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Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： jia zhao Taixi Feng Guimin Lu National Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

Inhibiting SHP2 reduces glycolysis, promotes microglial M1 polarization, and alleviates secondary inflammation following spinal cord injury in a mouse model

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Neural Regeneration Research 2025年第3期20卷 858-872页

作者： Xintian Ding Chun Chen Heng zhao Bin Dai Lei Ye Tao Song Shuai Huang jia Wang Tao You Department of Orthopedics The First Affiliated Hospital of USTCDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefeiAnhui ProvinceChina Department of Orthopedics Provincial Hospital Affiliated to Anhui Medical UniversityHefeiAnhui ProvinceChina

Reducing the secondary inflammatory response, which is partly mediated by microglia, is a key focus in the treatment of spinal cord injury. Src homology 2-containing protein tyrosine phosphatase 2(SHP2), encoded by PTPN11, is widely expressed in the human body and plays a role in inflammation through various mechanisms. Therefore, SHP2 is considered a potential target for the treatment of inflammation-related diseases. However, its role in secondary inflammation after spinal cord injury remains unclear. In this study, SHP2 was found to be abundantly expressed in microglia at the site of spinal cord injury. Inhibition of SHP2 expression using siRNA and SHP2 inhibitors attenuated the microglial inflammatory response in an in vitro lipopolysaccharide-induced model of inflammation. Notably, after treatment with SHP2 inhibitors, mice with spinal cord injury exhibited significantly improved hind limb locomotor function and reduced residual urine volume in the bladder. Subsequent in vitro experiments showed that, in microglia stimulated with lipopolysaccharide, inhibiting SHP2 expression promoted M2 polarization and inhibited M1 polarization. Finally, a co-culture experiment was conducted to assess the effect of microglia treated with SHP2 inhibitors on neuronal cells. The results demonstrated that inflammatory factors produced by microglia promoted neuronal apoptosis, while inhibiting SHP2 expression mitigated these effects. Collectively, our findings suggest that SHP2 enhances secondary inflammation and neuronal damage subsequent to spinal cord injury by modulating microglial phenotype. Therefore, inhibiting SHP2 alleviates the inflammatory response in mice with spinal cord injury and promotes functional recovery postinjury.

关键词： apoptosis glycolysis inflammatory response microglia neurons polarization spinal cord injury Src homology 2-containing protein tyrosine phosphatase 2

LiDAR-Visual SLAM with Integrated Semantic and Texture Information for Enhanced Ecological Monitoring Vehicle Localization

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Computers, Materials & Continua 2025年第1期82卷 1401-1416页

作者： Yiqing Lu Liutao zhao Qiankun zhao Foreign Environmental Cooperation Center Ministry of Ecology and Environment of PRCBeijing100035China Beijing Computing Center Co. Ltd.Beijing Academy of Science and TechnologyBeijing100083China Beijing Guyu Interactive Artificial Intelligence Application Co. Ltd.Beijing100024China

Ecological monitoring vehicles are equipped with a range of sensors and monitoring devices designed to gather data on ecological and environmental *** vehicles are crucial in various fields,including environmental science research,ecological and environmental monitoring projects,disaster response,and emergency management.A key method employed in these vehicles for achieving high-precision positioning is LiDAR(lightlaser detection and ranging)-Visual Simultaneous Localization and Mapping(SLAM).However,maintaining highprecision localization in complex scenarios,such as degraded environments or when dynamic objects are present,remains a significant *** address this issue,we integrate both semantic and texture information from LiDAR and cameras to enhance the robustness and efficiency of data ***,semantic information simplifies the modeling of scene elements,reducing the reliance on dense point clouds,which can be less ***,visual texture information complements LiDAR-Visual localization by providing additional contextual *** incorporating semantic and texture details frompaired images and point clouds,we significantly improve the quality of data association,thereby increasing the success rate of *** approach not only enhances the operational capabilities of ecological monitoring vehicles in complex environments but also contributes to improving the overall efficiency and effectiveness of ecological monitoring and environmental protection efforts.

