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Immobilizing Triphenylamine with Photoredox Inert Sr^(2+)Forming Sr-MOF with Controlled Electron Migration for Photocatalytic Oxidation of Thiols to Disulfides

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Chinese Journal of Chemistry 2024年第10期42卷 1093-1099页

作者： ying-xia Wang Fang Zheng Dong-xia Song Bao-Yue Niu Lu-Qian Deng xian-ming Zhang Key Laboratory of Magnetic Molecules and Magnetic Information Materials(Ministry of Education) Schoolof Chemistry and Materials ScienceShanxi Normal UniversityTaiyuanShanxi 030006China Key Laboratory of Interface Science and Engineering in Advanced Material(Ministry of Education) College of ChemistryTaiyuan University of TechnologyTaiyuanShanxi 030024China

The photocatalytic oxidative coupling of thiols is one of the most popular methods to synthesize the *** and its derivatives(TPAs)are promising for the above reaction,but suffer from the easy polymerization and difficult *** overcome these obstacles while controlling the photogenerated electrons transfer directly to target substrates,herein,we constructed one TPA-based metal-organic framework(MOF),(Me_(2)NH_(2))[Sr(TCBPA)]·DMA·3H_(2)O(1),by direct self-assembly of tris(4′-carboxybiphenyl)amine(H_(3)TCBPA)and photoredox inert strontium ion(Sr^(2+)).DFT calculations revealed that the valence band maximum(VBM)and the conduction band minimum(CBM)are mainly located on TCBPA^(3-),successfully inhibiting the undesirable electron migration to metal *** results indicated that 1 displays superior performance than homogeneous H_(3)TCBPA,which may result from the abundant π…π and C—H…π interactions between the well-arranged TCBPA^(3-)and the build-in electric field between the anionic framework and the Me_(2)NH^(2+).This work highlights that immobilizing TPAs into MOFs is one promising approach to designing heterogeneous photocatalysts for the synthesis of disulfides by oxidative coupling of thiols.

关键词： Triphenylamine Metal-organic frameworks Strontium Photooxidation Thiols Disulfides

A particle-resolved heat-particle-fluid coupling model by DEM-IMB-LBM

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 2267-2281页

作者： ming xia Jinlong Fu Y.T.Feng Fengqiang Gong Jin Yu Hunan Key Laboratory of Geomechanics and Engineering Safety Xiangtan UniversityXiangtan411105China Zienkiewicz Institute for Modelling Data and AISwansea UniversitySwanseaSA18EPUK School of Civil Engineering Southeast UniversityNanjing211189China Fujian Research Center for Tunneling and Urban Underground Space Engineering Huaqiao UniversityXiamen361021China

Multifield coupling is frequently encountered and also an active area of research in geotechnical *** this work,a particle-resolved direct numerical simulation(PR-DNS)technique is extended to simulate particle-fluid interaction problems involving heat transfer at the grain *** this extended technique,an immersed moving boundary(IMB)scheme is used to couple the discrete element method(DEM)and lattice Boltzmann method(LBM),while a recently proposed Dirichlet-type thermal boundary condition is also adapted to account for heat transfer between fluid phase and solid *** resulting DEM-IBM-LBM model is robust to simulate moving curved boundaries with constant temperature in thermal *** facilitate the understanding and implementation of this coupled model for non-isothermal problems,a complete list is given for the conversion of relevant physical variables to lattice ***,benchmark tests,including a single-particle sedimentation and a two-particle drafting-kissing-tumbling(DKT)simulation with heat transfer,are carried out to validate the accuracy of our coupled *** further investigate the role of heat transfer in particle-laden flows,two multiple-particle problems with heat transfer are *** examples demonstrate that the proposed coupling model is a promising high-resolution approach for simulating the heat-particle-fluid coupling at the grain level.

