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Probing the electric double layer structure at nitrogen-doped graphite electrodes by constant-potential molecular dynamics simulations

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Journal of Energy Chemistry 2024年第6期93卷 299-305,I0008页

作者： Legeng Yu Nan Yao Yu-chen gao Zhong-Heng Fu Bo Jiang Ruiping Li cheng Tang Xiang chen Tsinghua Center for Green Chemical Engineering Electrification(CCEE) Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083China National Materials Corrosion and Protection Data Center University of Science and Technology BeijingBeijing 100083China Ordos Carbon Neutral Research and Application Co. Ltd.Ordos 017010Inner Mongoli1China Institute for Carbon Neutrality Tsinghua UniversityBeijing 100084China Center for Next-Generation Energy Materials and School of Chemical Engineering Sungkyunkwan University2066 Seobu-roJangan-guSuwon-siGyeonggi-do 16419Republic of Korea

Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium ***,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very ***,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an *** interface model was developed,incorporating the electrode potential and atom *** a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic ***,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,*** preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+*** CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.

关键词： Lithium batteries Graphite N-doping Electric double layer Molecular dynamics Constant potential method Electrode potential

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Predator-prey encounters:deciphering the robbery relationship between highwayman flies and their ant victims

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Integrative Zoology 2024年第2期19卷 253-261页

作者： Ying ZHAO Yulong YU Zhi chen Ying LI Huidan TENG Guillaume CHOMICKI Chuntian ZHANG gao chen Yunnan Key Laboratory for Integrative Conservation of Plant Species with Extremely Small Populations KunmingChina CAS Key Laboratory for Plant Diversity and Biogeography of East Asia Kunming Institute of BotanyChinese Academy of SciencesKunmingChina College of Life Science Shenyang Normal UniversityShenyangChina School of Ecology and Environmental Science Yunnan UniversityKunmingChina University of Chinese Academy of Sciences BeijingChina Ecology and Evolutionary Biology School of BiosciencesAlfred Denny BuildingUniversity of SheffieldWestern BankSheffieldUK

Examples of predator–prey interactions in which flies rob ants are *** date,this behavior has only been recorded in the genus Bengalia Robineau-Desvoidy(Bengaliinae,Diptera,Calliphoridae).These predatory flies ambush ants,and rob them of the food or offspring that they are ***,because of the rarity of this behavior,the reasons and consequences(evolutionary advantages)are unknown,and indeed,the behavior has been sometimes considered *** this study,we employed field investigations and behavioral analyses to investigate whether the sex of the fly Bengalia varicolor,or the weight and quality of the food carried by Pheidole nodus ants influenced fly–ant interactions in their natural *** show that food weight and quality influenced the behavior of *** independent of the fly’s *** behavior by the flies was more successful when the food robbed was of high-quality and light in ***,the weight of the food robbed modulated the escape distance the flies could carry *** then may affect the food quality and weight transported by the *** is a novel example of deciphering the relationship between highwayman flies and their ant *** the widespread distribution of Bengalia flies,we suggest that such interspecific predator–prey encounters may shape the robbery interactions and the carrying behavior of further ant species in nature.

关键词： Bengalia kleptoparasitism Pheidole predatory flies robbing

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In situ modification of heavy oil catalyzed by nanosized metal-organic framework at mild temperature and its mechanism

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Chinese Journal of Chemical Engineering 2024年第3期67卷 166-173页

作者： Li Wang Ji-Xiang Guo Rui-Ying Xiong chen-Hao gao Xiao-Jun Zhang Dan Luo The Unconventional Oil and Gas Institute China University of Petroleum-BeijingBeijing 102200China Beijing Institute of Nanoenergy and Nanosystems Chinese Academy of SciencesBeijing 101400China

