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Protein acetylation sites with complex-valued polynomial model

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Frontiers of Computer Science 2024年第3期18卷 217-226页

作者： Wenzheng BAO Bin yang School of Information Engineering Xuzhou University of TechnologyXuzhou 221018China School of Information Science and Engineering Zaozhuang UniversityZaozhuang 277160China

Protein acetylation refers to a process of adding acetyl groups(CH3CO-)to lysine residues on protein *** one of the most commonly used protein post-translational modifications,lysine acetylation plays an important role in different *** our study,we developed a humanspecific method which uses a cascade classifier of complexvalued polynomial model(CVPM),combined with sequence and structural feature descriptors to solve the problem of imbalance between positive and negative *** gene expression programming and differential evolution are utilized to search the optimal CVPM *** also made a systematic and comprehensive analysis of the acetylation data and the prediction *** performances of our proposed method are 79.15%in Sp,78.17%in Sn,78.66%in ACC 78.76%in F1,and 0.5733 in MCC,which performs better than other state-of-the-art methods.

关键词： protein acetylation complex-valued polynomial model machine learning

Comprehensive Assessment of STGSA Generated Skeletal Mechanism for the Application in Flame-Wall Interaction and Flame-Flow Interaction

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Journal of Thermal Science 2024年第5期33卷 1946-1960页

作者： YU Chunkan yang Bin Institute of Technical Thermodynamics Karlsruhe Institute of TechnologyKarlsruhe 76131Germany Center for Combustion Energy Tsinghua UniversityBeijing 100084China

In this study,we conduct a thorough evaluation of the STGSA-generated skeletal mechanism for C_(2)H_4/*** STGSA-reduced mechanisms are taken into account,incorporating basic combustion models such as the homogeneous reactor model,one-dimensional flat premixed flame,and non-premixed counterflow ***,these models are applied to more complex combustion systems,considering factors like flame-flow interaction and flame-wall *** considerations take into account additional physical parameters and processes such as mixing frequency and *** results indicate that the skeletal mechanism adeptly captures the behavior of these complex combustion ***,it is suggested to incorporate strain rate considerations in generating the skeletal mechanism,especially when the combustion system operates under high turbulent intensity.

关键词： Species-Targeted Global Sensitivity Analysis(STGSA) mechanism reduction Partially Stirred Reactor(PaSR) spark ignition Head-on Quenching(HoQ)

Sparse Reconstructive Evidential Clustering for Multi-View Data

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IEEE/CAA Journal of Automatica Sinica 2024年第2期11卷 459-473页

作者： Chaoyu Gong yang You School of Computing National University of SingaporeSingapore

Although many multi-view clustering(MVC) algorithms with acceptable performances have been presented, to the best of our knowledge, nearly all of them need to be fed with the correct number of clusters. In addition, these existing algorithms create only the hard and fuzzy partitions for multi-view objects,which are often located in highly-overlapping areas of multi-view feature space. The adoption of hard and fuzzy partition ignores the ambiguity and uncertainty in the assignment of objects, likely leading to performance degradation. To address these issues, we propose a novel sparse reconstructive multi-view evidential clustering algorithm(SRMVEC). Based on a sparse reconstructive procedure, SRMVEC learns a shared affinity matrix across views, and maps multi-view objects to a 2-dimensional humanreadable chart by calculating 2 newly defined mathematical metrics for each object. From this chart, users can detect the number of clusters and select several objects existing in the dataset as cluster centers. Then, SRMVEC derives a credal partition under the framework of evidence theory, improving the fault tolerance of clustering. Ablation studies show the benefits of adopting the sparse reconstructive procedure and evidence theory. Besides,SRMVEC delivers effectiveness on benchmark datasets by outperforming some state-of-the-art methods.

关键词： Evidence theory multi-view clustering(MVC) optimization sparse reconstruction

An improved initial rotor position estimation method using high-frequency pulsating voltage injection for PMSM

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Defence Technology（防务技术） 2024年第3期33卷 19-29页

作者： yang Jiang Ming Cheng School of Electrical Engineering Southeast UniversityNanjing 210096China

High frequency pulsating voltage injection method is a good candidate for detecting the initial rotor position of permanent magnet synchronous ***,traditional methods require a large number of filters,which leads to the deterioration of system stability and dynamic *** order to solve these problems,a new signal demodulation method is proposed in this *** proposed new method can directly obtain the amplitude of high-frequency current,thus eliminating the use of filters,improving system stability and dynamic performance and saving the work of adjusting filter *** addition,a new magnetic polarity detection method is proposed,which is robust to current measurement ***,experiments verify the effectiveness of the method.

