,PTX-PA liposomes hold potential for further clinical translation.

关键词： Paclitaxel Lipids Prodrugs Liposomes Drug release Chemotherapy

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An Approach for Human Posture Recognition Based on the Fusion PSE-CNN-BiGRU Model

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Computer Modeling in Engineering & Sciences 2024年第7期140卷 385-408页

作者： Xianghong Cao xinyu Wang xin Geng Donghui wu Houru An School of Building and Environment Engineering Zhengzhou University of Light IndustryZhengzhou450000China

This study proposes a pose estimation-convolutional neural network-bidirectional gated recurrent unit(PSECNN-BiGRU)fusion model for human posture recognition to address low accuracy issues in abnormal posture recognition due to the loss of some feature information and the deterioration of comprehensive performance in model detection in complex home ***,the deep convolutional network is integrated with the Mediapipe framework to extract high-precision,multi-dimensional information from the key points of the human skeleton,thereby obtaining a human posture feature ***,a double-layer BiGRU algorithm is utilized to extract multi-layer,bidirectional temporal features from the human posture feature set,and a CNN network with an exponential linear unit(ELU)activation function is adopted to perform deep convolution of the feature map to extract the spatial feature of the human ***,a squeeze and excitation networks(SENet)module is introduced to adaptively learn the importance weights of each channel,enhancing the network’s focus on important ***,comparative experiments are performed on available datasets,including the public human activity recognition using smartphone dataset(UCIHAR),the public human activity recognition 70 plus dataset(HAR70PLUS),and the independently developed home abnormal behavior recognition dataset(HABRD)created by the authors’*** results show that the average accuracy of the proposed PSE-CNN-BiGRU fusion model for human posture recognition is 99.56%,89.42%,and 98.90%,respectively,which are 5.24%,5.83%,and 3.19%higher than the average accuracy of the five models proposed in the comparative literature,including CNN,GRU,and *** F1-score for abnormal posture recognition reaches 98.84%(heartache),97.18%(fall),99.6%(bellyache),and 98.27%(climbing)on the self-builtHABRDdataset,thus verifying the effectiveness,generalization,and robustness of the proposed model in enhancing human posture rec

关键词： Posture recognition mediapipe BiGRU CNN ELU attention

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Minimum effective local anesthetic dose of intrathecal hyperbaric ropivacaine and bupivacaine for cesarean section

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Chinese Medical Journal 2011年第4期124卷 509-513页

作者： GENG Zhi-yu WANG Dong-xin wu xin-min Department of Anesthesiology and Surgical Intensive Care Peking University First Hospital Beijing 100034 China

Background Intrathecal anesthesia is commonly used for cesarean section. Bupivacaine and ropivacaine have all been used as intrathecal drugs. The minimum effective local anesthetic dose （MLAD） of intrathecal ropivacaine for nonobstetric patients has been reported. However, few data are available on the MLAD of hyperbaric ropivacine for obstetric patients and the relative potency to bupivacaine has not been fully determined. In this study, we sought to determine the MLAD of intrathecal ropivacaine and bupivacaine for elective cesarean section and to define their relative potency *** We enrolled forty parturients undergoing elective cesarean section under combined spinal-epidural anesthesia and randomized them to one of two groups to receive intrathecal 0.5% hyperbaric ropivacaine or *** initial dose was 10 mg, and was increased in increments of 1 mg, using the technique of up-down sequential allocation. Efficacy was accepted if adequate sensory dermatomal anesthesia to pin prick to T7 or higher was attained within 20 minutes after intrathecal injection, and required no supplementary epidural injection for procedure until at least 50 minutes after the intrathecal *** The intrathecal MLAD was 9.45 mg （95%confidence interval （CI）, 8.45-10.56 mg） for ropivacaine and 7.53 mg （95%CI, 7.00-8.10 mg） for bupivacaine. The relative potency ratio was 0.80 （95% Cl, 0.74-0.85） for ropivacaine/bupivacaine when given intrathecally in cesarean *** Ropivacaine is 20% less potent than bupivacaine during intrathecal anesthesia for cesarean delivery.

关键词： anesthesia, obstetric, cesarean section anesthetics local, ropivacaine anesthetic technique,subarachnoid dose-response relationship

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New food sources and production systems:a comparison of international regulations and China’s advancements in novel foods with synthetic biology

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Food Science and Human Wellness 2024年第5期13卷 2519-2542页

作者： xin Liu Di wu Yi Shao Yongning wu Key Laboratory for Deep Processing of Major Grain and Oil(The Chinese Ministry of Education) College of Food Science and EngineeringWuhan Polytechnic UniversityWuhan 430023China Institute for Global Food Security School of Biological SciencesBelfast B795DLUnited Kingdom NHC Key Laboratory of Food Safety Risk Assessment China National Center for Food Safety Risk AssessmentBeijing 100021China Department of Nutrition and Food Safety Peking Union Medical CollegeResearch Unit of Food SafetyChinese Academy of Medical SciencesBeijing 100021China