关键词： Particle-fluid interaction Heat transfer Discrete element method(DEM) Lattice Boltzmann method(LBM) Dirichlet-type thermal boundary Direct numerical simulation

Ginsenoside Rd Induces Differentiation of Myeloid Leukemia Cells via Regulating ERK/GSK-3βSignaling Pathway

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Chinese Journal of Integrative Medicine 2024年第7期30卷 588-599页

作者： JIANG Yu-xia ZHAO Yan-na YU xiao-ling yiN Li-ming Department of Hematology Tongde Hospital of Zhejiang ProvinceHangzhou310012China Institute of Hematology Research the First Affiliated Hospital of Zhejiang Chinese Medical University(Zhejiang Provincial Hospital of Chinese Medicine)Hangzhou310006China

Objective To investigate the role of ginsenoside Rd(GRd)in acute myeloid leukemia(AML)cell *** AML cells were treated with GRd(25,50,100 and 200µg/mL),retinoic acid(RA,0.1g/L)and PD98059(20 mg/mL)for 72 h,cell survival was detected by methylthiazolyldiphenyl-tetrazolium bromide and colony formation assays,and cell cycle was detected by flow *** morphology and differentiation were observed by Wright-Giemsa staining,peroxidase chemical staining and cellular immunochemistry assay,*** protein expression levels of GATA binding protein 1(GATA-1),purine rich Box-1(PU.1),phosphorylated-extracellular signal-related kinase(p-ERK),ERK,phosphorylated-glycogen synthase kinase-3β(p-GSK3β),GSK3βand signal transducer and activator of transcription 1(STAT1)were detected by Western ***-six mice were randomly divided into 3 groups using a random number table:model control group(non-treated),GRd group[treated with 200 mg/(kg·d)GRd]and homoharringtonine(HTT)group[treated with 1 mg/(kg·d)HTT].A tumor-bearing nude mouse model was established,and tumor weight and volume were *** of subcutaneous tumor tissue were observed after hematoxylin and eosin ***1 and GATA-1 expressions were detected by immunohistochemical *** The cell survival was inhibited by GRd in a dose-dependent manner and GRd caused G0/G1 cell arrest(p<0.05).GRd treatment induced leukemia cell differentiation,showing increased expressions of peroxidase and specific proteins concerning erythrogenic or granulocytic differentiation(p<0.05).GRd treatment elicited upregulation of p-ERK,p-GSK-3βand STAT1 expressions in cells,and reversed the effects of PD98059 on inhibiting the expressions of peroxidase,GATA-1 and PU.1(P<0.05).After GRd treatment,tumor weight and volume of mice were decreased,and tumor cells underwent massive apoptosis and necrosis(P<0.05).WT1 level was decreased,and GATA-1 level was significantly increased in subcutaneous tumor ti

关键词： ginsenoside Rd myeloid leukemia survival differentiation extracellular signal-related kinase signaling pathway

Drug-Target Interactions Prediction Based on Signed Heterogeneous Graph Neural Networks

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Chinese Journal of Electronics 2024年第1期33卷 231-244页

作者： ming CHEN Yajian JIANG Xiujuan LEI yi PAN Chunyan JI Wei JIANG College of Information Science and Engineering Hunan Normal University School of Computer Science Shaanxi Normal University Faculty of Computer Science and Control Engineering Shenzhen Institute of Advanced TechnologyChinese Academy of Sciences Computer Science Department BNU-HKBU United International College

Drug-target interactions(DTIs) prediction plays an important role in the process of drug *** computational methods treat it as a binary prediction problem, determining whether there are connections between drugs and targets while ignoring relational types information. Considering the positive or negative effects of DTIs will facilitate the study on comprehensive mechanisms of multiple drugs on a common target, in this work, we model DTIs on signed heterogeneous networks, through categorizing interaction patterns of DTIs and additionally extracting interactions within drug pairs and target protein pairs. We propose signed heterogeneous graph neural networks(SHGNNs), further put forward an end-to-end framework for signed DTIs prediction, called SHGNN-DTI,which not only adapts to signed bipartite networks, but also could naturally incorporate auxiliary information from drug-drug interactions(DDIs) and protein-protein interactions(PPIs). For the framework, we solve the message passing and aggregation problem on signed DTI networks, and consider different training modes on the whole networks consisting of DTIs, DDIs and PPIs. Experiments are conducted on two datasets extracted from Drug Bank and related databases, under different settings of initial inputs, embedding dimensions and training modes. The prediction results show excellent performance in terms of metric indicators, and the feasibility is further verified by the case study with two drugs on breast cancer.

