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Electronic structure and spin state regulation of vanadium nitride via a sulfur doping strategy toward flexible zinc-air batteries

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Journal of Energy Chemistry 2024年第2期89卷 239-249,I0007页

作者： Daijie Deng Honghui Zhang Jianchun Wu Xing Tang Min Ling Sihua Dong Li Xu Henan Li Huaming Li Institute for Energy Research Institute of Quantum and Sustainable TechnologySchool of Chemistry and Chemical EngineeringSchool of Materials Science and EngineeringJiangsu Province and Education Ministry Co-Sponsored Synergistic Innovation Center of Modern Agricultural EquipmentJiangsu UniversityZhenjiang 212013JiangsuChina Key Laboratory of Radio Frequency and Micro-Nano Electronics of Jiangsu Province Nanjing 210023JiangsuChina Zhenjiang Kangyuan Electrical Appliance Co. Ltd.Zhenjiang 212013JiangsuChina College of Chemical and Biological engineering Zhejiang UniversityHangzhou 310027ZhejiangChina YTO group Corporation Dongfanghong(Henan)Agricultural Service Technology Co. Ltd.Luoyang 471033HenanChina

Owing to the distinctive structural characteristics,vanadium nitride(VN)is highly regarded as a catalyst for oxygen reduction reaction(ORR)in zinc-air batteries(ZABs).However,VN exhibits limited intrinsic ORR activity due to the weak adsorption ability to O-containing ***,the S-doped VN anchored on N,S-doped multi-dimensional carbon(S-VN/Co/NS-mc)was constructed using the solvothermal and in-situ doping *** sulfur atoms into VN species alters the electron spin state of vanadium in the S-VN/Co/NS-mc for regulating the adsorption energy of vanadium sites to oxygen *** introduced sulfur atoms polarize the V 3d_(z)^(2) electrons,shifting spin-down electrons closer to the Fermi level in the S-VN/Co/***,the introduction of sulfur atoms into VN species enhances the adsorption energy of vanadium sites for oxygen ****OOH dissociation transitions from being unspontaneous on the VN surface to a spontaneous state on the S-doped VN ***,the ORR barrier on the S-VN/Co/NS-mc surface is *** S-VN/Co/NS-mc demonstrates a higher half-wave potential and limiting current density compared to the VN/Co/*** S-VN/Co/NS-mc-based liquid ZABs display a power density of 195.7 m W cm^(-2),a specific capacity of 815.7 m A h g^(-1),and a cycling stability exceeding 250 *** S-VN/Co/NS-mc-based flexible ZABs are successfully employed to charge both a smart watch and a mobile *** approach holds promise for advancing the commercial utilization of VN-based catalysts in ZABs.

关键词： S-doped VN Electronic structures Spin state regulation Oxygen reduction reaction Zinc-air batteries

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Overall Assessment of Heat Transfer for a Rarefied Flow in a Microchannel with Obstacles Using Lattice Boltzmann Method

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工程与科学中的计算机建模(英文) 2024年第1期138卷 273-299页

作者： Siham Hammid Khatir Naima Omolayo M.Ikumapayi Cheikh Kezrane Abdelkrim Liazid Jihad Asad Mokdad Hayawi Rahman Farhan Lafta Rashid Naseer Ali Hussien Younes Menni Laboratory of Development in Mechanics and Materials(LDMM) Zian Achour UniversityDjelfaPB 3117Algeria Department of Technology University Center Salhi Ahmed Naama(Ctr.Univ.Naama)P.O.Box 66Naama45000Algeria Department of Mechanical and Mechatronics engineering Afe Babalola University Ado Ekiti360101Nigeria Departement of Physics Faculty of ScienceAbou Bekr Belkaid UniversityTlemcen13000Algeria Department of Physics Faculty of Applied SciencesPalestine Technical University-KadoorieTulkarmPalestine Aeronautical Technical engineering Al-Farahidi UniversityBaghdad10011Iraq Mechanical engineering Department University of KerbalaKarbala56001Iraq Information and Communication Technology Research group Scientific Research CenterAl-Ayen UniversityThi-QarIraq National University of Science and Technology Dhi QarIraq

