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First-principles study on the electronic structure of Pb_(10−x)Cu_(x)(PO_(4))_(6)O(x=0,1)

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Journal of Materials Science & Technology 2024年第4期171卷 66-70页

作者： Junwen Lai Jiangxu Li Peitao Liu Yan sun xing-Qiu Chen Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China

Recently,Lee et *** the experimental discovery of room-temperature ambient-pressure super-conductivity in a Cu-doped lead-apatite(LK-99)(arXiv:2307.12008,arXiv:2307.12037).Remarkably,the claimed superconductivity can persist up to 400 K at ambient *** the experimental im-plication,the electronic structure of LK-99 has not yet been ***,we investigate the electronic structures of LK-99 and its parent compound using first-principles calculations,aiming to elucidate the doping effects of *** results reveal that the parent compound Pb_(10)(PO_(4))_(6)O is an insulator,while Cu doping induces an insulator-metal transition and thus volume *** band structures of LK-99 around the Fermi level are featured by a half-filled flat band and a fully-occupied flat *** two very flat bands arise from both the 2p orbitals of 1/4-occupied O atoms and the hybridization of the 3d orbitals of Cu with the 2p orbitals of its nearest-neighboring O ***,we observe four van Hove singularities on these two flat ***,we show that the flat band structures can be tuned by including electronic correlation effects or by doping different *** find that among the considered doping elements(Ni,Cu,Zn,Ag,and Au),both Ni and Zn doping result in the gap opening,whereas Au exhibits doping effects more similar to Cu than *** work establishes a foundation for fu-ture studies to investigate the role of unique electronic structures of LK-99 in its claimed superconducting properties.

关键词： First-principles calculations Density functional theory Electronic structur e Superconductivity Flat bands Strongly correlated electrons

Controlling molecular assembly on time scale:Time-dependent multicolor fluorescence for information encryption

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Chinese Chemical Letters 2024年第7期35卷 336-340页

作者： Zixi Zou Jingyuan Wang Yian sun Qian Wang Da-Hui qu Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center School of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China

Dynamic assembly on time scale is common in biological systems but rare for artificial materials,especially for smart luminescent *** molecular assembly in a spatio-temporal manner and resulting in white-light-including multicolor fluorescence with time-dynamic features remains ***,controlling molecular assembly on time scale is achieved by integrating a pH-responsive motif to a transient alkaline solution which is fabricated by activators(NaOH)and deactivators(esters),leading to automatic assembly on time scale and time-dependent multicolor fluorescence changing from blue to white and *** kinetics of the assembly process is dependent on the ester hydrolysis process,which can be controlled by varying ester concentrations,temperature,initial pH,stirring rate and ester *** dynamic fluorescent system can be further developed for intelligent fluorescent materials such as fluorescent ink,three-dimension(3D)codes and even four-dimension(4D)codes,exhibiting a promising potential for information encryption.

关键词： Supramolecular chemistry Multicolor fluorescence White light emission Time-dependent fluorescence Information encryption

Comparison of life cycle assessment of large-scale biogas projects with different raw materials in China

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International Journal of Agricultural and Biological Engineering 2024年第2期17卷 268-279页

作者： Jiazheng sun Youpei qu Xiaoyi Lyu Xinjie Ding Xinying Miao Mukesh Kumar Awasthi Jingbo qu School of Energy and Environment City University of Hong KongHong Kong 999077China College of Engineering Northeast Agricultural UniversityHarbin 150030China Key Laboratory of Agricultural Renewable Resources Utilization Technology and Equipment in Cold Areas of Heilongjiang Province Harbin 150030China College of Natural Resources and Environment Northwest A&F UniversityYangling 712100Shaanxi China