Two catalysts, nano-sized cobalt-metal-organic framework(Co-MOF) and nickel(Ni)-MOF, were successfully prepared by the modification method. Tetralin(C10H12) was used as the hydrogen donor for the catalytic cracking and hydrogenation modification study of the dehydrated crude oil from the Shengli Oilfield. The optimal reaction conditions were determined through orthogonal experiments, and the components of the crude oil and modified oil samples were analyzed. The results revealed that the nanoMOF catalysts were successfully prepared and exhibited high catalytic activity. They could catalyze the cracking of large molecules in heavy oil at mild temperatures(<300°C), leading to the decomposition of the hydrogen donor. When the mass fraction of the catalyst was 0.2%, the mass fraction of the hydrogen donor was 1%, and the reaction temperature was 280°C, the Ni-MOF showed the best catalytic viscosity reduction effect. It could reduce the viscosity of heavy oil at 50°C from 15761.9 m Pa.s to 1266.2 m Pa.s,with a viscosity reduction rate of 91.97%. The modification effect of Co-MOF was the next best, which could reduce the viscosity of heavy oil to 2500.1 m Pa.s with a viscosity reduction rate of 84.14%. Molecular dynamics simulations revealed a strong interaction force between the MOF surface and asphaltene molecules. In the process of heavy-oil catalytic hydrogenation, the nano-MOF catalyst exhibited high catalytic activity. On the one hand, the empty d orbitals outside the metal atoms in the catalyst could polarize the carbon atoms in the organic matter, accelerating the breaking of long chains. On the other hand, the metal atoms in the catalyst could bond with the carbon σ bonds, breaking the carbon-carbon bonds. This disrupted the structure of the recombined components in the crude oil, irreversibly reducing the viscosity of the heavy oil and improving its fluidity.

关键词： Nano-sized MOF Petroleum Viscosity reduction Catalyst Nanomaterials

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Development review and the prospect of oil shale in-situ catalysis conversion technology

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Petroleum Science 2024年第2期21卷 1385-1395页

作者： Li Wang chen-Hao gao Rui-Ying Xiong Xiao-Jun Zhang Ji-Xiang Guo The Unconventional Oil and Gas Institute China University of Petroleum-BeijingBeijing102200China

As an unconventional resource, oil shale possesses abundant reserves and significant potential for industrial applications. The rational and efficient development of oil shale resources holds immense importance in reducing national energy demand. In-situ catalytic technology, characterized by its high efficiency, low pollution, and minimal energy consumption, represents a key direction for future oil shale development. This paper provides a comprehensive review of research progress in in-situ oil shale mining technology, oil shale pyrolysis catalysts, the pyrolysis mechanism of kerogen, and the compatibility of different heating processes and catalysts. Furthermore, the paper proposes future research directions and prospects for oil shale in-situ catalytic technology, including reservoir modification, highefficiency catalyst synthesis, injection processes, and high-efficiency heating technology. These insights serve as valuable technical references for the advancement of oil shale in-situ catalytic technology.

关键词： Oil shale In-situ catalytic technology Pyrolysis catalyst Kerogen pyrolysis mechanism

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A proton birdcage coil integrated with interchangeable single loops for multi-nuclear MRI/MRS

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Journal of Zhejiang University-Science B(Biomedicine & Biotechnology) 2024年第2期25卷 168-180页

作者： Yi ZHANG Zhiyan QUAN Feiyang LOU Yujiao FANG Garth J.THOMPSON gao chen Xiaotong ZHANG Department of Neurosurgery the Second Affiliated HospitalSchool of MedicineZhejiang UniversityHangzhou310009China Key Laboratory of Precise Treatment and Clinical Translational Research of Neurological Diseases Hangzhou310009China MOE Frontier Science Center for Brain Science and Brain-machine Integration Zhejiang UniversityHangzhou310058China Interdisciplinary Institute of Neuroscience and Technology College of Biomedical Engineering&Instrument ScienceZhejiang UniversityHangzhou310027China School of Medicine Zhejiang UniversityHangzhou310020China iHuman Institute School of Life Science and TechnologyShanghaiTech UniversityShanghai201210China College of Electrical Engineering Zhejiang UniversityHangzhou310027China

Energy metabolism is fundamental for *** encompasses the utilization of carbohydrates,lipids,and proteins for internal processes,while aberrant energy metabolism is implicated in many *** the present study,using three-dimensional(3D)printing from polycarbonate via fused deposition modeling,we propose a multi-nuclear radiofrequency(RF)coil design with integrated 1H birdcage and interchangeable X-nuclei(^(2)H,^(13)C,^(23)Na,and^(31)P)single-loop coils for magnetic resonance imaging(MRI)/magnetic resonance spectroscopy(MRS).The single-loop coil for each nucleus attaches to an arc bracket that slides unrestrictedly along the birdcage coil inner surface,enabling convenient switching among various nuclei and animal *** to a commercial 1H birdcage coil,the proposed 1H birdcage coil exhibited superior signal-excitation homogeneity and imaging signal-to-noise ratio(SNR).For X-nuclei study,prominent peaks in spectroscopy for phantom solutions showed excellent SNR,and the static and dynamic peaks of in vivo spectroscopy validated the efficacy of the coil design in structural imaging and energy metabolism detection simultaneously.