The objective of this investigation is to assess the effect of obstacles on numerical heat transfer and fluid flow momentum in a rectangular microchannel(mc).Two distinct configurations were studied:one without obstacles and the other with alternating obstacles placed on the upper and lower *** research utilized the thermal lattice Boltzmann method(LBM),which solves the energy and momentum equations of fluids with the BGK approximation,implemented in a Python coding *** jump and slip velocity conditions were utilized in the simulation for the mc and extended to all obstacle *** study aims to analyze the rarefaction effect,with Knudsen numbers(Kn)of 0.012,0.02,and *** outcomes indicate that rarefaction has a significant impact on the velocity and temperature *** presence of nine obstacles led to slower fluid movement inside the microchannel mc,resulting in faster cooling at the *** mcs with obstacles,the rarefaction effect plays a crucial role in decreasing the Nusselt number(Nu)and skin friction coefficient(Cf).Furthermore,the study demonstrated that the obstacles played a crucial role in boosting fluid flow and heat transfer in the *** findings suggest that the examined configurations could have potential applications as cooling technologies in micro-electro-mechanical systems and microdevice applications.

关键词： Microfluid rarefied flow LBM microchannel Knudsen number numerical simulation

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Zwitterionic ring-opening polymerization of macrocyclic ethyleneoxy-substituted carbonate:Access to cyclic PEG-like polycarbonate

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Chinese Chemical Letters 2024年第3期35卷 282-286页

作者： Jin Huang Jinwen Li Rui Yan Yuanyuan Qu Fengzhen Guo Lei Shen Can-liang Ma Jie Sun Zhenjiang Li Kai Guo State Key Laboratory of Materials-Oriented Chemical engineering College of Biotechnology and Pharmaceutical EngineeringNanjing Tech UniversityNanjing 211816China Institute of Nanjing Advanced Biomaterials&Processing Equipment Lishui Economic Development ZoneNanjing 211299China

The innovation in polymer design to rival conventional polyethylene glycol(PEG)is an important approach to achieving a more sustainable ***,cyclic PEG-like polycarbonates having high molecular weight(4.4–49.5 kg/mol)were enabled through zwitterionic ring-opening polymerization(ZROP)of macrocyclic carbonates(mcs)mediated by N-heterocyclic carbene(NHC).The thermodynamic behavior of polymerization depends on the ring size of *** this process,the ZROP of 11-membered mc was driven by the change of enthalpy(ΔH_(p))which differed from the ZROP of 14-membered mc driven by the entropic change(ΔS_(p)).Cyclic polycarbonates depicted improved thermostability(T_(d5%)≥204℃)and higher glass transition temperatures(T_(g)>–40℃)in comparison to their linear analogues(T_(d5%)≤185℃,T_(g)~–50℃).In addition,the mechanism of ZROP of mc was addressed through computational study.A distinct mechanism of polymerization distinguishable from the well-known NHC-mediated ZROP of cyclic esters was revealed,where the zwitterion from nucleophilic addition to mc,*** intermediate,cannot be ring-opened probably due to the delocalization of negative charge on the carbonate group,but serves as an active center for the *** comparison to PEG,the attained polymer demonstrated comparable hydrophilic and biocompatible properties,as revealed by the results of contact angle and in vitro cytotoxicity studies,suggesting that cyclic polycarbonate hold the promise as the alternative of PEG.

关键词： Zwitterionic ring-opening polymerization Cyclic polycarbonate Macrocycles Tetrahedral intermediate NHC carbene

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Genome-Wide Exploration of the Grape GLR Gene Family and Differential Responses of VvGLR3.1 and VvGLR3.2 to Low Temperature and Salt Stress

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Phyton-International Journal of Experimental Botany 2024年第3期93卷 533-549页

作者： Honghui Sun Ruichao Liu Yueting Qi Hongsheng Gao Xueting Wang Ning Jiang Xiaotong Guo Hongxia Zhang Chunyan Yu The engineering Research Institute of Agriculture and Forestry Ludong UniversityYantai264025China College of Agriculture Ludong UniversityYantai264025China