关键词： Initial position detection Signal demodulation algorithm Magnetic polarity detection Filter elimination

Theoretical study on the synergistic mechanism of Fe–Mn in sodium-ion batteries

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Particuology 2024年第10期93卷 284-290页

作者： yang You Mingliang Yuan School of Mineral Processing and Bioengineering Central South UniversityChangsha410083China

This article conducts first-principles calculations to initially explore the construction of two configurations,NaFeO_(2)(NFO)and NaMnO_(2)(NMO),and studies the mixing enthalpies under different Fe–Mn *** results indicate that NaFe3/8Mn5/8O_(2)(NFMO)exhibits the most thermodynamically stable *** calculations on the mixing enthalpies and volume changes during the sodium extraction process for NFO,NMO,and NFMO configurations are presented,along with the partial density of states(PDOS)and Bader charges of transition metals(TM)and *** calculations reveal the synergistic mechanism of Fe and *** and Mn can engage in more complex electron exchanges during sodium extraction,optimizing the internal electron density distribution and overall charge balance,thereby stabilizing the crystal structure and reducing the migration of Fe^(3+)to the sodium layers during deep sodium *** interaction between Fe’s 3d electrons and Mn’s 3d electrons through the shared oxygen atoms’2p orbitals occurs in the Fe–Mn–O *** interaction can lead to a rebalancing of the electron density around Mn³⁺atoms,mitigating the asymmetric electron density distribution caused by the d4 configuration of the lone Mn³⁺and suppressing the Jahn-Teller effect of Mn^(3+).Moreover,the synergistic effects between Fe and Mn can provide a more balanced charge distribution,reducing extreme changes to the charge state of oxygen atoms and decreasing the irreversible oxygen release caused by anionic redox reactions during deep sodium extraction,thereby enhancing the material’s *** in-depth study of the interaction mechanism at the microscopic level when co-doping Fe and Mn offers valuable insights for the rational design and development of high-performance cathode materials.

关键词： First-principles calculations Sodium-ionbatteries Layered oxides NaFe_(3/8)Mn_(3/8)O_(2)

Recent advances in phenazine-linked porous catalysts toward photo/electrocatalytic applications and mechanism

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Green Energy & Environment 2024年第10期9卷 1518-1549页

作者： yang Liu Yu Zhang Zhao-Di yang Liqiang Jing Heilongjiang Provincial Key Laboratory of CO2 Resource Utilization and Energy Catalytic Materials School of Material Science and Chemical EngineeringHarbin University of Science and Technology Institute of Process Engineering Chinese Academy of Sciences Key Laboratory of Functional Inorganic Materials Chemistry(Ministry of Education) School of Chemistry and Materials Science International Joint Research Center for Catalytic Technology Heilongjiang University

In recent years, porous organic catalysts have been developed and become research hotspots in photo/electrocatalysis due to their inherent pores, high specific surface area, chemical and thermal stability, and diverse functional building blocks. Phenazine-linked organic catalysts,exhibited excellent conjugation, electrical conductivity, chemical, and thermal stability, could bring in N atoms with specific numbers and positions to regulate electron levels, anchor metals, and absorb near-infrared light, which expands solar energy utilization. These advantages of the phenazine-linked catalysts attracted our group and numerous researchers to conduct experimental and computational work on photo/electrocatalytic applications and mechanisms. This review summarizes the recent significant research progress, synthesis methods, photo/electrocatalytic performance, and applications of relative phenazine-linked catalysts. Furthermore, the photo/electrocatalytic mechanism was systematized and summarized by combining experiments and density functional theory calculations simultaneously.

关键词： Phenazine-linked porous catalysts Photo/electrocatalytic applications Catalytic mechanism

Cationic starch microparticles with integrated antibacterial and hemostatic performance

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Science China Technological Sciences 2024年第10期67卷 3235-3246页

作者： SU yang NIU MengXin XU KaiDong XU Chen yang PeiLang HU yang XU Fu-Jian Key Lab of Biomedical Materials of Natural Macromolecules (Beijing University of Chemical Technology Ministry of Education)Beijing Laboratory of Biomedical MaterialCollege of Materials Science and EngineeringBeijing University of Chemical Technology Department of Burn Ruijin Hospital Affiliated to Shanghai Jiao Tong University School of Medicine

