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Molecular dynamics simulations of helium transport through inorganic mineral nanopores

Science China Earth Sciences 2025年第1期68卷 237-252页

作者： Dandan SONG ping GUAN Chi ZHANG Jiahao REN School of Earth and Space Sciences Peking University

Helium transport through nanoscale inorganic mineral pores and pore throats is essential for its overall migration. To elucidate helium's transport dynamics within nanopores, we employed equilibrium and non-equilibrium molecular dynamics simulations to investigate helium's static self-diffusion and pressure-driven flow in quartz slit-shaped nanopores. We also introduced water and various gases, including hydrogen, methane, ethane, nitrogen, and carbon dioxide, into the nanopores to assess their influence on helium transport. Our findings indicate minimal helium adsorption on quartz pore surfaces. Under conditions where the pore size is less than 5 nm and the pressure under 10 MPa, environmental factors markedly influence helium diffusion. Large pore sizes, high temperatures, and low gas pressures enhance helium desorption and facilitate faster diffusion. We observed a positive correlation between helium flow velocity and factors such as pore size, pressure gradient, and surface smoothness of the pores. Notably, the presence of pore water and carrier gases in quartz nanopores, which diffuse more slowly than helium, tends to reduce helium surface adsorption and slow its diffusion. Among the carrier gases studied, nitrogen showed similar adsorption capacity, diffusivity, and stability to helium, while carbon dioxide displayed the highest adsorption capacity and the slowest diffusion rate, markedly differing from helium. Based on the simulation results, we concluded that water and carrier gases primarily function as transport mediums in helium migration, moving together with helium. Nitrogen, which shares similar properties with helium, effectively assists in this co-migration process. Conversely, carbon dioxide, due to its high adsorption capacity and slow diffusion, tends to be lost during co-migration. As a result, gas reservoirs with high nitrogen levels and low carbon dioxide levels are more likely to have higher helium concentrations. Additionally, the smaller por

关键词： Helium transport Slit nanopores Molecular dynamics simulations Diffusion Flow carriers

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Decreased levels of phosphorylated synuclein in plasma are correlated with poststroke cognitive impairment

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Neural Regeneration Research 2025年第9期20卷 2598-2610页

作者： Yi wang Yuning Li Yakun Gu Wei Ma Yuying Guan Mengyuan guo Qianqian Shao Xunming Ji Jia Liu Department of Clinical Laboratory Beijing Bo’ai HospitalChina Rehabilitation Research CenterCapital Medical UniversityBeijingChina Beijing Institute of Brain Disorders Laboratory of Brain DisordersMinistry of Science and TechnologyCollaborative Innovation Center for Brain DisordersBeijing Advanced Innovation Center for Big Data-based Precision MedicineCapital Medical UniversityBeijingChina Department of Neurosurgery Xuanwu HospitalCapital Medical UniversityBeijingChina

Poststro ke cognitive impairment is a major secondary effect of ischemic stroke in many patients;however,few options are available for the early diagnosis and treatment of this *** aims of this study were to(1)determine the specific relationship between hypoxic andα-synuclein during the occur of poststroke cognitive impairment and(2)assess whether the serum phosphorylatedα-synuclein level can be used as a biomarker for poststro ke cognitive *** found that the phosphorylatedα-synuclein level was significantly increased and showed pathological aggregation around the cerebral infa rct area in a mouse model of ischemic *** addition,neuronalα-synuclein phosphorylation and aggregation were observed in the brain tissue of mice subjected to chronic hypoxia,suggesting that hypoxia is the underlying cause ofα-synuclein-mediated pathology in the brains of mice with ischemic *** phosphorylatedα-synuclein levels in patients with ischemic stroke were significantly lower than those in healt hy subjects,and were positively correlated with cognition levels in patients with ischemic ***,a decrease in serum high-density lipoprotein levels in stroke patie nts was significantly correlated with a decrease in phosphorylatedα-synuclein *** ischemic stroke mice did not show significant cognitive impairment or disrupted lipid metabolism 14 days after injury,some of them exhibited decreased cognitive function and reduced phosphorylatedα-synuclein *** together,our results suggest that serum phosphorylatedα-synuclein is a potential biomarker for poststroke cognitive impairment.

