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Journal of Energy Chemistry 2024年第8期95卷 644-650,I0014页

作者： yang-yang Wang Ya-nan Wang nan Yao Shu-Yu Sun Xiao-Qing Ding Chen-Xi Bi Qian-Kui Zhang Zhao Zheng Cheng-Bin Jin Bo-Quan Li xue-Qiang Zhang Jia-Qi Huang School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China College of Materials and Chemistry China Jiliang UniversityHangzhou 310018ZhejiangChina

Lithium(Li)metal is regarded as a promising anode candidate for high-energy-density rechargeable ***,Li metal is highly reactive against electrolytes,leading to rapid decay of active Li metal ***,alloying Li metal with low-content magnesium(Mg)is proposed to mitigate the reaction kinetics between Li metal anodes and *** atoms enter the lattice of Li atoms,forming solid solution due to the low amount(5 wt%)of *** atoms mainly concentrate near the surface of Mg-alloyed Li metal *** reactivity of Mg-alloyed Li metal is mitigated kinetically,which results from the electron transfer from Li to Mg atoms due to the electronegativity *** on quantitative experimental analysis,the consumption rate of active Li and electrolytes is decreased by using Mgalloyed Li metal anodes,which increases the cycle life of Li metal batteries under demanding ***,a pouch cell(1.25 Ah)with Mg-alloyed Li metal anodes delivers an energy density of 340 Wh kg^(-1)and a cycle life of 100 *** work inspires the strategy of modifying Li metal anodes to kinetically mitigate the side reactions with electrolytes.

关键词： Lithium metal anodes Alloying Anode/electrolyte interface Reaction kinetics Pouch cell

Utilizing a metal-forging inspired chain combing strategy to enhance properties and expand applications of Nylon 66 plastic via heat inducing

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nano Research 2024年第3期17卷 2164-2171页

作者： Junyu yang Jiangwei Zhang nan Wang Guangyuan Zhou Division of Energy Materials Daglian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Innovation Center of Energy Material and Chemistry College of Chemistry and Chemical EngineeringInner Mongolia UniversityHohhot 010021China

The mechanical properties of engineering plastics can be enhanced through effective surface mechanical treatment(SMT),which can be applied to various types of engineering plastics,eliminating the limitations of conventional polymer processing and could potentially extend their applications and improve their performance and reliability as structural-functional *** by metal forging,this work proposes a simple and effective SMT strategy to enhance the mechanical properties of polyamide 66(PA66).Tensile tests have shown that SMTed PA66 samples exhibit significant improvements in both Young’s modulus and ultimate tensile strength(UTS),with a 2104 MPa Young’s modulus,almost double that of the pristine samples,and a 35.56%increase in UTS,reaching 183 ***,the modulus within the localized SMTed surface layer could reach up to 14 GPa,which is approximately 14 times higher than that of the pristine *** Vickers hardness within the localized SMTed surface layer can be doubled,reaching 10.72 Hv,and the crystallinity can increase by approximately 20%compared to the untreated ***,force field molecular dynamics(FFMD)simulations were conducted to investigate the ternary relationship between the SMT method,PA66’s molecular structure,and its *** combination of MD simulations and versatile structural characterizations provides evidence that the SMT method’s mechanism,under heat induction,results in a chain-combing procedure that changes the polymer’s molecular morphology microscopically and enhances its mechanical properties macroscopically.

关键词： Nylon 66 mechanical properties hardness crystallinity structural characterizations molecular dynamics simulation

Corporate Credit Ratings Based on Hierarchical Heterogeneous Graph Neural Networks

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Machine Intelligence Research 2024年第2期21卷 257-271页

作者： Bo-Jing Feng Xi Cheng Hao-nan Xu Wen-Fang xue Center for Research on Intelligent Perception and Computing National Laboratory of Pattern RecognitionInstitute of AutomationChinese Academy of SciencesBeijing 100190China

order to help investors understand the credit status of target corporations and reduce investment risks,the corporate credit rating model has become an important evaluation tool in the financial *** models are based on statistical learning,machine learning and deep learning especially graph neural networks(GNNs).However,we found that only few models take the hierarchy,heterogeneity or unlabeled data into account in the actual corporate credit rating ***,we propose a novel framework named hierarchical heterogeneous graph neural networks(HHGNN),which can fully model the hierarchy of corporate features and the heterogeneity of relationships between *** addition,we design an adversarial learning block to make full use of the rich unlabeled samples in the financial *** experiments conducted on the public-listed corporate rating dataset prove that HHGNN achieves SOTA compared to the baseline methods.