The anaerobic digestion(AD)disposal of stover and cattle manure is of great significance to the development of low-carbon economy and green energy in China,but it will also have an impact on the environment,and the degree of influence is different for various raw *** this study,life cycle assessment(LCA)methods were applied to analyze and compare the impact of corn stovers biogas projects(CSBP)and dairy manure biogas projects(DMBP)on the environment during the whole operation *** results of inventory analysis were evaluated by ReCiPe2016 Hierarchy(H)mid-point(problem-oriented)and end-point(destruction-oriented)method,*** results showed that the net energy efficiency of CSBP was higher(763.903 kW·h/FU)and the greenhouse gas(GHG)emission reduction of DMBP was more(5541.418 kg CO_(2)-eq/FU).The anaerobic digestion(AD)units have the greatest environmental impacts,and human carcinogenic toxicity is the largest environmental impact category(1.16-1.43 PE).The key to reducing environmental impact is reducing the input of chemical substances and the waste of electric *** CSBP and DMBP have a favorable impact on ecosystem quality and resources,and CSBP is more beneficial to the environment(-10.297 Pt).Co-digestion is an important measure to reduce the environmental damage from biogas *** research results provide theoretical support for the selection of raw materials for large-scale biogas projects in China,provide technical basis for reducing the impact of actual operation on the environment,and promote the resource utilization of agricultural waste and carbon dioxide emission reduction and sequestration.

关键词： life cycle assessment environmental impact assessment large-scale biogas projects bioenergy carbon dioxide emission reduction

Thiol-mediated transportation pathway:an approach for improving tumor penetration of nanomedicines in vivo

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Science China Chemistry 2024年第1期67卷 383-389页

作者： Junjie Zhang Weican sun xing Wang Senyan Chen Jingying Li Huanghao Yang New Cornerstone Science Laboratory Key Laboratory for Analytical Science of Food Safety and Biology(Ministry of Education)College of ChemistryFuzhou UniversityFuzhou 350116China Department of Chemistry and College of Biological Science and Engineering Fuzhou UniversityFuzhou 350116China

Abnormal tumor microenvironment imposes barriers to tumor penetration of nanomedicine,which remains a major challenge for effective ***,we present disulfide-based nanoparticles that actively penetrate deep tumors in vivo through a thiol-mediated transportation *** achieve active tumor accumulation in vivo,disulfide-based nanoparticles are modified with folic acid units(FA-DBNPs).It is gratifying that FA-DBNPs still enter cells via the thiol-mediated pathway,which facilitates transcellular transportation and tumor penetration both in vitro and in ***,FA-DBNPs exhibit GSH concentration-dependent depolymerization characterization,indicating that the GSH level in tumor tissues regulates the penetration depth of *** from these advantages,FA-DBNPs showed potent anti-tumor activity in mouse models,leading to the significant regression of *** current study lays a foundation that thiol-mediated transportation is a promising approach in nanomedicine design for solid tumor therapy.

关键词： deep penetration thiol-mediated pathway transcellular transportation solid tumor

Research progress on short-term mechanical properties of FRP bars and FRP-reinforced concrete beams

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Journal of Traffic and Transportation Engineering(English Edition) 2024年第2期11卷 245-270页

作者： Lili xing Shengjiang sun Kuihua Mei Yiping Guo Zhenhong Yang School of Highway Chang'an UniversityXi'an 710064China

Fiber-reinforced polymer(FRP)bars have been increasingly recognized in the field of civil engineering due to their advantages of light weight,high strength and excellent *** bars can replace steel bars in concrete beams and effectively improve the durability of *** this paper,the literature relevant to the short-term mechanical properties of FRP bars and FRP-reinforced concrete beams was reviewed based on previous studies and practical engineering ***,the mechanical properties of FRP bars were *** types of fibers or steel and fibers can be combined to obtain hybrid fiber-reinforced polymer(HFRP)or steel-fiber composite bars(SFCB)with excellent mechanical performance,*** bond performance and bond-slip model between FRP bars and concrete were *** common bond-slip models were usually used to study the bond performance between carbon fiber-reinforced polymer(CFRP)bars or glass fiber-reinforced polymer(GFRP)bars and concrete,but changing the type of FRP bars will lead to larger ***,the experimental studies,theoretical calculation methods and finite element simulation methods of flexural/shear behavior of FRP-reinforced concrete beams were ***,their applications in practical engineering were discussed and the prospects of further research were *** is pointed out that FRP-reinforced ultra-high performance concrete(UHPC)beams,FRP-reinforced geopolymer concrete(GPC)beams,engineered cementitious composites(ECC)-FRP-reinforced concrete beams,prestressed FRP-reinforced concrete beams and steel/FRP hybrid-reinforced concrete beams can effectively improve the deformation resistance and poor ductility of pure FRP-reinforced concrete beams.