关键词： biomarker high-density lipoprotein ischemic stroke phosphorylatedα-synuclein poststroke cognitive impairment

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Boosting cationic and anionic redox activity of Li-rich layered oxide cathodes via Li/Ni disordered regulation

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Journal of Energy Chemistry 2025年第1期100卷 533-543页

作者： Zewen Liu Zhen Wu Hao wang Xudong Zhang Yuanzhen Chen Yongning Liu Shengwu guo Shenghua Chen Yanli Nan Yan Liu State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University School of Materials Science and Engineering Xi'an University of Architecture and Technology Hefei Advanced Computing Center Operation Management Corp Ltd Network Information Center Xi'an Jiaotong University

Lithium-rich layered oxides （LLOs） are increasingly recognized as promising cathode materials for nextgeneration high-energy-density lithium-ion batteries （LIBs）.However,they suffer from voltage decay and low initial Coulombic efficiency （ICE） due to severe structural degradation caused by irreversible O ***,we introduce a three-in-one strategy of increasing Ni and Mn content,along with Li/Ni disordering and TM–O covalency regulation to boost cationic and anionic redox activity simultaneously and thus enhance the electrochemical activity of *** target material,Li1.2Ni0.168Mn0.558Co0.074O2（L1）,exhibits an improved ICE of 87.2%and specific capacity of 293.2 mA h g-1and minimal voltage decay of less than 0.53 m V cycle-1over 300 cycles at 1C,compared to Li1.2Ni0.13Mn0.54Co0.13O2（Ls）(274.4 mA h g-1for initial capacity,73.8%for ICE and voltage decay of 0.84 mV/cycle over 300 cycles at 1C).Theoretical calculations reveal that the density of states （DOS） area near the Fermi energy level for L1 is larger than that of Ls,indicating higher anionic and cationic redox reactivity than ***,L1 exhibits increased O-vacancy formation energy due to higher Li/Ni disordering of 4.76%（quantified by X-ray diffraction Rietveld refinement） and enhanced TM–O covalency,making lattice O release more difficult and thus improving electrochemical *** increased Li/Ni disordering also leads to more Ni2+presence in the Li layer,which acts as a pillar during Li+de-embedding,improving structural *** research not only presents a viable approach to designing low-Co LLOs with enhanced capacity and ICE but also contributes significantly to the fundamental understanding of structural regulation in high-performance LIB cathodes.

关键词： Ice

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Plasmonic tandem heterojunctions enable high-efficiency charge transfer for broad spectrum photocatalytic hydrogen production

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Journal of Energy Chemistry 2025年第1期100卷 710-720页

作者： Wenxuan Chen Xiu-Qing Qiao guo Hui Bojing Sun Dongfang Hou Meidi wang Xueqian Wu Tao Wu Dong-Sheng Li College of Materials and Chemical Engineering Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials China Three Gorges University Hubei Three Gorges Laboratory College of Chemistry and Materials Science and Guangdong Provincial Key Laboratory of Supramolecular Coordination Chemistry Jinan University

Rational engineering of semiconductor photocatalysts for efficient hydrogen production is of great significance but still challenging,primarily due to the limitations in charge transfer ***,a fascinating plasmonic tandem heterojunction with the hc-CdS/Mo2C@C heterostructure is aimfully prepared for effectively promoting the charge separation kinetics of the CdS photocatalyst via the synergistic strategy of phase junction,Schottky junction,and photothermal *** difference in atomic configuration between cubic-CdS （c-CdS） and hexagonal-CdS （h-CdS） leads to effective charge separation through a typical Ⅱ charge transfer mechanism,and plasmonic Schottky junction further extracts the electrons in the hc-CdS phase junction to realize gradient charge ***,the photothermal effect of Mo2C@C helps to expand the light absorption,accelerate charge transfer kinetics,and reduce the hydrogen evolution energy *** carbon layer provides a fast channel for charge transfer and protects the photocatalyst from *** a result,the optimized hc-CMC photocatalyst exhibits a significantly high photocatalytic H2production activity of 28.63 mmol/g/h and apparent quantum efficiency of 61.8%,surpassing most of the reported *** study provides a feasible strategy to enhance the charge transfer kinetics and photocatalytic activity of CdS by constructing plasmonic tandem heterogeneous junctions.

关键词： Cadmium sulfide

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视网膜静脉阻塞发生发展的眼部生物标记物研究进展

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国际眼科杂志 2022年第12期22卷 2005-2009页

作者：张钟月刘小虎王利萍肖建强王国平成都中医药大学四川成都610075 成都中医大银海眼科医院四川成都610084

视网膜静脉阻塞(RVO)是仅次于糖尿病视网膜病变(DR)的第二大常见的视网膜血管性疾病。近年研究陆续发现,一些眼部辅助检查得到的指标或征象可预示疾病的发生发展及视力结局,我们称之为眼部生物标记物(biomarker),如视网膜内层结构紊乱(D... 详细信息