关键词： Drugs Training Proteins Measurement Message passing Prediction methods Graph neural networks

Hierarchical Controller Synthesis Under Linear Temporal Logic Specifications Using Dynamic Quantization

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IEEE/CAA Journal of Automatica Sinica 2024年第10期11卷 2082-2098页

作者： Wei Ren Zhuo-Rui Pan Weiguo xia Xi-ming Sun the Key Laboratory of Intelligent Control and Optimization for Industrial Equipment of Ministry of Education Dalian University of Technology the School of Control Science and Engineering Dalian University of TechnologyDalian 116024China

Linear temporal logic(LTL)is an intuitive and expressive language to specify complex control tasks,and how to design an efficient control strategy for LTL specification is still a *** this paper,we implement the dynamic quantization technique to propose a novel hierarchical control strategy for nonlinear control systems under LTL *** on the regions of interest involved in the LTL formula,an accepting path is derived first to provide a high-level solution for the controller synthesis ***,we develop a dynamic quantization based approach to verify the realization of the accepting *** realization verification results in the necessity of the controller design and a sequence of quantization regions for the controller ***,the techniques of dynamic quantization and abstraction-based control are combined together to establish the local-to-global control *** abstraction construction and controller design are local and dynamic,thereby resulting in the potential reduction of the computational *** each quantization region can be considered locally and individually,the proposed hierarchical mechanism is more efficient and can solve much larger problems than many existing ***,the proposed control strategy is illustrated via two examples from the path planning and tracking problems of mobile robots.

关键词： Abstraction-based control design dynamic quantization formal methods linear temporal logic(LTL)

Selective deposition of a MOF at the spikes of Au nanostars for SERS detection

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Nano Research 2024年第10期17卷 9166-9173页

作者： yi Liu Ka Kit Chui Xinyue xia Han Zhang xiaolu Zhuo Jianfang Wang School of Science and Engineering The Chinese University of Hong KongShenzhen 518172China Department of Physics The Chinese University of Hong KongShatinHong Kong 999077China School of Materials Science and Engineering Zhejiang Sci-Tech UniversityHangzhou 310000China

In the pursuit of advancing molecular sensing through surface-enhanced Raman spectroscopy(SERS),the combination of plasmonic nanoparticles and metal-organic frameworks(MOFs)has emerged as a highly effective approach to enhance the sensitivity and selectivity of SERS ***,most prior investigations have predominantly focused on MOF-coated plasmonic nanoparticles in core@shell or layer-by-layer configurations,leaving a notable knowledge gap in exploring alternative *** we present a facile method to construct a particle-on-mirror architecture by selectively coating a MOF,zeolitic imidazolate framework-8(ZIF-8),onto the tips of Au nanostars and subsequently depositing the resultant nanoparticles onto a Au *** design integrates the electric field enhancement at the sharp tips and nanogaps,along with the molecular enrichment function within the porous MOF immobilized at the tips and nanogaps,leading to a substantial boost in the SERS signal *** a unique SERS platform enables consistent and outstanding SERS performance for analytes of different *** work opens up a promising strategy for constructing multifunctional nanostructures for sensitive SERS detection in real-life scenarios.

关键词： electric field enhancement gold nanostars metal-organic frameworks molecular enrichment plasmon coupling surfaceenhanced Raman spectroscopy(SERS)substrates

Deployment optimization for target perpetual coverage in energy harvesting wireless sensor network

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Digital Communications and Networks 2024年第2期10卷 498-508页

作者： Zhenkun Jin yixuan Geng Chenlu Zhu Yunzhi xia xianjun Deng Lingzhi yi xianlan Wang Wuhan Business University 430056China Wuhan Research Institute of Post and Telecommunication Wuhan430074China Hubei Key Laboratory of Distributed System Security Hubei Engineering Research Center on Big Data SecuritySchool of Cyber Science and EngineeringHuazhong University of Science and TechnologyWuhan430074China Hubei Chutian Expressway Digital Technology Co.Ltd Wuhan430074China School of Information and Safety Engineering Zhongnan University of Economics and LawWuhan430073China