关键词： FRP bars Bond performance Flexural/shear behavior Civil engineering

The influence of silica on reaction rates and molecular hydrogen(H_(2))generation during olivine hydrothermal alteration

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Science China Earth Sciences 2024年第1期67卷 222-233页

作者： Ruifang HUANG Weidong sun xing DING Yusheng ZHAO Yibing LI Xiuqi SHANG CAS Key Laboratory of Ocean and Marginal Sea Geology South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China SUSTech Academy for Advanced Interdisciplinary Studies Southern University of Science and TechnologyShenzhen 518055China Center of Deep Sea Research Institute of OceanologyChinese Academy of SciencesQingdao 266071China State Key Laboratory of Isotope Geochemistry Guangzhou Institute of GeochemistryChinese Academy of SciencesGuangzhou 510640China Institue of Geology Chinese Academy of Geological SciencesBeijing 100037China

Hydrothermal alteration of olivine greatly influences geodynamics and the recycling of volatiles(such as water and carbon)in subduction *** is an important component of geological fluids,and its influence on the hydrothermal alteration of olivine remains poorly *** this study,we performed experiments at 300–515℃ and 3.0 kbar(1 bar=10^(5)Pa)by reacting well homogenized mixtures of olivine and silica powders with saline solutions(0.5 mol L^(−1)NaCl).Silica greatly influences the reaction pathways,reaction rates,and molecular hydrogen(H_(2))formation during olivine hydrothermal *** experiments at 300℃ and 3.0 kbar with mixtures of olivine and 10 wt%silica,olivine was replaced by serpentine and *** proportions of serpentine and talc were determined according to standard curves based on infrared spectroscopy *** 6.5%serpentine and 12%talc were produced after an experimental duration of 7 days,which had no change after a longer period(14 days).Compared to the kinetics in silica-free systems,the rates of olivine hydrothermal alteration in experiments with 10 wt%silica are much *** overall reaction is:4.5Forsterite+5.5SiO_(2),aq+4H_(2)O=Serpentine+*** the addition of more silica(20 wt%and 40 wt%),olivine was transformed into *** rates of reaction were much faster,e.g.,for experiments with olivine and 20 wt%silica,43%of talc was produced after 14 days,which increased to 77%for experiments with 40 wt%silica over the same *** overall reaction is:3Forsterite+5SiO_(2),aq+2H_(2)O=*** experiments at 400–505℃ and 3.0 kbar,the promoting effect of silica on olivine hydrothermal alteration was also observed,which is closely associated with a decrease in Gibbs free energies of olivine hydrothermal *** 300℃ and 3.0 kbar,silica decreased H_(2)formed during olivine hydrothermal alteration by around an order of magnitude,resulting in an increase in oxygen *** on measured H_(2),we calibrated ox

关键词： Olivine hydrothermal alteration Silica Serpentinization Hydrogen Serpentine

Lymphatic vessel:origin,heterogeneity,biological functions,and therapeutic targets

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Signal Transduction and Targeted Therapy 2024年第2期9卷 442-478页

作者： Zhaoliang Hu Xushi Zhao Zhonghua Wu Bicheng qu Minxian Yuan Yanan xing Yongxi Song Zhenning Wang Department of Surgical Oncology and General Surgery The First Hospital of China Medical UniversityKey Laboratory of Precision Diagnosis and Treatment of Gastrointestinal Tumors(China Medical University)Ministry of Education155 North Nanjing StreetHeping DistrictShenyang 110001China