视网膜静脉阻塞(RVO)是仅次于糖尿病视网膜病变(DR)的第二大常见的视网膜血管性疾病。近年研究陆续发现,一些眼部辅助检查得到的指标或征象可预示疾病的发生发展及视力结局,我们称之为眼部生物标记物(biomarker),如视网膜内层结构紊乱(DRIL)、急性黄斑旁中心中层视网膜病变(PAMM)、突出的中界膜征(p-MLM)、视网膜内高反射灶(HRF)、视网膜下液(SRF)、椭圆体带(EZ)、外界膜(ELM)及浅表毛细血管丛(SCP)与深层毛细血管丛(DCP)等。本文就RVO的眼部生物标记物进行综述,希望通过这些指标从多维度观察RVO的发生及发展,对RVO预后判断提供指导,更全面地认识该疾病,并避免严重的视力结局。

关键词：视网膜静脉阻塞眼部生物标记物光学相干断层成像缺血视力

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Towards a scientific rationale for traditional properties of Chinese medicinal plants: “natures” and “flavors”

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Chinese Herbal Medicines 2019年第3期11卷 258-266页

作者： Li-ping Li Ben-gang Zhang Zhao Zhang Xiao-jin Li guo-ping wang Hai-long Song Cong-zhao Fan Yang-ming Jiang Tuo wang Hui-hui Zhao Wei-hong Cui Jiang-shan Lai Xiu-lian Chi Xue-ping Wei Chong-ming Wu Yao-dong Qi Hai-tao Liu Pei-gen Xiao Eimear Nic Lughadha Christine J.Leon Institute of Remote Sensing and Digital Earth Chinese Academy of SciencesBeijing100101China Institute of Medicinal Plant Development Chinese Academy of Medical SciencesPeking Union Medical CollegeBeijing100193China Xinjiang Institute of Chinese and Ethnic Medicine Urumqi830002China State Key Laboratory of Vegetation and Environmental Change Institute of BotanyChinese Academy of SciencesBeijing100093China National Resource Center for Chinese Materia Medica China Academy of Chinese Medical SciencesState Key Laboratory Breeding Base of Dao-di HerbsBeijing100700China Conservation Science Department Royal Botanic GardensKewRichmondSurreyTW93AEUK Collections Department Royal Botanic GardensKewRichmondSurreyTW93AEUK

Objective: According to theory of Chinese medicine property, the ecological environment shapes properties(natures and flavors) of Chinese materia medica(CMM) and there are close relationships between certain natures and flavors. However, to date these observations have not been validated scientifically in the context of the whole flora of a region. The present study aims to address this ***: We collected geographical distributions of 3637 vascular plant species native to the Xinjiang region of northwest China, of which around 812 are medicinal plants. The CMM property characters of these medicinal plants were also collected. All medicinal plants were then analyzed in the occurrence of their natures(cold, cool, neutral, warm, and hot) and flavors(sweet, bitter, sour, salty, and pungent). Possible correlations between these properties and environmental factors, notably climate, as well as correlations with plant species richness of the wider native flora of Xinjiang were then investigated using permutation test and ***: Cold species(38.5%) were more numerous than warm(21.0%) and neutral(22.3%), while bitter species(43.3%) were more numerous than pungent(25.6%), sweet(22.4%) and sour(6.7%) ones. Species with bitter flavor were most commonly also cold(48.6%) in nature, sour flavor usually coincided with cold(44.2%) or cool nature(26.0%), whereas pungent or sweet species tended to be warm(34.4%, 28.4%) or neutral(27.8%, 28.4%). The percentages of species of cold/cool nature, bitter flavor were higher in mountainous regions, and the percentages of warm/neutral and pungent/sweet/sour were higher in basins. The percentages of species of cold/cool, bitter were positively correlated with actual evapotranspiration(AET),and also plant species richness but had a bell-shaped relationship with potential evapotranspiration(PET),whereas the inverse situation was shown for warm/neutral and pungent/sweet/sour ***: Analysis of the data in Xinjiang

关键词： flavor nature Chinese materia medica theory of Chinese medicine property Xinjiang region

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Enhancing anion conductivity in a highly alkali-stable eta topologic Cu(Ⅰ) framework via strong electrostatic repulsion

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Science China Chemistry 2025年

作者： Xiaolu wang Shaohui guo Chao Suo Fuqiang Zhang Junhao wang Wenjing wang Daqiang Yuan Linfeng Liang Xianming Zhang College of Chemistry Taiyuan University of Technology Institute of Crystalline Materials Shanxi University School of Chemistry and Materials Science Shanxi Normal University State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences

Metal-organic frameworks （MOFs） based on anion exchange membranes （AEMs） have garnered considerable interest,particularly for their potential to enhance ion conductivity by pre-introducing anions into *** approach is recognized as straightforward and effective for improving ion ***,developing high-performance AEMs is limited by the inherent instability and low resistance of *** study presents a novel 1,3,5-triazineμ3-bridged neutral Cu（I） framework,designated SXU-120 （where SXU represents Shanxi University）.This framework is synthesized using melamine,a widely available industrial product,as the starting material,achieving a high space-time yield exceeding 1.1 kg *** organic ligands and metal ions in SXU-120 are 3-connected,forming a rare eta topology with the point symbol 8～***-120 exhibits exceptional stability,even in a 10 M KOH solution,due to its high density of uncoordinated–NH2and carbonyl ***,the framework’s unique one-dimensional channels,characterized by their electronegativity,interact electrostatically with OH-ions,thereby accelerating OH-ion transfer along these ***,the OH-conductivity of this material reaches an impressive 0.49 S cm-1at 90°C under full humidity for 100 h,representing the highest OH-conductivity reported for MOF-based conductors to *** properties make SXU-120 a promising candidate for efficient AEM materials in next-generation industrial applications.

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Insight into the particle shape on the impact of dry granular flow against a rigid barrier: A DEM study

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Journal of Earth Science 2025年

作者： Rui-Xiao Zhan Dong Su Xiang-Sheng Chen Yuan-Jun Jiang guo-ping Lei Jing-Jing Yu Key Laboratory for Resilient Infrastructures of Coastal Cities (MOE)， Shenzhen University College of Civil and Transportation Engineering， Shenzhen University School of Architecture and Urban Planning， Shenzhen University Shenzhen Key Laboratory of Green， Efficient and Intelligent Construction of Underground Metro Station， Shenzhen University Institute of Mountain Hazards and Environment， Chinese Academy of Sciences School of Transportation， Civil Engineering & Architecture， Foshan University

The effect of particle shape on the impact of dry granular flow remains an open area for further investigation. Five distinct particle shapes were examined in this study using discrete element simulations after calibrating the numerical model using a published work. The findings indicated that the particle shape had a significant influence on granular mobility. With negligible variations in normalized kinetic energy between particles of different shapes， the effect of particle shape on the increasing rate of kinetic energy became more obvious. All irregular particle scenarios had longer accumulated particle lengths down the channel than spherical particles. Variations in particle shape led to adjustments in the distribution of impact forces on the barrier. These findings substantially enhance our understanding of the distinctive effects of particle shapes on the impact mechanism of dry granular flow.

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真空清洗炉加热系统可靠性的改进

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机械管理开发 2001年第1期16卷 61-62页

作者：郭萍王守信太原长城光电子工业公司太原重型机械学院

重点阐述了真空清洗炉的核心部分--加热带的使用寿命问题。通过对损坏部件的剖析，找出了影响其寿命的关键所在，并确定了改进方案，大量实验以及用户使用结果表明，改进后的加热系统的可靠性得到了很大提高。

关键词：真空清洗炉加热系统可靠性改进加热带使用寿命化纤行业

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浙江三个新石器时代遗址出土玉玦科技分析

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光谱学与光谱分析 2017年第9期37卷 2905-2913页

作者：董俊卿孙国平王宁远楼航李青会顾冬红中国科学院上海光学精密机械研究所科技考古中心上海201800 浙江省文物考古研究所浙江杭州310014

玉玦是我国新石器时代广泛出现的一类重要玉器。环太湖流域新石器时代遗址中出土的大量玉玦,具有鲜明时代和地域特征,为探索中国玉文化起源和传播提供了重要实物。为获取环太湖流域新石器时代玉玦的基础材料学信息(如主要矿物组成、硬度... 详细信息

玉玦是我国新石器时代广泛出现的一类重要玉器。环太湖流域新石器时代遗址中出土的大量玉玦,具有鲜明时代和地域特征,为探索中国玉文化起源和传播提供了重要实物。为获取环太湖流域新石器时代玉玦的基础材料学信息(如主要矿物组成、硬度等),以及探索玉料随时间演变规律和可能的原料来源,本文以浙江省境内3个代表性新石器时代遗址——田螺山、仙坛庙和江家山遗址出土的玉玦为研究对象,采用X射线衍射(XRD)和质子激发X射线荧光(PIXE)分析技术对其进行了无损分析检测。研究结果表明:从河姆渡文化至崧泽文化晚期,所分析玉玦的主要组成矿物为萤石、迪开石、石英、白云母、透闪石和蛇纹石等,以萤石、玉髓和迪开石为主,且时代早于透闪石和蛇纹石。结合已有的研究成果,探讨了相关遗址出土玉玦的原料随时间变化特征、原料来源,以及玉玦的材料学特征与加工工艺之间的内在联系。

关键词：新石器时代玉玦无损分析玉材可能来源

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