Grapes,one of the oldest tree species globally,are rich in ***,environmental conditions such as low temperature and soil salinization signiﬁcantly affect grape yield and *** glutamate receptor(GLR)family,comprising highly conserved ligand-gated ion channels,regulates plant growth and development in response to *** this study,11 members of the VvGLR gene family in grapes were identiﬁed using whole-genome sequence *** methods were employed to analyze the basic physical and chemical properties,phylogenetic trees,conserved domains,motifs,expression patterns,and evolutionary *** and collinear analyses revealed that the VvGLRs were divided into three subgroups,showing the high conservation of the grape GLR *** members exhibited 2 glutamate receptor binding regions(GABAb and GluR)and 3-4 transmembrane regions(M1,M2,M3,and M4).Real-time quantitative PCR analysis demonstrated the sensitivity of all VvGLRs to low temperature and salt *** localization studies in Nicotiana tabacum veriﬁed that VvGLR3.1 and VvGLR3.2 proteins were located on the cell membrane and cell ***,yeast transformation experiments conﬁrmed the functionality of VvGLR3.1 and VvGLR3.2 in response to low temperature and salt ***ﬁndings highlight the signiﬁcant role of the GLR family,a highly conserved group of ion channels,in enhancing grape stress *** study offers new insights into the grape GLR gene family,providing fundamental knowledge for further functional analysis and breeding of stress-resistant grapevines.

关键词： Genome-wide identiﬁcation glutamate receptor(GLR)family low temperature stress salt stress grape

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Double-composite rectangular truss bridge and its joint analysis

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Journal of Traffic and Transportation engineering(English Edition) 2015年第4期2卷 249-257页

作者： Yongjian Liu Zhihua Xiong Yalin Luo Gao Cheng Ge Liu Jian Yang School of Highway Chang'an University CCCC First Highway Consultants Co. Ltd. Department of Civil engineering The City College of New York mc laren engineering group

This paper describes a novel composite tubular truss bridge with concrete slab and concrete-filled rectangular chords. With concrete slab plus truss system and joints rein- forced with concrete and Perfobond Leiste rib, double composite truss bridge proved to be a fairly suitable solution in negative moment area. Perfobond Leiste shear connector （PBL） is widely implemented in the composite structure for its outstanding fatigue resistance. In this pilot bridge, Perfobond Leister ribs （PBR） were installed in the truss girder＇s joints, which played double roles as shear connector and stiffener. An erection method and overall bridge structural analysis were then presented. Typical joints in the pilot bridge were selected to analyze the effect of PBR. Investigation of the effect of PBR in concrete- filled tubular joints was elaborated. Comparison has revealed that concrete-filled tubular joints with PBR have much higher constraint capability than joints without PBR. For rect- angular tubular truss, the punching shear force of the concrete filled joint with PBR is approximately 43% larger than that of the joint without PBR. Fatigue performance of the joint installed with PBR was improved, which was found through analysis of the stress concentration factor of joint. The PBR installed in the joints mitigated the stress concen- tration factor in the chord face. Therefore, the advantages of this new type of bridge are demonstrated, including the convenience of construction using rectangular truss, inno- vative concept of structural design and better global and local performances.

关键词： Bridge engineeringComposite truss bridgeloint analysisPerfobond ribConcrete-filled tube

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Evaluation of hydro-mechano-chemical behaviour of bentonite-sand mixtures

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Journal of Rock Mechanics and Geotechnical engineering 2022年第2期14卷 637-652页

作者： Wenjing Sun Cheng Liu Diansen Yang Dean Sun Department of Civil and Energy engineering College of Environmental Science and EngineeringDonghua UniversityShanghai201620China Institute for the Conservation of Cultural Heritage Shanghai UniversityShanghai200444China State Key Laboratory of Geomechanics and Geotechnical engineering Institute of Rock and Soil MechanicsChinese Academy of SciencesWuhan430071China Shanghai Construction group Co. Ltd.Shanghai200080China Department of Civil engineering School of Mechanics and Engineering ScienceShanghai UniversityShanghai200444China

