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National Science Review 2024年第5期11卷 96-98页

作者： Zhexuan Lei Jie wu Department of Chemistry National University of Singapore

The selective functionalization of C（sp3）–H bonds with subtle differences in alkanes is highly sought after due to its atom-and step-efficiency. The activation of C（sp3）–H bonds through hydrogen atom transfer （HAT） has been extensively exploited to produce a valueadded product from unfunctionalized material [1,2].

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BSIN: A Behavior Schema of Information Networks Based on Approximate Bisimulation

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Tsinghua Science and Technology 2024年第4期29卷 1092-1104页

作者： wujie Hu Jinzhao wu School of Electrical Engineering Guangxi UniversityNanning 530004China

Information networks are becoming increasingly important in practice. However, their escalating complexity is gradually impeding the efficiency of data mining. A novel network schema called the Behavior Schema of Information Networks (BSIN) is proposed to address this issue. This work defines the behavior of nodes as connected paths in BSIN, proposes a novel function distinguish behavior differences, and introduces approximate bisimulation into the acquisition of quotient sets for node types. The major highlight of BSIN is its ability to directly obtain a high-efficiency network on the basis of approximate bisimulation, rather than reducing the existing information network. It provides an effective representation of information networks, and the resulting novel network has a simple structure that more efficiently expresses semantic information than current network representations. The theoretical analysis of the connected paths between the original and the obtained networks demonstrates that errors are controllable;and semantic information is approximately retained. Case studies show that BSIN yields a simple network and is highly cost-effective.

关键词： data mining information network approximate bisimulation controllable error

Benzoyl cyanide, a general radical acylating reagent for photoredox-catalyzed benzylic site-selective acylation reactions

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Science China Chemistry 2024年第11期67卷 3833-3843页

作者： Zhaodong Zhu Jingjing wu Frontiers Science Center for Transformative Molecules Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Chemistry and Chemical Engineering Zhangjiang Institute for Advanced Study Shanghai Jiao Tong University

Based on rational design, benzoyl cyanide, a well-known ionic acylating reagent, has been developed as a general radical acylating reagent for benzylic site-selective acylation reactions for the first time. Using visible-light photoredox-catalyzed single electron transfer(SET) and hydrogen atom transfer(HAT) strategies, two different direct benzylic C–H acylation reactions with high atom economy have been developed. This newly developed radical acylating reagent could also be used to achieve three component acyltrifluoromethylation of styrenes, which is usually challenging to achieve by other means. All of these reactions proceed under mild nickel-free and NHC-free conditions with high functional group tolerance. In addition, based on our detailed mechanistic experiments, the process of radical-radical cross-coupling mechanism was suggested for these transformations.

关键词： photoredox catalysis benzylic C–H acylation radical acylating reagent HAT catalysis acyltrifluoromethylation

3D simulation of image-defined complex internal features using the numerical manifold method

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Science China(Technological Sciences) 2024年第4期67卷 1023-1039页

作者： wu Jie MA GuoWei School of Civil and Transportation Engineering Hebei University of TechnologyTianjin 300401China Tianjin Key Laboratory for Prefabricated Building and Intelligent Construction Tianjin 300401China

The numerical simulation of internal features,such as inclusions and voids,is important to analyze their impact on the performance of composite ***,the complex geometries of internal features and the induced continuous-discontinuous(C-D)deformation fields are challenges to their numerical *** this study,a 3D approach using a simple mesh to simulate irregular internal geometries is developed for the first *** the help of a developed voxel crack model,image models that are efficient when recording complex geometries are directly imported into the *** reconstructions,which are usually labor-intensive,are excluded from this ***,using image models as the geometric input,image processing techniques are applied to detect material interfaces and develop contact ***,the C-D deformations of the complex internal features are directly calculated based on the numerical manifold *** accuracy and convergence of the developed3D approach are examined based on multiple *** 3D C-D simulation of sandstones with naturally formed complex microfeatures demonstrates the capability of the developed approach.