关键词： Energy metabolism Magnetic resonance imaging(MRI) Magnetic resonance spectroscopy(MRS) Multi-nuclear Radiofrequency coil Three-dimensional(3D)printing

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Mitigating Lattice Distortion of High‑Voltage LiCoO_(2)via Core‑Shell Structure Induced by Cationic Heterogeneous Co‑Doping for Lithium‑Ion Batteries

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Nano-Micro Letters 2024年第3期16卷 169-182页

作者： Zezhou Lin Ke Fan Tiancheng Liu Zhihang Xu gao chen Honglei Zhang Hao Li Xuyun Guo Xi Zhang Ye Zhu Peiyu Hou Haitao Huang Department of Applied Physics and Research Institute for Smart Energy The Hong Kong Polytechnic UniversityHong KongPeople’s Republic of China Department of Applied Physics The Hong Kong Polytechnic UniversityHong KongPeople’s Republic of China Institute of Nanosurface Science and Engineering Guangdong Provincial Key Laboratory of Micro/Nano Optomechatronics EngineeringShenzhen UniversityShenzhenPeople’s Republic of China School of Physics and Technology University of JinanJinanShandongPeople’s Republic of China

Inactive elemental doping is commonly used to improve the structural stability of high-voltage layered transition-metal oxide ***,the one-step co-doping strategy usually results in small grain size since the low diffusivity ions such as Ti^(4+)will be concentrated on grain boundaries,which hinders the grain *** order to synthesize large single-crystal layered oxide cathodes,considering the different diffusivities of different dopant ions,we propose a simple two-step multi-element co-doping strategy to fabricate core–shell structured LiCoO_(2)(CS-LCO).In the current work,the high-diffusivity Al^(3+)/Mg^(2+)ions occupy the core of single-crystal grain while the low diffusivity Ti^(4+)ions enrich the shell *** Ti^(4+)-enriched shell layer(~12 nm)with Co/Ti substitution and stronger Ti–O bond gives rise to less oxygen ligand ***-situ XRD demonstrates the constrained contraction of c-axis lattice parameter and mitigated structural *** a high upper cut-off voltage of 4.6 V,the single-crystal CS-LCO maintains a reversible capacity of 159.8 mAh g^(−1)with a good retention of~89%after 300 cycles,and reaches a high specific capacity of 163.8 mAh g^(−1)at *** proposed strategy can be extended to other pairs of low-(Zr^(4+),Ta^(5+),and W6+,etc.)and high-diffusivity cations(Zn^(2+),Ni^(2+),and Fe^(3+),etc.)for rational design of advanced layered oxide core–shell structured cathodes for lithium-ion batteries.

关键词： Lithium-ion battery LiCoO_(2) Heterogeneous co-doping Core-shell structure High-voltage stability

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Enhanced detection of freeze‒thaw induced landslides in Zhidoi county(Tibetan Plateau,China)with Google Earth Engine and image fusion

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Advances in Climate Change Research 2024年第3期15卷 476-489页

作者： Jia-Hui YANG Yan-chen gao Lang JIA Wen-Juan WANG Qing-Bai WU Francis ZVOMUYA Miles DYCK Hai-Long HE College of Natural Resources and Environment Northwest A&F UniversityYangling 712100China State Key Laboratory of Frozen Soil Engineering Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China Department of Soil Science University of Manitob1Winnipeg MB R3T 2N2Canada Department of Renewable Resources University of Albert1Edmonton AB T6G 2H1Canad