Bentonite-sand mixtures are widely used in engineering barrier of deep geological disposal of high-level radioactive nuclear waste and anti-seepage barrier of civil geotechnical *** the action of groundwater solution infiltration and external stress,the hydro-mechanical(HM)behaviour of bentonitesand mixtures,*** swelling characteristics and permeability,will *** the anti-seepage and filtration effect is weakened or lost,the pollutants will spread to the ***,it is necessary to study the swelling characteristics and permeability of bentonite-sand mixtures under coupled mechanochemical(mc)effect and to establish corresponding prediction *** this reason,swelling tests under salt solution with different concentrations are conducted on pure bentonite and its mixtures with 30%,70%and 90%sand contents,the compression tests are carried out on saturated samples,and the saturated permeability coefficient k of the sample under each load is calculated by Terzaghi’s one-dimensional consolidation *** concepts of true effective stress pe,montmorillonite void ratio em and critical sand content as are introduced to determine the em-pe relationship and finally the k-em relationship of bentonite-sand *** is found that when the sand content aas,the em-pe relationship of the mixture is linear and independent of the salt solution concentration,and when a>as,the em-pe relationship of bentonite-sand mixture is bi-linear with the true effective deviatoric stress pesa as the *** addition,the em-k relationship also shows the linear trend when aas,and the slope of the line increases with the increase of the salt solution *** a>as,the k-em relationship will deviate from the linear ***,the larger the sand content is,the farther the deviation *** the basis of summing the regularity,a model for predicting the HM behaviour of bentonite-sand mixture under the coupled mc effect is proposed.B

关键词： Bentonite-sand mixture Hydro-mechano-chemical(Hmc)behaviour Salt solution True effective stress

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Association of DNA methylation/demethylation with the functional outcome of stroke in a hyperinflammatory state

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Neural Regeneration Research 2024年第10期19卷 2229-2239页

作者： Yubo Wang Ling Zhang Tianjie Lyu Lu Cui Shunying Zhao Xuechun Wang Meng Wang Yongjun Wang Zixiao Li Vascular Neurology Department of NeurologyBeijing Tiantan HospitalCapital Medical UniversityBeijingChina China National Clinical Research Center for Neurological Diseases Beijing Tiantan HospitalCapital Medical UniversityBeijingChina National Center for Healthcare Quality Management in Neurological Diseases Beijing Tiantan HospitalCapital Medical UniversityBeijingChina Chinese Institute for Brain Research BeijingChina Research Unit of Artificial Intelligence in Cerebrovascular Disease Chinese Academy of Medical SciencesBeijingChina Beijing engineering Research Center of Digital Healthcare for Neurological Diseases BeijingChina

Inflammation is closely related to stroke prognosis, and high inflammation status leads to poor functional outcome in stroke. DNA methylation is involved in the pathogenesis and prognosis of stroke. However, the effect of DNA methylation on stroke at high levels of inflammation is unclear. In this study, we constructed a hyperinflammatory cerebral ischemia mouse model and investigated the effect of hypomethylation and hypermethylation on the functional outcome. We constructed a mouse model of transient middle cerebral artery occlusion and treated the mice with lipopolysaccharide to induce a hyperinflammatory state. To investigate the effect of DNA methylation on stroke, we used small molecule inhibitors to restrain the function of key DNA methylation and demethylation enzymes. 2,3,5-Triphenyltetrazolium chloride staining, neurological function scores, neurobehavioral tests, enzyme-linked immunosorbent assay, quantitative reverse transcription PCR and western blot assay were used to evaluate the effects after stroke in mice. We assessed changes in the global methylation status by measuring DNA 5-mc and DNA 5-hmc levels in peripheral blood after the use of the inhibitor. In the group treated with the DNA methylation inhibitor, brain tissue 2,3,5-triphenyltetrazolium chloride staining showed an increase in infarct volume, which was accompanied by a decrease in neurological scores and worsening of neurobehavioral performance. The levels of inflammatory factors interleukin 6 and interleukin-1 beta in ischemic brain tissue and plasma were elevated, indicating increased inflammation. Related inflammatory pathway exploration showed significant overactivation of nuclear factor kappa B. These results suggested that inhibiting DNA methylation led to poor functional outcome in mice with high inflammation following stroke. Further, the effects were reversed by inhibition of DNA demethylation. Our findings suggest that DNA methylation regulates the inflammatory response in stroke

关键词： DNA demethylation DNA methylation DNMT3A functional outcome hyperinflammatory state interleukin neuroinflammation stroke TET2

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Strengthening Mechanisms for Ti-and Nb-Ti-micro-alloyed High-strength Steels

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Journal of Iron and Steel Research(International) 2016年第4期23卷 350-356页

作者： Chuan-feng MENG Yi-de WANG Ying-hui WEI Bin-qing SHI Tian-xie CUI Yu-tian WANG School of Materials Science and engineering Taiyuan University of Technology Technology Center Taiyuan Iron & Steel(Group)Co.Ltd.

