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A novel and promising engineering application of carbon dots:Enhancing the chloride binding performance of cement

Chinese Chemical Letters 2024年第6期35卷 409-416页

作者： Wu-Jian Long Yang Yu Chuang He Guangdong Provincial key laboratory of Durability for Marine Civil Engineering Key Lab of Coastal Urban Resilient InfrastructureMOECollege of Civil and Transportation EngineeringShenzhen UniversityShenzhen 518060China

Corrosion of reinforcement induced by chloride invasion is extensively considered as the dominating deterioration mechanism of reinforced concrete(RC)structures,leading to serious safety hazards and tremendous economic ***,it still lacks well dispersive and cost-efficient nanomaterials to improve the anti-chloride-corrosion ability of RC ***,specific carbon dots(CDs)with high dispersity and low cost are deliberately designed,successfully prepared by hydrothermal processing,and then firstly applied to immensely enhance chloride binding performance of cement,thereby contributing to suppressing the corrosion of ***,the tailored CDs are composed of the carbon core with highly crystalline sp^(2)C structures and oxygen-containing groups connecting on the carbon core;The typical equilibrium test confirms that with respect to that of the blank cement paste,the chloride binding capacity of cement paste involving 0.2 wt%(by weight of cement)CDs is increased by 109% after 14-day exposure to 3 mol/L Na Cl solution;according to comprehensive analyses of phase compositions,the chloride binding mechanism of CDs-modified cement is rationally attributed to the fact that the incorporation of CDs advances the formation of calcium silicate hydrate(C-S-H)gels and Friedel's salt(Fs),thus enormously enhancing the physically adsorbed and chemically bound chloride ions of cement *** work not only firstly provides a novel high-dispersity and low-cost nanomaterial toward the durability enhancement of RC structures,but also broadens the application of CDs in the field of engineering,conducing to stimulating their industrialization development.

关键词： Carbon dots Chloride binding Cement Chloride binding mechanism Friedel’s salt

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Nuciferine alleviates collagen-induced arthritic in rats by inhibiting the proliferation and invasion of human arthritis-derived fibroblast-like synoviocytes and rectifying Th17/Treg imbalance

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Chinese Journal of Natural Medicines 2024年第4期22卷 341-355页

作者： WANG Hao GENG Xiaolong AI Fangbin YU Zhilun ZHANG Yan ZHANG Beibei LV Cheng GAO Ruiyang YUE Bei DOU Wei The moe key laboratory of Standardization of Chinese Medicines Shanghai Key Laboratory of Compound Chinese Medicinesand the SATCM Key Laboratory of New Resources and Quality Evaluation of Chinese MedicineInstitute of Chinese Materia MedicaSchool of Traditional Chinese Materia MedicaShanghai University of Traditional Chinese Medicine(SHUTCM)Shanghai 201203China

Rheumatoid arthritis(RA)is a chronic autoimmune disorder marked by persistent synovial inflammation and joint degradation,posing challenges in the development of effective ***,an alkaloid found in lotus leaf,has shown promising anti-inflammatory and anti-tumor effects,yet its efficacy in RA treatment remains *** study investigated the antiproliferative effects of nuciferine on the MH7A cell line,a human RA-derived fibroblast-like synoviocyte,revealing its ability to inhibit cell proliferation,promote apoptosis,induce apoptosis,and cause G1/S phase ***,nuciferine significantly reduced the migration and invasion capabilities of MH7A *** therapeutic potential of nuciferine was further evaluated in a collagen-induced arthritis(CIA)rat model,where it markedly alleviated joint swelling,synovial hyperplasia,cartilage injury,and inflammatory *** also improved collagen-induced bone erosion,decreased pro-inflammatory cytokines and serum immunoglobulins(IgG,IgG1,IgG2a),and restored the balance between T helper(Th)17 and regulatory T cells in the spleen of CIA *** results indicate that nuciferine may offer therapeutic advantages for RA by decreasing the proliferation and invasiveness of FLS cells and correcting the Th17/Treg cell imbalance in CIA rats.