Lymphatic vessels,comprising the secondary circulatory system in human body,play a multifaceted role in maintaining homeostasis among various tissues and *** are tasked with a serious of responsibilities,including the regulation of lymph absorption and transport,the orchestration of immune surveillance and *** vessel development undergoes a series of sophisticated regulatory signaling pathways governing heterogeneous-origin cell populations stepwise to assemble into the highly specialized lymphatic vessel ***,as defined by new lymphatic vessels sprouting from preexisting lymphatic vessels/embryonic veins,is the main developmental mechanism underlying the formation and expansion of lymphatic vessel networks in an ***,abnormal lymphangiogenesis could be observed in many pathological conditions and has a close relationship with the development and progression of various *** studies have revealed a set of lymphangiogenic factors and cascades that may serve as the potential targets for regulating abnormal lymphangiogenesis,to further modulate the progression of ***,an increasing number of clinical trials have demonstrated the promising interventions and showed the feasibility of currently available treatments for future clinical *** lymphangiogenic promoters or inhibitors not only directly regulates abnormal lymphangiogenesis,but improves the efficacy of diverse *** conclusion,we present a comprehensive overview of lymphatic vessel development and physiological functions,and describe the critical involvement of abnormal lymphangiogenesis in multiple ***,we summarize the targeting therapeutic values of abnormal lymphangiogenesis,providing novel perspectives for treatment strategy of multiple human diseases.

关键词： therapeutic origin specialized

Runout prediction of potential landslides based on the multi-source data collaboration analysis on historical cases

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China Geology 2024年第2期7卷 264-276页

作者： Jun sun Yu Zhuang Ai-guo xing Guizhou Geology and Mineral Engineering Construction Co. LtdGuiyang 550000China State Key Laboratory of Ocean Engineering Shanghai Jiao Tong UniversityShanghai 200240China

Long runout landslides involve a massive amount of energy and can be extremely hazardous owing to their long movement distance,high mobility and strong destructive *** methods have been widely used to predict the landslide runout but a fundamental problem remained is how to determine the reliable numerical *** study proposes a framework to predict the runout of potential landslides through multi-source data collaboration and numerical analysis of historical landslide ***,for the historical landslide cases,the landslide-induced seismic signal,geophysical surveys,and possible in-situ drone/phone videos(multi-source data collaboration)can validate the numerical results in terms of landslide dynamics and deposit features and help calibrate the numerical(rheological)***,the calibrated numerical parameters can be used to numerically predict the runout of potential landslides in the region with a similar geological setting to the recorded *** of the runout prediction approach to the 2020 Jiashanying landslide in Guizhou,China gives reasonable results in comparison to the field *** numerical parameters are determined from the multi-source data collaboration analysis of a historical case in the region(2019 Shuicheng landslide).The proposed framework for landslide runout prediction can be of great utility for landslide risk assessment and disaster reduction in mountainous regions worldwide.

关键词： Landslide runout prediction Drone survey Multi-source data collaboration DAN3D numerical modeling Jianshanying landslide Guizhou Province Geological hazards survey engineering

Advanced nano-based strategies for mRNA tumor vaccine

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Acta Pharmaceutica Sinica B 2024年第1期14卷 170-189页

作者： Yangqi qu Jingjing Xu Tong Zhang Qinjun Chen Tao sun Chen Jiang Key Laboratory of Smart Drug Delivery(Ministry of Education) Minhang HospitalState Key Laboratory of Medical NeurobiologyDepartment of PharmaceuticsSchool of PharmacyFudan UniversityShanghai 201203China

Tumor vaccine is a promising strategy for cancer immunotherapy by introducing tumor antigens into the body to activate specific anti-tumor immune *** with the technological breakthroughs in genetic engineering and delivery systems,messenger ribonucleic acid(mRNA)technology has achieved unprecedented development and application over the last few years,especially the emergency use authorizations of two mRNA vaccines during the COVID-19 pandemic,which has saved countless lives and makes the world witness the powerful efficacy of mRNA technology in ***,unlike infectious disease vaccines,which mainly induce humoral immunity,tumor vaccines also need to activate potent cellular immunity to control tumor growth,which creates a higher demand for mRNA delivery to the lymphatic organs and antigen-presenting cells(APCs).Here we review the existing bottlenecks of mRNA tumor vaccines and advanced nano-based strategies to overcome those challenges,as well as future considerations of mRNA tumor vaccines and their delivery systems.

关键词： mRNA vaccine Nanoparticle Tumor vaccine Delivery system Stability Targeting Transfection Immunogenicity