关键词： 3D continuous-discontinuous simulation image-based simulation complex internal features numerical manifold method voxel crack model structured mesh

Geometric approach to robust quantum control for time-varying noises

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Science China(Physics,Mechanics & Astronomy) 2024年第9期67卷 197-198页

作者： Rebing wu Center for Intelligent and Networked Systems Department of AutomationTsinghua UniversityBeijing 100084China

Quantum technologies are expected to revolutionze modern information processing *** all quntum technologies demand high-precision control of quantum ***,maintaining the high-precision against noises is rather difficult[1].This requirement calls for robust control pulse design that is insensitive to *** practical implementation,the control pulses need to be smoothly shaped and be able to tackle parametric uncertainties or time-varying noises with complicated frequency characteristics.

关键词： quantum smoothly shaped

Elucidating and manipulating pressure-induced water intrusion–extrusion in tunable hydrophobic Co/Zn bimetallic ZIFs:Roles of pore size and hydrogen bond

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Nano Research 2024年第1期17卷 344-353页

作者： Diyi Fang Chuanlei Liu Yu Chen Qilong Peng Kongguo wu Yuxiang Chen Hao Jiang Yuan wu Benxian Shen Qiumin wu Di wu Hui Sun International Joint Research Center of Green Energy Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China Alexandra Navrotsky Institute for Experimental Thermodynamics The Gene and Linda Voiland School of Chemical Engineering and BioengineeringMaterials Science and Engineeringand Department of ChemistryWashington State UniversityWashington 99163USA

Porous heterogeneous lyophobic systems(HLSs)find potential applications in energy restoring,dissipating,and ***,the development of controllable HLSs still lacks rational structure design of nanoporous materials matching the molecular sizes of adopted *** that,thoroughly understanding the underlying transportation mechanism in the confined nano channels is greatly *** this work,a series of Co/Zn bimetallic zeolitic imidazolate frameworks(ZIFs)with tunable structures were synthesized via regulating the Co to Zn ratios and employed to investigate the intrusion–extrusion of liquid water in confined *** characterizations confirm the heterometallic coordination in the Co/Zn-doped *** intrusion–extrusion experiments unlock the relationship between the intrusion pressure and the nanopore size and realize the evolution of the HLSs between molecular spring and *** addition,cycling tests indicate the reversible structure change of Co/Zn ZIFs encountering pressure-induced water *** combination with molecular dynamics simulations,we present that the water multimers intrude into nanopores of ZIFs in chain-like forms along with dissociation of hydrogen bonds(HBs).Water molecules in the pre-intrusion state exhibit reduced HBs in response to the increase of pressure and linear structure with 1.6–3.0 HBs on *** transition to the post-intrusion situation,the associative configuration of water tends to exhibit the tetrahedral ***,we highlight the roles of pore size and HB in synergically dominating the pressure-induced intrusion–extrusion of liquid water in hydrophobic ***,the present work can also guide the development of functional guest–host systems based on porous architectures.

关键词： heterometallic zeolitic imidazolate frameworks nanopore intrusion hydrogen bonds

Safety-Critical Trajectory Tracking for Mobile Robots With Guaranteed Performance

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IEEE/CAA Journal of Automatica Sinica 2024年第9期11卷 2033-2035页

作者： Wentao wu Di wu Yibo Zhang Shukang Chen Weidong Zhang Department of Automation Shanghai Jiao Tong UniversityShanghai 200240China Department of Information and Communication Engineering Hainan UniversityHaikou 570288China

Dear Editor,This letter considers a collision-free trajectory tracking problem for performance-guaranteed mobile robots(MRs)subject to *** propose a safety-critical performance-guaranteed trajectory tracking method based on control barrier functions(CBFs).First,an auxiliary system is established to generate the non-negative signals for inflexible bounds such that the performance constraints are not violated when avoiding obstacles.

关键词： constraints bounds collision

Numerical simulation of fluid-thermal-structural coupling characteristics of stratospheric non-rigid airship

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Chinese Journal of Aeronautics 2024年第9期37卷 224-236页

作者： Huafei DU Mingyun LYU Chuan YU Yifei wu Yongmei wu Kangwen SUN School of Aeronautic Science and Engineering Beihang UniversityBeijing 100191China Linzhou(Ningbo)Technology Co.Ltd Yuyao 315042China