Freeze‒thaw induced landslides(FTILs)in grasslands on the Tibetan Plateau are a geological disaster leading to soil *** landslides reduce biodiversity and intensify landscape fragmentation,which in turn are strengthen by the persistent climate change and increased anthropogenic ***,conventional techniques for mapping FTILs on a regional scale are impractical due to their labor-intensive,costly,and time-consuming *** study focuses on improving FTILs detection by implementing image fusion-based Google Earth Engine(GEE)and a random forest *** of multiple data sources,including texture features,index features,spectral features,slope,and vertical‒vertical polarization data,allow automatic detection of the spatial distribution characteristics of FTILs in Zhidoi county,which is located within the Qinghai‒Tibet Engineering Corridor(QTEC).We employed statistical techniques to elucidate the mechanisms influencing FTILs *** enhanced method identifies two schemes that achieve high accuracy using a smaller training sample(scheme A:94.1%;scheme D:94.5%)compared to other methods(scheme B:50.0%;scheme C:95.8%).This methodology is effective in generating accurate results using only~10%of the training sample size necessitated by other *** spatial distribution patterns of FTILs generated for 2021 are similar to those obtained using various other training sample sources,with a primary concentration observed along the central region traversed by the *** results highlight the slope as the most crucial feature in the fusion images,accounting for 93%of FTILs occurring on gentle slopes ranging from 0°to 14°.This study provides a theoretical framework and technological reference for the identification,monitoring,prevention and control of FTILs in *** developments hold the potential to benefit the management of grassland ecosystem,reduce economic losses,and promote grassland sustainability.

关键词： Permafrost degradation Random forest Thaw slump Spatial distribution Tibetan Plateau

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Temperate Stutzerimonas Phage Encoding Toxin-Antitoxin System Genes Represents a Novel Genus

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Journal of Ocean University of China 2024年第4期23卷 1087-1101页

作者： ZHANG Hong GUO Ruizhe gao chen ZHENG Kaiyang XIONG Yao DONG Yue LIU Yundan WANG Ziyue chen Ying WANG Hongmin SHAO Hongbing SUNG Yeong Yik MOK Wen Jye WONG Li Lian MCMINN Andrew WANG Min LIANG Yantao College of Marine Life Sciences Institute of Evolution and Marine BiodiversityMOE Laboratory of Evolution and Marine BiodiversityFrontiers Science Center for Deep Ocean Multispheres and Earth SystemCenter for Ocean Carbon NeutralityOcean University of ChinaQingdao 266003China UMT-OUC Joint Center for Marine Studies Qingdao 266003China Institute of Marine Biotechnology Universiti Malaysia Terengganu21030 Kuala TerengganuMalaysia Institute for Marine and Antarctic Studies University of TasmaniaHobartTAS 7001Australia Haide College Ocean University of ChinaQingdao 266100China The Affiliated Hospital of Qingdao University Qingdao 266001China

Stutzerimonas have been extensively studied due to their remarkable metabolic and physiological ***,research on its phages is currently *** this study,we isolated a novel double-stranded DNA(dsDNA)phage,vB_SstM-PG1,from the marine environment that infects Stutzerimonas stutzeri *** dsDNA genome is 37204 bp long with a G/C content of 64.14%and encodes 54 open reading *** phage possesses a tail packaging structure that is different from known Stutzerimonas stutzeri phages and exhibits structural protein characteristics similar to those of temperate *** addition,two genes of toxin-antitoxin system,including YdaS_antitoxin and HEPN_SAV_6107,were found in the vB_SstM-PG1 genome and play important roles in regulating host growth and *** phylogenetic tree and comparative genomic analysis,it has been determined that vB_SstM-PG1 is not closely related to any phages previously identified in the GenBank ***,it has a connection with enigmatic,uncultured ***,the vB_SstM-PG1 virus exhibits an average nucleotide identity of over 70%with six uncultivated viruses identified in the IMG/VR v4 *** significant finding has resulted in the identification of a novel viral genus known as Metabovirus.