The global shift towards sustainable food systems has sparked innovations in food sources and production systems,including cell-based meat,plant-based food products,precision fermentation,and 3D food *** advancements pose regulatory challenges and opportunities,with China emerging as a critical player in adopting and regulating new food *** review explores the international landscape of new food sources and production systems(NFPS),focusing on China’s role and regulatory approaches compared to global *** this comparative analysis,we aim to contribute to the ongoing dialogue on food safety regulation,offering insights and recommendations for policymakers,industry stakeholders,and researchers engaged in the global food system’s *** comprehensive overview underscores the dynamic nature of regulatory frameworks governing NFPS,highlighting the international efforts to ensure food safety,consumer protection,and the sustainable evolution of the food industry.

关键词： New food sources Food production system Food safety International regulation Synthetic biology China

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Nonreciprocal generation of Schrodinger cat state induced by topology

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Science China(Physics,Mechanics & Astronomy) 2024年第4期67卷 23-30页

作者： Zi-Hao Li Li-Li Zheng Ying wu xin-You Lü School of Physics and Institute for Quantum Science and Engineering Huazhong University of Science and Technologyand Wuhan Institute of Quantum TechnologyWuhan 430074China Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education Jianghan UniversityWuhan 430074China

The Schrodinger cat state produced differently in two directions is anticipated to be a critical quantum resource in quantum information *** exploring the interplay between quantum nonreciprocity and topology in a one-dimensional microcavity array,we obtain the Schrodinger cat state(a pure quantum state)in a chosen direction at the edge cavity,whereas a classical state in the other *** nonreciprocal generation of the cat state originates from the topologically protected chiralitymode excitation in the nontrivial phase,but in the trivial phase,the nonreciprocal generation of cat state ***,our proposal is switchable by tuning the parameters so that a topological phase transition ***,the obtained cat state has nonreciprocal high fidelity,nonclassicality,and quantum coherence,which are sufficient to be used in various one-way quantum technologies,e.g.,invisible quantum sensing,noise-tolerant quantum computing,and chiral quantum *** work provides a general approach to control quantum nonreciprocities with the topological effect,which substantially broadens the fields of nonreciprocal photonics and topological physics.

关键词： Schr?dinger cat state nonreciprocity topology

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Effect of proppant sizes and injection modes on proppant transportation and distribution in the tortuous fracture model

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Particuology 2024年第1期84卷 261-280页

作者： Jun Li Xu Han Siyuan He Mingyi wu xin Huang Nianyin Li State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Southwest Petroleum UniversityChengdu610500China Chongqing Industry Polytechnic College Chongqing401120China Sichuan Particles Energy and Technology Co. LtdChengdu611630China Engineering Technology Research Institute of PetroChina Southwest Oil and Gas Field Company Chengdu610017China

Particle-fluid transport and placement mechanism in tortuous fracture played a crucial role in uncon-ventional ***,most studies focused on mono-size proppant with fluid transport pro-cesses in tortuous ***,the mixture-size proppant with fluid movement mechanism in tortuous fracture was still ***,this study designed and applied a series of experiments with a physical analog model of a tortuous fracture with 120°and 90°-angled bends and combined high-speed camera-based *** experimental system was used to track different-mixture-sized proppant particle motion trajectories for a series of proppant injection schemes;The following conclu-sions were drawn from this study:*** pile-up processes mechanism in all investigated schemes were similar and could be reduced to four main *** packing structure at both sides of the fracture wall had different variation rates,which were controlled by the mix ratio(change from 1∶1-1∶5)of proppant *** new packing patterns,such as Zebra Stripe,had occurred,controlled by the different proppant injection ***-sized mono-proppant(30/50 mesh)had the highest transport efficiency in the tortuous fracture,followed by the mixed-sized multi-proppant(10/20 mesh:30/50 mesh),large-sized proppant(10/20 mesh)was the *** optimized alternating in-jection mode was recommended as injecting small-sized proppant first(30/50 mesh)and followed by mixed-sized multi-proppant(10/20 mesh:30/50 mesh),which could contribute to obtaining the optimal both proppant packing height and travel distance in tortuous *** correlations were devel-oped for predicting the proppant packing height and transportation distance.