The voluminous stratospheric non-rigid airship is very sensitive to the external thermal *** temperature change of internal gas caused by the variation in the external ther-mal environment and wind speed will lead to a change in the shape and buoyancy of the airship,thereby affecting its flight *** traditional static analysis method is difficult to accurately reflect this fuid-thermal-structural coupling *** this paper,the iterative analysis method was established for the fluid-thermal-structural coupling effect of stratospheric non-rigid airship based on the models of fluid,thermal,and structural *** the load such as the internal thermal effect and external flow field of the airship,the simulation of the thermo-induced structural deformation effect was conducted using Fluent and Abaqus *** influ-ence of local time and external wind speed on the structural deformation,volume,and equilibrium altitude of the airship was *** results demonstrate that,at low wind speed,the influence of aerodynamic pressure on the deformation of the airship is ***,a great amount of heat is carried away by the wind,then the structural deformation caused by internal and external pressure difference is alleviated and the equilibrium altitude of the airship change *** can serve as a guideline for the design and flight test of the long-endurance stratospheric non-rigid airship.

关键词： Altitude change Fluid-thermal-structural coupling Stratospheric non-rigid airship Structural deformation Wind speed

Flotation separation of scheelite from calcite using luteolin as a novel depressant

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International Journal of Minerals,Metallurgy and Materials 2024年第3期31卷 462-472页

作者： Xiaokang Li Ying Zhang Haiyang He Yu wu Danyu wu Zhenhao Guan Faculty of Land and Resources Engineering Kunming University of Science and TechnologyKunming 650093China State Key Laboratory of Clean Utilization of Complex Non-Ferrous Metal Resources Kunming University of Science and TechnologyKunming 650093China

This paper proposes luteolin(LUT)as a novel depressant for the flotation-based separation of scheelite and calcite in a sodium oleate(NaOL)*** suitability of LUT as a calcite depressant is confirmed through micro-flotation *** pH=9,with LUT concentration of 50 mg·L^(-1) and NaOL concentration of 50 mg·L^(-1),scheelite recovery reaches 80.3%.Calcite,on the other hand,exhibits a recovery rate of 17.6%,indicating a significant difference in floatability between the two ***,the surface modifica-tions of scheelite and calcite following LUT treatment are characterized using adsorption capacity testing,Zeta potential analysis,Fourier transform infrared spectroscopy(FT-IR),X-ray photoelectron spectroscopy(XPS),and atomic force microscopy(AFM).The study in-vestigates the selective depressant mechanism of LUT on *** capacity testing and Zeta potential analysis demonstrate sub-stantial absorption of LUT on the surface of calcite,impeding the further adsorption of sodium oleate,while its impact on scheelite is ***-IR and XPS analyses reveal the selective adsorption of LUT onto the surface of calcite,forming strong chemisorption bonds between the hydroxyl group and calcium ions *** directly illustrates the distinct adsorption densities of LUT on the two miner-al ***,LUT can effectively serve as a depressant for calcite,enabling the successful separation of scheelite and calcite.

关键词： scheelite calcite luteolin flotation depressant separation

Graph neural network-based scheduling for multi-UAV-enabled communications in D2D networks

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Digital Communications and Networks 2024年第1期10卷 45-52页

作者： Pei Li Lingyi Wang Wei wu Fuhui Zhou Baoyun Wang Qihui wu Nanjing University of Posts and Telecommunications Nanjing210023China Nanjing University of Aeronautics and Astronautics Nanjing210016China

In this paper,we jointly design the power control and position dispatch for Multi-Unmanned Aerial Vehicle(UAV)-enabled communication in Device-to-Device(D2D)*** objective is to maximize the total transmission rate of Downlink Users(DUs).Meanwhile,the Quality of Service(QoS)of all D2D users must be *** comprehensively considered the interference among D2D communications and downlink *** original problem is strongly non-convex,which requires high computational complexity for traditional optimization *** to make matters worse,the results are not necessarily globally *** this paper,we propose a novel Graph Neural Networks(GNN)based approach that can map the considered system into a specific graph structure and achieve the optimal solution in a low complexity ***,we first construct a GNN-based model for the proposed network,in which the transmission links and interference links are formulated as vertexes and edges,***,by taking the channel state information and the coordinates of ground users as the inputs,as well as the location of UAVs and the transmission power of all transmitters as outputs,we obtain the mapping from inputs to outputs through training the parameters of *** results verified that the way to maximize the total transmission rate of DUs can be extracted effectively via the training on ***,it also shows that the performance of proposed GNN-based method is better than that of traditional means.

关键词： Unmanned aerial vehicle D2 Dcommunication Graph neural network Power control Position planning