关键词： Rheumatoid arthritis Collagen-induced arthritis Fibroblast-like synoviocyte Immune imbalance Nuciferine

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First-Principles Studies of Structural Evolutions in Cathode Materials LiMO_(2)(M=Co,Mn,Ni)

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Chinese Physics Letters 2024年第10期41卷 129-136页

作者： Yufeng Sun Xin-Gao Gong Ji-Hui Yang key laboratory for Computational Physical Sciences(moe) Department of PhysicsFudan UniversityShanghai 200433China Shanghai Qizhi Institution Shanghai 200232China

We explore the structural evolutions of stoichiometric LiMO_(2)using the first-principles calculations combined with the cluster expansion *** automatically obtain the ground state structures of the stoichiometric LiMO_(2)by just considering the cation orderings in the quasi rock-salt structures and the following structural relaxations due to both the atomic size mismatches and the Jahn–Teller *** point out that,on the one hand,the cation orderings are mainly determined by the nearest,the second nearest,and the third nearest cation interactions and can be obtained from the‘phase diagram’we have built using the relative strengths of effective cluster interaction(ECI).On the other hand,the structural relaxations are dominated by the crystal field splitting(CFS)energies,i.e.,structures with larger CFS energies are more *** calculating the ECIs and CFS energies for various structures of LiMO_(2),we clearly show how ECI and CFS play roles in determining the structural evolution mechanism of these systems.

关键词： method. relaxation cluster

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In-situ construction of abundant active centers on hierarchically porous carbon electrode toward high-performance phosphate electrosorption: Synergistic effect of electric field and capture sites

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Green Energy & Environment 2024年第1期9卷 126-137页

作者： Peng Zhang Fukuan Li Mingming He Silu Huo Xueli Zhang Benqiang Cen Dezhi Fang Kexun Li Hao Wang College of Environmental Science and Engineering Nankai UniversityTianjin300350China moe key laboratory of Pollution Processes and Environmental Criteria Tianjin Key Laboratory of Environmental Remediation and Pollution ControlTianjin Key Laboratory of Environmental Technology for Complex Trans-Media PollutionNankai UniversityTianjin300350China State key laboratory of Simulation and Regulation of Water Cycles in River Basins China Institute of Water Resources and Hydropower ResearchBeijing100038China

Phosphate removal is crucial for eutrophication control and water quality ***-assisted adsorption,an eco-friendly elec-trosorption process,exhibited a promising potential for wastewater ***,there are few works focused on phosphate electro-sorption,and reported electrodes cannot attach satisfactory removal capacities and ***,electro-assisted adsorption of phosphate via in-situ construction of La active centers on hierarchically porous carbon(LaPC)has been originally *** resulted LaPC composite not only possessed a hierarchically porous structure with uniformly dispersed La active sites,but also provided good conductivity for interfacial electron *** LaPC electrode achieved an ultrahigh phosphate electrosorption capability of 462.01 mg g^(-1) at 1 V,outperforming most existing *** superior phosphate removal performance originates from abundant active centers formed by the coupling of electricﬁeld and capture ***,the stability and selectivity toward phosphate capture were maintained well even under comprehensive ***,a series of kinetics and isotherms models were employed to validate the electrosorption *** work demonstrates a deep understanding and promotes a new level of phosphate electrosorption.

关键词： Electro-assisted adsorption Electrosorption Phosphate removal Active centers MOF-derived carbon

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A graph neural network approach to the inverse design for thermal transparency with periodic interparticle system

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Chinese Physics B 2024年第8期33卷 295-303页

作者：刘斌王译浠 Department of Electronic Information and Artificial Intelligence LeShan Normal UniversityLeShan 614099China Department of Physics State Key Laboratory of Surface Physicsand Key Laboratory of Micro and Nano Photonic Structures(MOE)Fudan UniversityShanghai 200438China

Recent years have witnessed significant advances in utilizing machine learning-based techniques for thermal metamaterial-based structures and devices to attain favorable thermal transport *** the various thermal transport behaviors,achieving thermal transparency stands out as particularly desirable and *** earlier work demonstrated the use of a thermal metamaterial-based periodic interparticle system as the underlying structure for manipulating thermal transport behavior and achieving thermal *** this paper,we introduce an approach based on graph neural network to address the complex inverse design problem of determining the design parameters for a thermal metamaterial-based periodic interparticle system with the desired thermal transport *** work demonstrates that combining graph neural network modeling and inference is an effective approach for solving inverse design problems associated with attaining desirable thermal transport behaviors using thermal metamaterials.