关键词： LiDAR-Visual simultaneous localization and mapping integrated semantic texture information

Decision making module based on stochastic magnetic tunnel junctions

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 202-209页

作者： Yifan Miao Li zhao Yajun Zhang Zhe Yuan Center for Advanced Quantum Studies and Department of Physics Beijing Normal University Institute for Nanoelectric Devices and Quantum Computing Fudan University Interdisciplinary Center for Theoretical Physics and Information Sciences Fudan University

In biological neural systems, noise is ubiquitous but does not affect the correct decisions made in the complex cognitive ***-making in biological neural system is typically achieved by accumulating input information over a period of *** by recent developments in neurosciences, we design a decision-making module based on spintronic devices, utilizing superparamagnetic tunnel junctions as artificial neurons. The feasibility of this decision-making module is verified through circuit simulations. Taking a multi-layer perceptron as an example, the module significantly improves the accuracy of the perceptron in the handwritten digit recognition task. Furthermore, the spintronic decision-making module offers advantages over the conventional pooling methods, such as adaptive decision time, high performance and the absence of analog-to-digital conversion. The decision-making module is flexible to be integrated into artificial neural networks and provides a general yet effective solution to enhance performance against device noise.

关键词： neuromorphic computing spintronics magnetic tunnel junction neural networks

A Novel Function of Yeast Ktill during Fe3+ Assimilation

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A Novel Function of Yeast Ktill during Fe3+ Assimilation

Tunable Lower Critical Solution Temperature of Poly(butyl acrylate)in Ionic Liquid Blends

2008年全国生物化学与分子生物学学术大会

作者： Wei-fang Li Yang Du Wang Cheng jia Sun cong-zhao Zhou (Hefei National Laboratory for Physical Sciences at Microscale,University of Science and Technology of China,Hefei Anhu 230027,PR China.School of Life Sciences,University of Science and Technology of China,Hefei 230027,P.R.China)

Kti11p was first discovered as the factor necessary to maintain the sensitivity to certain kinds of killer toxin (Kluyveromyces lactis zymocin).It was also found to be a Zn-ribbon protein that was co-purified with Dph1, Dph2,Eft2 and elongator subunits Iki3,Elp2,Elp3 as a complex required for synthesis of diphthamide,a

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Chinese Journal of Polymer Science 2021年第5期39卷 585-591,I0006页

作者： Lie Chen Jin Huang cong zhao jia-jia Zhou Ming-Jie Liu Key Laboratory of Bio-Inspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191China School of Physics Beihang UniversityBeijing 100191China International Research Institute for Multidisciplinary Science Beihang UniversityBeijing 100191China

We describe the lower critical solution temperature(LCST)-type phase behavior of poly(butyl acrylate)(PBA)dissolved in hydrophobic 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}amide ionic liquids(ILs).The temperature-composition phase diagrams of these PBA/ILs systems are strongly asymmetric with the critical composition shifted to low concentrations of *** the molecular weight increases from 5.0×10^(3) to 2.0×10^(4),the critical temperature decreases by about 67℃,and the critical composition shifts to a lower ***,the LCST of PBA/ILs system increases as increasing the alkyl side chain length in the imidazolium *** IL blends as solvents,the LCST of PBA can be tuned almost linearly over a wide range by varying the mixing ratio of two ionic liquids without modifying the chemical structure of the polymers.

关键词： PBA Ionic liquid LCST Thermo-responsive

A Generative Model-Based Network Framework for Ecological Data Reconstruction

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Computers, Materials & Continua 2025年第1期82卷 929-948页

作者： Shuqiao Liu zhao Zhang Hongyan Zhou Xuebo Chen School of Electronic and Information Engineering University of Science and Technology LiaoningAnshan114051China School of Computer Science and Software Engineering University of Science and Technology LiaoningAnshan114051China

This study examines the effectiveness of artificial intelligence techniques in generating high-quality environmental data for species introductory site selection *** Strengths,Weaknesses,Opportunities,Threats(SWOT)analysis data with Variation Autoencoder(VAE)and Generative AdversarialNetwork(GAN)the network framework model(SAE-GAN),is proposed for environmental data *** model combines two popular generative models,GAN and VAE,to generate features conditional on categorical data embedding after SWOT *** model is capable of generating features that resemble real feature distributions and adding sample factors to more accurately track individual sample *** data is used to retain more semantic information to generate *** model was applied to species in Southern California,USA,citing SWOT analysis data to train the *** show that the model is capable of integrating data from more comprehensive analyses than traditional methods and generating high-quality reconstructed data from them,effectively solving the problem of insufficient data collection in development *** model is further validated by the Technique for Order Preference by Similarity to an Ideal Solution(TOPSIS)classification assessment commonly used in the environmental data *** study provides a reliable and rich source of training data for species introduction site selection systems and makes a significant contribution to ecological and sustainable development.