关键词： Corporate credit rating hierarchical relation heterogeneous graph neural networks adversarial learning

Yemazhui(Herba Eupatorii Lindleyani)ameliorates lipopolysaccharide-induced acute lung injury via modulation of the toll-like receptor 4/nuclear factor kappa-B/nod-like receptor family pyrin domain-containing 3 protein signaling pathway and intestinal flor

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Journal of Traditional Chinese Medicine 2024年第2期44卷 303-314页

作者： REN Li HAI yang yang xue LUO Xianqin Chongqing Key Laboratory of Traditional Chinese Medicine for Prevention and Cure of Metabolic Diseases College of Traditional Chinese MedicineChongqing Medical UniversityChongqing 400016China College of Basic Medicine Chongqing Medical UniversityChongqing 400016China

OBJECTIVE:To investigate the impact of Yemazhui(Herba Eupatorii Lindleyani,HEL)against lipopolysaccharide(LPS)-induced acute lung injury(ALI)and explore its underlying mechanism in ***:The chemical constituents of HEL were analyzed by ultra-high performance liquid chromatographyquadrupole time-of-flight mass spectrometry ***,HEL was found to suppress LPS-induced ALI in ***-week-old male Sprague-Dawley rats were randomly divided into 6 groups:control,LPS,Dexamethasone(Dex),HEL low dose 6 g/kg(HEL-L),HEL medium dose 18 g/kg(HEL-M)and HEL high dose 54 g/kg(HEL-H)*** model rats were intratracheally injected with 3 mg/kg LPS to establish an ALI *** counts,lung wet/dry weight ratio,as well as myeloperoxidase(MPO)activity were determined followed by the detection with hematoxylin and eosin staining,enzyme linked immunosorbent assay,quantitative real time polymerase chain reaction,western blotting,immunohistochemistry,and ***,to explore the effect of HEL on ALI-mediated intestinal flora,we performed 16s rRNA sequencing analysis of intestinal ***:HEL attenuated LPS-induced inflammation in lung tissue and intestinal flora *** study indicated that HEL suppressed the lung coefficient and wet/dry weight ratio of LPS-induced ALI in rats,inhibited leukocytes exudation and MPO activity,and improved the pathological injury of lung *** addition,HEL reduced the expression of tumor necrosis factoralpha,interleukin-1beta(IL-1β)and interleukin-6(IL-6)in bronchoalveolar lavage fluid and serum,and inhibited nuclear displacement of nuclear factor kappa-B p65(NF-κBp65).And 18 g/kg HEL also reduced the expression levels of toll-like receptor 4(TLR4),myeloid differentiation factor 88,NF-κBp65,phosphorylated inhibitor kappa B alpha(phospho-IκBα),nod-like receptor family pyrin domain-containing 3 protein(NLRP3),IL-1β,and interleukin-18(IL-18)in lung tissue,and regulated intestinal flora disturban

关键词： Yemazhui(Herba Eupatorii Lindleyani) acute lung injury anti-inflammation toll-like receptor 4 nuclear factor kappa-B nod-like receptor family pyrin domain-containing 3 protein signal transduction gastrointestinal microbiome

Sm^(2+)ions boost ammonia electrooxidation reaction on samarium oxide anode for hydrogen generation in non-aqueous electrolyte

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nano Research 2024年第7期17卷 5856-5862页

作者： Xingyu Liu xue yang Han Sun Zekai yang Haijun Chen Tianjin Key Laboratory of Optoelectronic Thin Film Devices and Technology College of Electronic Information and Optical EngineeringNankai UniversityTianjin 300350China

Ammonia has garnered recognition as a zero-carbon fuel due to its high-density hydrogen storage capacity and its convenience for storage and *** address the challenges associated with the direct usage of ammonia,the development of NH_(3)-to-H_(2)conversion technologies has emerged as a promising and effective ***,we present for the first time that crystallized Sm_(2)O_(3−x)electrodes demonstrate high and stable electrocatalytic activities,including N_(2)evolution rate and Faradaic efficiency,for ammonia electrolysis in a non-aqueous *** was observed that Sm^(2+)ions in samarium oxide play an indispensable role in the ammonia electrooxidation reaction on the ***,the mechanism of ammonia electrooxidation has also been elucidated,laying the foundation for a better understanding of the relationship between local structure and electrochemical properties in order to facilitate research on Pt-free electrocatalysts for the electrolysis of ammonia into H_(2).