关键词： Stutzerimonas vB_SstM-PG1 Metabovirus temperate phage genomic and phylogenetic analysis

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Spatial transcriptomics:recent developments and insights in respiratory research

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Military Medical Research 2024年第3期11卷 430-448页

作者： Wen-Jia Wang Liu-Xi Chu Li-Yong He Ming-Jing Zhang Kai-Tong Dang chen gao Qin-Yu Ge Zhou-Guang Wang Xiang-Wei Zhao State Key Laboratory of Bioelectronics School of Biological Science and Medical EngineeringSoutheast UniversityNanjing 210096China Oujiang Laboratory(Zhejiang Lab for Regenerative Medicine Vision and Brain Health)School of Pharmaceutical SciencesWenzhou Medical UniversityWenzhou 325035ZhejiangChina Orthopaedic Bioengineering Research Group Division of Surgery and Interventional ScienceUniversity College LondonLondon HA74LPUK

The respiratory system's complex cellular heterogeneity presents unique challenges to researchers in this *** bulk RNA sequencing and single-cell RNA sequencing(scRNA-seq)have provided insights into cell types and heterogeneity in the respiratory system,the relevant specific spatial localization and cellular interactions have not been clearly *** transcriptomics(ST)has filled this gap and has been widely used in respiratory *** review focuses on the latest iterative technology of ST in recent years,summarizing how ST can be applied to the physiological and pathological processes of the respiratory system,with emphasis on the ***,the current challenges and potential development directions are proposed,including high-throughput full-length transcriptome,integration of multi-omics,temporal and spatial omics,bioinformatics analysis,*** viewpoints are expected to advance the study of systematic mechanisms,including respiratory studies.

关键词： Spatial transcriptomics Lung Tumor Spatial multi-omics

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Biomimetic natural biomaterials for tissue engineering and regenerative medicine:new biosynthesis methods,recent advances,and emerging applications

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Military Medical Research 2024年第1期11卷 50-79页

作者： Shuai Liu Jiang-Ming Yu Yan-Chang Gan Xiao-Zhong Qiu Zhe-chen gao Huan Wang Shi-Xuan chen Yuan Xiong Guo-Hui Liu Si-En Lin Alec McCarthy Johnson V.John Dai-Xu Wei Hong-Hao Hou Guangdong Provincial Key Laboratory of Construction and Detection in Tissue Engineering the Fifth Affiliated HospitalSchool of Basic Medical ScienceSouthern Medical UniversityGuangzhou 510900China Department of Orthopedics Tongren HospitalShanghai Jiao Tong UniversityShanghai 200336China The Eighth Affiliated Hospital Sun Yat-Sen UniversityShenzhen 518033GuangdongChina Engineering Research Center of Clinical Functional Materials and Diagnosis&Treatment Devices of Zhejiang Province Wenzhou InstituteUniversity of Chinese Academy of SciencesWenzhou 325011ZhejiangChina Department of Orthopedics Union HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430022China Department of Orthopaedics and Traumatology Faculty of Medicinethe Chinese University of Hong KongHong Kong SAR 999077China Department of Functional Materials Terasaki Institute for Biomedical InnovationLos AngelesCA 90064USA Mary&Dick Holland Regenerative Medicine Program College of MedicineUniversity of Nebraska Medical CenterOmahaNE 68130USA Zigong Affiliated Hospital of Southwest Medical University Zigong Psychiatric Research CenterZigong Institute of Brain ScienceZigong 643002SichuanChina Key Laboratory of Resource Biology and Biotechnology in Western China Ministry of EducationSchool of MedicineDepartment of Life Sciences and MedicineNorthwest UniversityXi’an 710127China

Biomimetic materials have emerged as attractive and competitive alternatives for tissue engineering(TE)and regenerative *** contrast to conventional biomaterials or synthetic materials,biomimetic scaffolds based on natural biomaterial can offer cells a broad spectrum of biochemical and biophysical cues that mimic the in vivo extracellular matrix(ECM).Additionally,such materials have mechanical adaptability,micro-structure interconnectivity,and inherent bioactivity,making them ideal for the design of living implants for specific applications in TE and regenerative *** paper provides an overview for recent progress of biomimetic natural biomaterials(BNBMs),including advances in their preparation,functionality,potential applications and future *** highlight recent advances in the fabrication of BNBMs and outline general strategies for functionalizing and tailoring the BNBMs with various biological and physicochemical characteristics of native ***,we offer an overview of recent key advances in the functionalization and applications of versatile BNBMs for TE ***,we conclude by offering our perspective on open challenges and future developments in this rapidly-evolving field.

关键词： Biomimic Scaffold Biosynthesis Natural biomaterial Tissue engineering

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