It is urgently demanded to develop biomaterials with balanced hemostatic/antibacterial ability and facile preparation methods. In this work, cationic starch microparticles(MSQP), prepared by the facile grafting of microporous starch particles(MS) with tunable quaternized polyethyleneimine, were readily constructed as promising hemostatic materials for integrated antibacterial and hemostatic performance. The cationic grafts not only endowed MSQP with good antibacterial ability, but also benefited from biocompatible MS to achieve favorable biocompatibility. Moreover, in vitro results confirmed the superior hemostatic property of MSQP2(with the medium content of cationic grafts) among three MSQP and pristine MS. After investigating the bloodmaterial interactions of MSQP/MS, the procoagulant mechanism of MSQP2 was revealed that the optimal amount of cationic grafts achieves highly balanced plasma-protein adhesion, platelet adhesion and blood coagulation system. In vivo artery-injury model further demonstrated the superior hemostatic performance of MSQP2 for potential severe hemorrhage. This work sheds light on the design of cationic polymer-based biomaterials for balanced antibacterial and hemostatic functions.

关键词： hemostasis antibacterial cationic polymer microparticles

Infrared radiation characteristics of dagger-type hypersonic missile

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Chinese Journal of Aeronautics 2024年第4期37卷 137-150页

作者： Xubo DU Qingzhen yang Haoqi yang Jin BAI Yongqiang SHI School of Power and Energy Northwestern Polytechnical UniversityXi’an 710129China

Hypersonic vehicles emit strong infrared radiation from their high-temperature exhaust plume and body, which is critical for infrared early warning, tracking, and guidance. In this work, a comprehensive analysis is conducted on the factors involved in air dissociation reaction within the shock layer of hypersonic missile heads, as well as the multi-component afterburning effect of the exhaust plume. A novel Reverse Monte Carlo Method(RMCM) is proposed for infrared radiation calculation, which utilizes two-dimensional Low-Discrepancy Sequences(LDS) to improve computational accuracy. The numerical calculations for a dagger-type missile show that afterburning reactions increase the temperature on the centerline of the outlet exhaust plume by about 1000 K. The total infrared radiation intensity of the missile is the highest in the 1–3 μm band, with the hightemperature wall of the nozzle being the primary source of solid radiation, and gas radiation primarily coming from H_(2)O. The radiation intensity of the missile exhaust plume in the 3–5 μm band is the highest, with radiation sources primarily coming from CO_(2), CO, and HCl. Afterburning reactions of the exhaust plume increase the total infrared radiation intensity of the missile by about 0.7times. These results can provide reference for the detection and guidance of hypersonic missiles.

关键词： Hypersonic vehicles Infrared radiation Monte Carlo methods Low-discrepancy sequences Exhaust plume Afterburning

Multi-faceted spatio-temporal network for weather-aware air traffic flow prediction in multi-airport system

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Chinese Journal of Aeronautics 2024年第7期37卷 301-316页

作者： Kaiquan CAI Shuo TANG Shengsheng QIAN Zhiqi SHEN yang yang School of Electronic and Information Engineering Beihang UniversityBeijing 100191China State Key Laboratory of CNS/ATM Beijing100191China Institute of Automation Chinese Academy of SciencesBeijing 100190China Research Institute for Frontier Science Beihang UniversityBeijing 100191China

As one of the core modules for air traffic flow management,Air Traffic Flow Prediction(ATFP)in the Multi-Airport System(MAS)is a prerequisite for demand and capacity balance in the complex meteorological *** to the challenge of implicit interaction mechanism among traffic flow,airspace capacity and weather impact,the Weather-aware ATFP(Wa-ATFP)is still a nontrivial *** this paper,a novel Multi-faceted Spatio-Temporal Graph Convolutional Network(MSTGCN)is proposed to address the Wa-ATFP within the complex operations of ***,a spatio-temporal graph is constructed with three different nodes,including airport,route,and fix to describe the topology structure of ***,a weather-aware multi-faceted fusion module is proposed to integrate the feature of air traffic flow and the auxiliary features of capacity and weather,which can effectively address the complex impact of severe weather,e.g.,***,to capture the latent connections of nodes,an adaptive graph connection constructor is *** experimental results with the real-world operational dataset in Guangdong-Hong Kong-Macao Greater Bay Area,China,validate that the proposed approach outperforms the state-of-the-art machine-learning and deep-learning based baseline approaches in performance.

关键词： Air traffic control Graph neural network Multi-faceted information Air traffic flow prediction Multi-airport system