The strengthening mechanisms of hot-rolled steels micro alloyed with Ti （ST-TQS00） and Nh Ti （NT TQ500） were investigated by examining the microstructures of steels using optical microscope （OM）, scanning elec tron microscope （SEM） and transmission electron microscope （TEM）. The results revealed ahnost no differences in the solute solution strengthening and fine grained strengthcning of the two steels, whereas the contributions of pre cipitation strengthening and dislocation strengthening were different for ST-TQ500 and NT-TQ500. The measured precipitation strengthening effect of ST-TQ500 was 88 MPa higher than that of NT-TQ500： this difference was pri marily attributed to the stronger precipitation effect of thc Ti-containing nanoscale particles. The dislocation strengthening effect of ST TQ500 was approximately 80 MPa lower than that of NT-TQ500. This is tbought to be related to differences in deformation behavior during the finishing rolling stage; the inhibition of dynamic recrystallization from Nb in NT-TQ500 （Nb-Ti） may lead to higher density of dislocations in the microstructure.

关键词： micro alloying titanium niobium high-strength steel strengthening mechanism

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Numerical evaluation of strength and deformability of fractured rocks

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Journal of Rock Mechanics and Geotechnical engineering 2013年第6期5卷 419-430页

作者： Majid Noorian Bidgoli Zhihong Zhao Lanru Jing Department of Land and Water Resources engineering Engineering Geology and Geophysics Research GroupRoyal Institute of Technology (KTH) Department of Geological Sciences Stockholm University

Knowledge of the strength and deformability of fractured rocks is important for design, construction and stability evaluation of slopes, foundations and underground excavations in civil and mining engineering. However, laboratory tests of intact rock samples cannot provide information about the strength and deformation behaviors of fractured rock masses that include many fractures of varying sizes, orientations and locations. On the other hand, large-scale in situ tests of fractured rock masses are economically costly and often not practical in reality at present. Therefore, numerical modeling becomes necessary. Numerical predicting using discrete element methods(DEM) is a suitable approach for such modeling because of their advantages of explicit representations of both fractures system geometry and their constitutive behaviors of fractures, besides that of intact rock matrix. In this study, to generically determine the compressive strength of fractured rock masses, a series of numerical experiments were performed on two-dimensional discrete fracture network models based on the realistic geometrical and mechanical data of fracture systems from feld mapping. We used the UDEC code and a numerical servo-controlled program for controlling the progressive compressive loading process to avoid sudden violent failure of the models. The two loading conditions applied are similar to the standard laboratory testing for intact rock samples in order to check possible differences caused by such loading conditions. Numerical results show that the strength of fractured rocks increases with the increasing confning pressure, and that deformation behavior of fractured rocks follows elasto-plastic model with a trend of strain hardening. The stresses and strains obtained from these numerical experiments were used to ft the well-known Mohr-Coulomb(mc) and Hoek-Brown(H-B) failure criteria, represented by equivalent material properties defning these two criteria. The results show that bot

关键词： Strength Deformability Fractured rocks Discrete element methods(DEM) Failure criteria

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Degradation of Microcystin-LR by Gas-Liquid Interfacial Discharge Plasma

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Plasma Science and Technology 2013年第12期15卷 1221-1225页

作者：辛青张轶巫开斌 College of Electronic Information Hangzhou Dianzi University School of Environmental Science and engineering Zhejiang Gongshang University Hangzhou Wahaha group Co. Ltd.

In this study, we report on the degradation of microcystin-LR （mc-LR） by gas- liquid interracial discharge plasma. The influences of operation parameters such as average input voltage, electrode distance and gas flow rate are investigated. Experimental results indicate that the input voltage and gas flow rate have positive influences on mc-LR degradation, while the electrode distance has a negative one. After 6 min discharge with 25 kV average input voltage and 60 L/h air aerati by discharge both in on, the degradation rate of mc-LR achieves 75.3%. distilled water and mc-LR solution are measured H202 and 03 generated Moreover, an emission spectroscopy is used as an indicator of the processes that take place on the gas-liquid boundary and inside plasma. Varied types of radicals （O, .OH, CO, 03, etc.） are proved to be present in the gas phase during gas-liquid interfacial discharge.

关键词： gas-liquid interfacial discharge microcystin-LR degradation

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