关键词： thermal metamaterial thermal transparency inverse design machine learning graph neural net-work

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Plant-based meat analogues aggravated lipid accumulation by regulating lipid metabolism homeostasis in mice

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Food Science and Human Wellness 2024年第2期13卷 946-960页

作者： Yunting Xie Linlin Cai Zhiji Huang Kai Shan Xinglian Xu Guanghong Zhou Chunbao Li key laboratory of Meat Processing and Quality Control MOEKey Laboratory of Meat ProcessingMARAJiangsu Innovative Center of Meat ProductionProcessing and Quality ControlCollege of Food Science and TechnologyNanjing Agricultural UniversityNanjing 210095China

To determine the effects of plant-based meat analogues on the metabolic health and the possible mechanisms,mice were fed with a real pork diet(AP),a real beef diet(AB),a plant-based pork analogue diet(PP)and plant-based beef analogue diet(PB)for 68 *** with real meat,the plant-based meat analogues increased food and energy intake,body weight,white fat and liver weight and caused adipocyte hypertrophy,hepatic lipid droplet accumulation,and inflammatory responses in *** revealed that plantbased meat analogues altered the composition of serum metabolites,which regulated lipid metabolism *** PB diet upregulated gene expression related to lipid synthesis,lipolysis and adipocyte differentiation while the PP diet upregulated expression of lipolysis-related genes but downregulated expression of adipocyte differentiation-related genes in white adipose ***,both PP and PB diets upregulated lipid influx-and synthesis-related genes but downregulated lipid oxidation-related genes in *** specific metabolite biomarkers may affect fat accumulation mainly by direct lipid metabolism pathways or indirect amino acid metabolism,protein digestion and absorption,bile secretion,aminoacyl-tRNA biosynthesis,neuroactive ligand-receptor interaction and ABC transporters *** findings provide a new insight into understanding the differences in nutritional functions of meat and plant-based meat analogues.

关键词： Meat analogues Metabolomics Lipid metabolism Adipose tissue dysfunction Ectopic fat deposition

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机器学习方法及应用:光电半导体材料计算设计

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Science China Materials 2024年第4期67卷 1042-1081页

作者：杨晓雨周琨贺欣张立军 State key laboratory of Integrated Optoelectronics Key Laboratory of Automobile Materials of MOEKey Laboratory of Material Simulation Methods&Software of MOEand School of Materials Science and EngineeringJilin UniversityChangchun 130012China

高通量计算与材料数据库推动了数据驱动的机器学习方法的发展.机器学习已经成为材料计算研究的重要方法,在分析材料数据、加速材料计算、预测材料性质、推进新材料发现、筛选和设计等方面展现出极大的潜力.众多与材料计算相交叉的机器... 详细信息

高通量计算与材料数据库推动了数据驱动的机器学习方法的发展.机器学习已经成为材料计算研究的重要方法,在分析材料数据、加速材料计算、预测材料性质、推进新材料发现、筛选和设计等方面展现出极大的潜力.众多与材料计算相交叉的机器学习方法、模型以及框架不断涌现.本文综述了近年来光电半导体材料计算设计领域内机器学习方法的最新进展与应用.介绍了机器学习的流程与类型,基于不同材料表示方法的浅层模型、集成模型和深度神经网络,以及相关材料数据库和相关工具.我们还讨论了这些模型在预测材料稳定性与光电性质、材料逆向设计、构建材料构效关系等方面的应用.最后,本文对目前机器学习方法存在的机遇与挑战,即数据数量与质量、材料的表示、材料逆向设计做了进一步总结与讨论.

关键词：材料数据库机器学习深度神经网络逆向设计数据驱动材料计算集成模型光电性质

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Reassessing the contributions of terrestrial waters to sea level variations in the South China Sea and its response to alternating ENSO events

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Science China Earth Sciences 2024年第7期67卷 2253-2267页

作者： Pengfei YANG Hok Sum FOK Zhongtian MA moe key laboratory of Geospace Environment and Geodesy&MNR key laboratory of Geophysical Geodesy School of Geodesy and GeomaticsWuhan UniversityWuhan 430079China Hubei Luojia laboratory Wuhan 730079China Department of Land Surveying and Geo-Informatics The Hong Kong Polytechnic UniversityHong Kong 999077China