关键词： NH_(3)-to-N_(2)conversion ammonia electrooxidation reaction ammonia electrolysis non-aqueous electrolyte samarium oxide

Resonance mechanism of flapping wing based on fluid structure interaction simulation

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Chinese Journal of Aeronautics 2024年第5期37卷 243-262页

作者： Yueyang GUO Wenqing yang Yuanbo DONG Dong xue National Key Laboratory of Science and Technology on Aerodynamic Design and Research School of AeronauticsNorthwestern Polytechnical UniversityXi'an 710072China Research&Development Institute of Northwestern Polytechnical University in Shenzhen Shenzhen 518063China yangtze River Delta Research Institute of Northwestern Polytechnical University Taicang 215400China

Certain insect species have been observed to exploit the resonance mechanism of their *** order to achieve resonance and optimize aerodynamic performance,the conventional approach is to set the flapping frequency of flexible wings based on the Traditional Structural Modal(TSM)***,there exists controversy among researchers regarding the relationship between frequency and aerodynamic *** that the structural response of wings can be influenced by the surrounding air vibrations,an analysis known as Acoustic Structure Interaction Modal(ASIM)is introduced to calculate the resonant *** this study,Fluid Structure Interaction(FSI)simulations are employed to investigate the aerodynamic performance of flapping wings at modal frequencies derived from both TSM and ASIM *** performance is evaluated for various mass ratios and frequency ratios,and the findings indicate that the deformation and changes in vortex structure exhibit similarities at mass ratios that yield the highest aerodynamic ***,the flapping frequency associated with the maximum time-averaged vertical force coefficient at each mass ratio closely aligns with the ASIM frequency,as does the frequency corresponding to maximum ***,the ASIM analysis can provide an effective means for predicting the optimal flapping frequency for flexible ***,it enables the prediction that flexible wings with varying mass ratios will exhibit similar deformation and vortex structure *** paper offers a fresh perspective on the ongoing debate concerning the resonance mechanism of Flexible Flapping Wings(FFWs)and proposes an effective methodology for predicting their aerodynamic performance.

关键词： Flexible Flapping Wing(FFW) Acoustic Structure Interaction Modal(ASIM) Fluid Structure Interaction(FSI) Resonance mechanism Aerodynamic performance

Energy transfer, anticounterfeiting, white light emission and sensing in fine-regulating series of lanthanide metal-organic frameworks

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Journal of Rare Earths 2024年第3期42卷 446-454,I0001页

作者： Juanjuan xue Yao Wang Guoping yang Yaoyu Wang Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education Shaanxi Key Laboratory of Physico-Inorganic ChemistryCollege of Chemistry&Materials ScienceNorthwest UniversityXi'an710127China

Three lanthanide ions and a rigid(1,1'-biphenyl)-2,4,6-tricarboxylic acid(H_(3)bptc) ligand led to the isostructural lanthanide metal-organic frameworks(Ln-MOFs) {[Ln(bptc)(H_(2)O)_(3)]·3H_(2)O}_n(Lnbptc, Ln = Eu,Tb, Gd, Eu_(x)Tb_(1—x), Eu_(x)Gd_(1-x), Tb_(x)Gd_(1-x), and Eu_(0.12)Tb_(0.52)Gd_(0.36)). The density functional theory(DFT) and time-dependent DFT calculation were expanded on H_3bptc, which point to the occurrence of “antenna effect”. The minor diameter samples of Eubptc, Tbbptc, and Gdbptc can also be attained via the microwave synthesis and employed for handwriting anticounterfeiting. Interestingly, the typical red emission of Eu^(3+) and green emission of Tb~(3+) could be fine-tuned by Gd^(3+) via chemical mixing to be full-color emissions bimetallic doped Eu_(x)Tb_(1-x)bptc, Eu_(x)Gd_(1-x)bptc, and Tb_(x)Gd_(1-x)bptc. The above synthetic bimetallic MOFs can be fixed in positioning boxes of quick response(QR) codes with diverse emission for anticounterfeiting. The message can be decoded under the irradiation of 365 nm ultraviolet lamp while invisible in the daylight. Notably, the trimetallic doped Eu_(0.12)Tb_(0.52)Gd_(0.36)bptc emits white light with the CIE color coordinate(0.34, 0.34). Furthermore, Tbbptc is demonstrated to be a sensitive probe toward nitrobenzene and acetone with multiple mechanisms.

关键词： Metal-organic frameworks Anticounterfeiting White light-emitting Sensing Rare earths

MOF and its derivative materials modified lithium-sulfur battery separator:a new means to improve performance

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Rare Metals 2024年第6期43卷 2418-2443页

作者： Rong-Wei Huang Yong-Qi Wang Dan You Wen-Hao yang Bin-nan Deng Fei Wang Yue-Jin Zeng Yi-Yong Zhang xue Li National Local Joint Engineering Research Center for Lithium-Ion Batteries and Materials Preparation Technology Key Laboratory of Advanced Batteries Materials of Yunnan ProvinceFaculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093China State Key Laboratory of Physical Chemistry of Solid Surfaces Collaborative Innovation Centre of Chemistry for Energy MaterialsState-Province Joint Engineering Laboratory of Power Source Technology for New Energy VehicleEngineering Research Center of Electrochemical TechnologyMinistry of EducationCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China