关键词： Convolutional Neural Network(CNN) VAE GAN TOPSIS data reconstruction

IDSSCNN-XgBoost:Improved Dual-Stream Shallow Convolutional Neural Network Based on Extreme Gradient Boosting Algorithm for Micro Expression Recognition

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Computers, Materials & Continua 2025年第1期82卷 729-749页

作者： Adnan Ahmad zhao Li Irfan Tariq Zhengran He School of Information Science and Engineering Southeast UniversityNanjing210016China

Micro-expressions(ME)recognition is a complex task that requires advanced techniques to extract informative features fromfacial *** deep neural networks(DNNs)with convolutional structures have been ***,unlike DNNs,shallow convolutional neural networks often outperform deeper models in mitigating overfitting,particularly with small ***,many of these methods rely on a single feature for recognition,resulting in an insufficient ability to extract highly effective *** address this limitation,in this paper,an Improved Dual-stream Shallow Convolutional Neural Network based on an Extreme Gradient Boosting Algorithm(IDSSCNN-XgBoost)is introduced for ME *** proposed method utilizes a dual-stream architecture where motion vectors(temporal features)are extracted using Optical Flow TV-L1 and amplify subtle changes(spatial features)via EulerianVideoMagnification(EVM).These features are processed by IDSSCNN,with an attention mechanism applied to refine the extracted effective *** outputs are then fused,concatenated,and classified using the XgBoost *** comprehensive approach significantly improves recognition accuracy by leveraging the strengths of both temporal and spatial information,supported by the robust classification power of *** proposed method is evaluated on three publicly available ME databases named Chinese Academy of Sciences Micro-expression Database(CASMEII),Spontaneous Micro-Expression Database(SMICHS),and Spontaneous Actions and Micro-Movements(SAMM).Experimental results indicate that the proposed model can achieve outstanding results compared to recent *** accuracy results are 79.01%,69.22%,and 68.99%on CASMEII,SMIC-HS,and SAMM,and the F1-score are 75.47%,68.91%,and 63.84%,*** proposed method has the advantage of operational efficiency and less computational time.

关键词： ME recognition dual stream shallow convolutional neural network euler video magnification TV-L1 XgBoost

Synthesis of chiral phosphine derivatives through a copper（I）-catalyzed desymmetric SNAr reaction

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Science China Chemistry 2025年

作者： Shuai Zhang Pei-Zhi Liu Yan-Bo Li Qi Zhang Jun-zhao Xiao Yi-Fan Wang Tian-Yu Wei jia-Wei jiang Ye Wang Qian Peng Liang Yin Key Laboratory of Fluorine and Nitrogen Chemistry and Advanced Materials Shanghai Institute of Organic Chemistry University of Chinese Academy of Sciences Chinese Academy of Sciences State Key Laboratory of Elemento-Organic Chemistry and Tianjin Key Laboratory of Biosensing and Molecular Recognition College of Chemistry Frontiers Science Center for New Organic Matter Nankai University Haihe Laboratory of Sustainable Chemical Transformations

Axially chiral phosphines are a class of extremely important ligands in asymmetric catalysis. Herein, an unprecedented copper（I）-catalyzed asymmetric SNAr reaction with HP（S）R2is uncovered, which delivers a series of axially chiral phosphine derivatives in high yields with excellent enantioselectivity. Furthermore, the diastereoselective reaction with the kinetic resolution of racemic HP（S）ArR proceeds smoothly, providing the products with moderate diastereoselectivity and excellent enantioselectivity. Control experiments indicate that HP（S）Ph2is much more active than HPPh2and HP（O）Ph2as the pronucleophile in the present reaction. It is found that the SNAr reaction （the first SNAr） proceeds in a desymmetric manner, providing the desired chiral products while a continued SNAr reaction （the second SNAr） slightly occurs in a kinetic resolution manner in the present catalytic system, which enhances the ee of the desired chiral products. DFTcalculations support a concerted reaction pathway rather than a step-wise mechanism. Finally, axially chiral olefin-phosphines produced by the present method work as suitable ligands in Pdcatalyzed asymmetric allylic substitution with C-, N-, and O-nucleophiles and Rh-catalyzed asymmetric addition of arylboronic acid to benzil.

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