关键词： Tortuous fracture model Mixed-sized proppant Multi-sized proppant injection mode Proppant motion and distribution Packing mechanism

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Effect of turbulent fluctuation on the ignition of millimeter particle:Experimental studies and numerical modelling with a new correlation of nusselt number Author links open overlay panel

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Particuology 2024年第8期91卷 168-175页

作者： Lele Feng Jie Liu Haihui xin Liangliang Jiang Yuxin wu Saeideh Babaee Jiangsu Key Laboratory of Coal-based Greenhouse Gas Control and Utilization China University of Mining and TechnologyXuzhou221008China School of Safety Engineering China University of Mining and TechnologyXuzhou221116China Key Laboratory of Hubei Province for Coal Conversion and New Carbon Materials Wuhan University of Science and TechnologyWuhan430000China Department of Chemical and Petroleum Engineering University of CalgaryCalgaryAlbertaCanada Department of Energy and Power Engineering Tsinghua UniversityBeijing100084China Department of Chemical and Metallurgical Engineering University of the WitwatersrandJohannesburgSouth Africa

Understanding the influencing mechanism of turbulent fluctuation on the ignition characteristics of millimeter coal particles is *** this work,to study the effect of turbulent fluctuation on ignition time,millimeter coal particles are subjected to a specific flow field,generated in a furnace with symmetric fans.A one-dimensional model with the new proposed correlation and the Ranz-Marshall(R-M)correlation for Nu(Nusselt number)is established to simulate the coal ignition *** addition,the effects of fan speed,temperature,particle diameter,particle distance and coal type on the ignition time are *** is found that an increase in fan speed from 0 to 3000 rpm leads to a particle Reynolds number Re_(p)increase from 0 to 22.5,and a turbulent particle Reynolds number Re_(t)*increase from 0 to *** a consideration of the fluctuation effect,the new correlation of Nu gives a better prediction of ignition time compared to the R-M ***,the ignition time is revealed to decrease with an increasing fan speed and an elevating *** the ignition time shows merely an initial boost with enlarging particle distance,it exhibits a linearity with the term of particle diameter dp1.3-1.7 and Reynolds numbers(Nu*/Nu)-0.6(Nu*is turbulent Nusselt number).Based on this relationship,the difference of predicted ignition time is calculated at different Re_(p)and Re_(t)*.It is shown that at low Re_(p)or high Re_(t)*values,the new correlation should substitute for the R-M correlation.

关键词： Turbulent fluctuation Particle heat transfer Empirical correlation Coal ignition

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Hole mobility enhancement in monolayer WSe2 p-type transistors through molecular doping

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Science China(Information Sciences) 2024年第6期67卷 207-213页

作者： Shiyuan LIU Xiong XIONG xin WANG xinhang SHI Ru HUANG Yanqing wu School of Integrated Circuits and Beijing Advanced Innovation Center for Integrated Circuits Peking University wuhan National High Magnetic Field Center and School of Integrated Circuits Huazhong University of Science and Technology

Two-dimensional （2D） transition metal dichalcogenide （TMDC） semiconductor materials exhibit extraordinary electrical properties,holding promise for the realization of next-generation complementary metal-oxide-semiconductor （CMOS） devices at ultimate ***,constrained by effective device doping strategies,the hole mobility and device performance of tungsten diselenide （WSe2） p-type transistors,especially monolayer chemical vapor deposition （CVD）-grown WSe2,have not met *** this paper,an effective performance enhancement of monolayer WSe2p-type transistor was achieved through a molecular doping *** monolayer WSe2directly on SiO2back-gated substrates and leveraging energy band alignment design,4-nitrobenzenediazonium tetrafluoroborate （4-NBD） molecular dopant with a concentration of 10 m M was utilized to modulate the Fermi level position of monolayer WSe2for hole *** devices demonstrated a more than 98%increase in hole mobility,reaching up to 97 cm2·V-1·s-1while maintaining the current on/off ratio of *** p-type WSe2transistors with 1μm channel length exhibit a high drive current surpassing 176μA·μm-1,exceeding previous CVD-WSe2devices with similar channel *** straightforward and effective approach to improving the electrical performance of WSe2transistors paves the way for advanced logic technologies based on transition metal dichalcogenide semiconductors.

关键词： CVD-grown WSe$_2$ molecular doping 4-NBD p-type transistors hole mobility

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High-throughput calculation-based rational design of Fe-doped MoS_(2) nanosheets for electrocatalytic p H-universal overall water splitting

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Journal of Energy Chemistry 2024年第4期91卷 194-202页

作者： Guangtong Hai Xiangdong Xue Zhenyu wu Canyang Zhang xin Liu Xiubing Huang Institute of Zhejiang University-Quzhou Zhejiang UniversityQuzhou 324000ZhejiangChina Beijing Key Laboratory of Membrane Materials and Engineering Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory of Function Materials for Molecule&Structure ConstructionSchool of Materials Science and EngineeringUniversity of Science and TechnologyBeijing 100083China CentreÉnergie Matériaux et Télécommunications(EMT) Institut national de la recherche scientifique(INRS)Varennes J3X1P7QuébecCanada

Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation *** to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and *** assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral *** results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.

关键词： High-throughput calculation Overall water splitting Single atom doped catalyst Molybdenum disulfide nanosheet

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