In recent years,lithium-sulfur batteries(LSBs)are considered as one of the most promising new generation energies with the advantages of high theoretical speeific capacity of sulfur(1675 mAh·g^(-1)),abundant sulfur resources,and environmental friendliness storage technologies,and they are receiving wide attention from the ***,the problems of the shuttle effect and lithium dendrite growth in LSBs have limited their practical application,so there is a need to find ways to solve these *** is an excellent choice to use novel materials to modify battery *** those novel materials,the metal-organic framework(MOF)has the properties of regular pores and controllable *** applied as a positive electrode and diaphragm,it can restrain the shuttle effect and lithium dendrite growth,especially since it shows excellent performance in diaphragm ***,various design strategies and synthesis methods of MOF-modified separators are reviewed in this paper,and the applications of MOF in LSBs separators in different forms are introduced,including the composite of MOF and carbon-based materials,the compounding of MOF and polymer,self-carbonization to form MOF-derived *** the same time,different characterization techniques are systematically reviewed to obtain the physical and chemical properties of MOF particles and the working mechanism of MOF-modified diaphragm,which provides a basis for further research in this ***,some future research trends and directions are put forward to fully tap the future commercial potential of MOF-modified diaphragm in LSBs.

关键词： MOF Lithium-sulfur battery Modified diaphragms Design strategies Prospect Characterization

Interplay between Microscopic Structures and Macroscopic Viscoelastic Properties of Polyampholyte Gels

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Chinese Journal of Polymer Science 2024年第9期42卷 1360-1367,I0008页

作者： You-Cai xue Yi-Ming yang Di Jia Beijing National Laboratory for Molecular Sciences Laboratory of Polymer Physics and ChemistryInstitute of ChemistryChinese Academy of SciencesBeijing100190China University of Chinese Academy of Sciences Beijing100049China

Polyampholyte gels,which have hierarchical structures,exhibit excellent self-healing properties and have great promise for biomaterials and *** investigated the relationship between microscopic structures and macroscopic viscoelastic properties of polyampholyte gels and found three factors influencing their viscoelastic properties,including the chemical crosslinking bonds,topological entanglements controlled by monomer concentration,and the ionic *** strength plays a major role on the strength of ionic bonds.A crossover point of elastic modulus and loss modulus was observed in the dynamic frequency sweeps at low monomer concentration or low chemical crosslinking density for gels with intermediate strength of ionic *** solid-liquid transition signaled by the crossover point is a typical feature of dynamic associated gels,representing the dynamical association-dissociation of the ionic bonds and full relaxation of the topological entanglements in the gel *** the crossover point disappears when the ionic bonds are too weak or too strong to form“permanent”***,in the non-linear yielding measurement,gels with intermediate strength of the ionic bonds are ductile and yield at very large shear strain due to the self-healing properties and the dynamic association-dissociation of the ionic *** the self-healing properties disappear when the ionic bond strength is too weak or too *** work reveals the mechanism of how the dynamic association-dissociation of ionic bonds influences both the linear and non-linear viscoelastic properties of the polyampholyte gels.

关键词： Polyampholyte gel Ionic bond Topological entanglement Self-healing Hierarchical structure

ContextAug:model-domain failing test augmentation with contextual information

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Frontiers of Computer Science 2024年第2期18卷 43-60页

作者： Zhuo ZHANG Jianxin xue Deheng yang Xiaoguang MAO School of Information Technology and Engineering Guangzhou College of CommerceGuangzhou 511363China School of Computer and Information Engineering Institute for Artificial IntelligenceShanghai Polytechnic UniversityShanghai 201209China College of Computer National University of Defense TechnologyChangsha 410073China

In the process of software development,the ability to localize faults is crucial for improving the efficiency of *** speaking,detecting and repairing errant behavior at an early stage of the development cycle considerably reduces costs and development *** have tried to utilize various methods to locate the faulty ***,failing test cases usually account for a small portion of the test suite,which inevitably leads to the class-imbalance phenomenon and hampers the effectiveness of fault ***,in this work,we propose a new fault localization approach named *** obtaining dynamic execution through test cases,ContextAug traces these executions to build an information model;subsequently,it constructs a failure context with propagation dependencies to intersect with new model-domain failing test samples synthesized by the minimum variability of the minority feature *** contrast to traditional test generation directly from the input domain,ContextAug seeks a new perspective to synthesize failing test samples from the model domain,which is much easier to augment test *** conducting empirical research on real large-sized programs with 13 state-of-the-art fault localization approaches,ContextAug could significantly improve fault localization effectiveness with up to 54.53%.Thus,ContextAug is verified as able to improve fault localization effectiveness.

关键词： context fault localization test cases