Regional sea level variability is linked to regional terrestrial water and the El Ni?o-Southern Oscillation(ENSO).This study assessed the relationships between the sea level variations in the South China Sea(SCS)and ENSO,the impact of terrestrial water storage(TWS)on non-steric sea level(NSSL),and the contributions of steric sea level(SSL)and NSSL to sea level anomaly(SLA),*** 2003 to 2015,the SLAs exhibited a long-term trend of 6.65±0.78 mm/yr,which was primarily attributed to the ***,during 2003-2015,ENSO events alternating with varying intensities might also be responsible for the unusually high SLA *** to the SSLs,the NSSLs contributed the seasonal signals to the SLAs,while the NSSLs changes were largely explained by the TWS in the Mekong River Basin at the seasonal scale and in the Pearl River Basin and Red River Basin at other time *** contrast to the TWS,the contributions of precipitation and evapotranspiration were relatively minor.A negative correlation between the sea level variations and ENSO was also found,with cross-correlation coefficients between the oceanic Ni?o index and SLAs/SSLs/NSSLs of -0.36/-0.37/-0.62 with lags of 2/3/2 months,*** findings systematically reassessed the contributions of different components to the sea level *** study provided a benchmark for in-depth analysis of the impacts of terrestrial water and other potential causes on sea level rise in the SCS.

关键词： South China Sea Sea level variations Terrestrial water storage ENSO

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A Review on the Mullins Effect in Tough Elastomers and Gels

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Acta Mechanica Solida Sinica 2024年第2期37卷 181-214页

作者： Lin Zhan Shaoxing Qu Rui Xiao moe key Lab of Disaster Forecast and Control in Engineering College of Mechanics and Construction EngineeringJinan UniversityGuangzhou510632China State key laboratory of Fluid Power and Mechatronic System Key Laboratory of Soft Machines and Smart Devices of Zhejiang ProvinceDepartment of Engineering MechanicsZhejiang UniversityHangzhou310027China

Tough elastomers and gels have garnered broad research interest due to their wide-ranging potential ***,during the loading and unloading cycles,a clear stress softening behavior can be observed in many material systems,which is also named as the Mullins *** this work,we aim to provide a complete review of the Mullins effect in soft yet tough materials,specifically focusing on nanocomposite gels,double-network hydrogels,and multi-network *** first revisit the experimental observations for these soft *** then discuss the recent developments of constitutive models,emphasizing novel developments in the damage mechanisms or network *** phenomenological models will also be briefly *** attention is then placed on the anisotropic and multiaxial modeling *** is demonstrated that most of the existing models fail to accurately predict the multiaxial data,posing a significant challenge for developing future anisotropic models tailored for tough gels and elastomers.

关键词： Mullins effect Double-network hydrogels Nanocomposite gels Multi-network elastomers Anisotropic damage model Multiaxial model

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Investigation on mechanical properties regulation of rock-like specimens based on 3D printing and similarity quantification

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International Journal of Mining Science and Technology 2024年第5期34卷 573-585页

作者： Duanyang Zhuang Zexu Ning Yunmin Chen Jinlong Li Qingdong Li Wenjie Xu Center for Hypergravity Experiment and Interdisciplinary Research Zhejiang UniversityHangzhou 310058China moe key laboratory of Soft Soils and Geoenvironmental Engineering Zhejiang UniversityHangzhou 310058China

3D printing is widely adopted to quickly produce rock mass models with complex structures in batches,improving the consistency and repeatability of physical *** is necessary to regulate the mechanical properties of 3D-printed specimens to make them proportionally similar to natural *** study investigates mechanical properties of 3D-printed rock analogues prepared by furan resin-bonded silica sand *** mechanical property regulation of 3D-printed specimens is realized through quantifying its similarity to sandstone,so that analogous deformation characteristics and failure mode are *** similarity conversion,uniaxial compressive strength,cohesion and stress–strain relationship curve of 3D-printed specimen are similar to those of *** the study ranges,the strength of 3D-printed specimen is positively correlated with the additive content,negatively correlated with the sand particle size,and first increases then decreases with the increase of curing *** regulation scheme with optimal similarity quantification index,that is the sand type of 70/140,additive content of 2.5‰and curing temperature of 81.6℃,is determined for preparing 3D-printed sandstone analogues and *** effectiveness of mechanical property regulation is proved through uniaxial compression contrast *** study provides a reference for preparing rock-like specimens and engineering models using 3D printing technology.

关键词： 3D printing Mechanical property regulation Similarity quantification Rock analogue Sandstone

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