Energy limitation of traditional Wireless Sensor Networks(WSNs)greatly confines the network lifetime due to generating and processing massive sensing data with a limited *** energy harvesting WSN is a novel network architecture to address the limitation of traditional ***,existing coverage and deployment schemes neglect the environmental correlation of sensor nodes and external energy with respect to physical *** considering the spatial correlation of the environment and the uneven distribution of energy in energy harvesting WSN,we investigate how to deploy a collection of sensor nodes to save the deployment cost while ensuring the target perpetual *** Confident Information Coverage(CIC)model is adopted to formulate the CIC Minimum Deployment Cost Target Perpetual Coverage(CICMTP)problem to minimize the deployed sensor *** the CICMTP is NP-hard,we devise two approximation algorithms named Local Greedy Threshold Algorithm based on CIC(LGTA-CIC)and Overall Greedy Search Algorithm based on CIC(OGSA-CIC).The LGTA-CIC has a low time complexity and the OGSA-CIC has a better approximation *** simulation results demonstrate that the OGSA-CIC is able to achieve lower deployment cost and the performance of the proposed algorithms outperforms GRNP,TPNP and EENP algorithms.

关键词： Energy harvesting WSN Deployment optimization Confident information coverage(CIC) Target perpetual coverage

Near real-time gravitational wave data analysis of the massive black hole binary with TianQin

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Science China(Physics,Mechanics & Astronomy) 2024年第7期67卷 175-186页

作者： Hong-Yu Chen xiang-Yu Lyu En-Kun Li yi-ming Hu MOE Key Laboratory of TianQin Mission TianQin Research Center for Gravitational Physics&School of Physics and AstronomyFrontiers Science Center for TianQinGravitational Wave Research Center of CNSASun Yat-sen University(Zhuhai Campus)Zhuhai 519082China

Space-borne gravitational wave(GW)detectors can detect the merger of massive black *** early warning and localization of GW events before merging can be used to inform electromagnetic telescopes and conduct multimessenger ***,this requires real-time data transmission and analysis *** geocentric orbit of the space-borne GW detector Tian Qin makes it possible to conduct real-time data *** this study,we develop a search and localization pipeline for massive black hole binaries(MBHBs)with Tian Qin under both regular and real-time data transmission *** demonstrate that,with real-time data transmission,MBHBs can be accurately localized on the *** the approaching merger,each analysis can be finished in only 40 *** an MBHB system at a distance of 1 Gpc,if we receive data every hour,then we can pinpoint its location to within less than 1 deg^(2)on the final day before the merger.

关键词： gravitational wave detectors and experiments black holes data analysis algorithms and implementation data management

Disposal of zinc extraction residues via iron ore sintering process:an innovative resource utilization

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Journal of Iron and Steel Research International 2024年第7期31卷 1636-1645页

作者： Chun-long Fan Cheng-yi Ding Tao Yang Yun-fei Luo yi-fan Wang Qian Li Hong-ming Long School of Metallurgical Engineering Anhui University of TechnologyMa'anshan 243002AnhuiChina Zhongye Changtian International Engineering Co. Ltd.Changsha 410205HunanChina Key Laboratory of Metallurgical Emission Reduction and Resources Recycling(Ministry of Education) Anhui University of TechnologyMa'anshan 243002AnhuiChina

Zinc extraction residue,a solid waste generated from the treatment of zinc-containing dust in rotary kilns,is commonly stockpiled in steel companies for extended *** poses significant disposal challenges and environmental pollution *** far,research on the treatment of zinc extraction residues has been slow,inadequate,and *** this gap,a novel approach was proposed to effectively treat the zinc extraction residue via the iron ore sintering *** was feasible to add 1 wt.%of zinc extraction residues to the sintering raw *** more adequate mineralization reaction resulted in higher yield and tumbler indexes,despite a slight decrease in sintering *** this may result in a slight decrease in sintering speed,the more complete mineralization reaction leads to improved sintering yield and tumbler ***,the addition of zinc extraction residues reduced the CO and NO_(x) concentrations in the sintering flue ***,the iron ore sintering process provided a viable solution for resource utilization and environmentally friendly treatment of zinc extraction residues.

关键词： Zinc extraction residue Iron ore sintering Co-processing Waste utilization Gas pollutant reduction