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Electronic structure regulation and built-in electric field synergistically strengthen photocatalytic nitrogen fixation performance on Ti-BiOBr/TiO_(2)heterostructure

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Rare Metals 2024年第3期43卷 1125-1138页

作者： Ru-Qi Li Yu-jie Bian Chun-Ming Yang Li Guo Tao-Xia Ma chuan-Tao Wang Feng Fu Dan-Jun Wang College of Chemistry and Chemical Engineering Yan’an UniversityYan’an Key Laboratory of Green Catalysis and Quality Improvement and Utilization of Low Rank CoalYan’an716000China

At present,industrial synthetic ammonia was still obtained through the Hubble-Bosch process,with large energy *** is a research hotspot to realize green synthetic ammonia by using solar *** difficulty of photocatalytic ammonia synthesis was that the photo-excited electrons have not enough energy to active N≡*** this study,Ti was doped into BiOBr by one-step hydrothermal method,which was oxidized into TiO_(2)when the doping amount reaches the maximum,in situ forming Ti_(0.31)B_(0.69)OB/TiO_(2)*** from the synergistic effect of Ti doping and S-scheme heterojunction,the synthetic ammonia efficiency of Ti_(0.31)B_(0.69)OB/TiO_(2)-11.96 reached 1.643 mmol·g_(cat)^(-1)at mild conditions and without hole scavenger for up to 7 h,the efficiency of synthetic ammonia is 115 times,10.5 times and 3.3 times of that of BiOBr,Ti_(0.31)B_(0.69)OB and TiO_(2),***,DFT calculation confirms that Ti doping accurately refine the electronic structure of BiOBr,facilitate nitrogen adsorption activation and reduce hydrogenation reaction energy barrier,thus accelerating the reaction kinetics of photocatalytic nitrogen reduction(NRR),Meanwhile,constructing S-scheme heterojunction boosts the separation and transfer of photogenerated electron-hole pairs,improving the reduction ability of electrons in the conduction band of TiO_(2)and the oxidation ability of holes in the valence band of Ti_(0.31)B_(0.69)OB.

关键词： S-scheme heterostructure Electronic structure regulation Built-in electric field Synergistical stren4gthening Photocatalytic nitrogen fixation

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Resolving the geometric structure of trastuzumab by mobility capillary electrophoresis and native mass spectrometry

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Chinese Chemical Letters 2024年第3期35卷 221-225页

作者： Wenjing Zhang jie hong Lei Yang Zuqiang Xu Yu Xiang Wei Xu School of Life Science Beijing Institute of TechnologyBeijing 100081China

Available online Immunoglobulins G(IgGs)are Y-shaped globular proteins,however,their high flexibility and heterogeneity pose great challenges to their structure and conformation *** structure of IgG closely correlates to its biofunctions,such as the antibody escape of human immunodeficiency virus(HIV)could attribute to the distance mismatch between the ends of two Fab arms(antigen-binding sites)and envelope glycoprotein spikes on virion ***,we report the first use of mobility capillary electrophoresis(MCE)and native mass spectrometry(nMS)to resolve the internal geometric structure and conformation of an IgG(trastuzumab)in solution *** proteolysis,the ellipsoid dimensions of IgG and its subunits were measured by MCE-nMS *** was then reconstructed,in which the sizes and relative positions of these three subunits in three-dimensional space were *** was found that the two Fab arms have an angle of~102.1°and a distance of~11.0 nm between the two antigen-binding sites under native condition,and the Fc arm was tilted~16.0°towards one of the Fab *** was not on the plane of Fab-Fab,but has an angle of no larger than 103.1°.Under acidic environment(pH 3.0),each subunit of the IgG would unfold into larger dimensions,and the angles between these subunits also *** great potential for tumor imaging and therapy,the structure of F(ab')_(2)fragments was also measured and validated by molecular dynamic *** was found that the electrostatic force among these three subunits and steric hindrance stemming from Fc help maintaining the angle between two Fab arms.

关键词： Native mass spectrometry Mobility capillary electrophoresis Trastuzumab Protein structure Geometric structure

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Influence of Heat-setting Temperature on the Microporous Structure and Properties of PP/HDPE Bilayer Microporous Membranes

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Chinese Journal of Polymer Science 2024年第8期42卷 1243-1252页

作者： jie Xie Yong-Shi Wu Jia-Yi Xie Rui-jie Xu Cai-hong Lei Sai-Nan Song Guang-Quan Li An-Ping Huang School of Materials and Energy Guangdong University of TechnologyGuangzhou 510006China Lanzhou Petrochemical Research Center Petrochemical Research InsititutePetroChinaLanzhou 730060China School of Chemistry and Civil Engineering Shaoguan CollegeShaoguan 512005China

Due to the mechanical stability of PP layer,the PP/HDPE double-layer microporous mem brane could be prepared at a higher heat-setting temperatu re than that of PE monolayer *** this work,the effects of heat-setting temperature on the pore structure and properties of PP/HDPE dou ble-layer membrane were *** the increase of heat-setting temperature from 120℃to 130℃,the length of connecting bridge crystal and crystallinity in the PE layer increase due to the melting of thin lamellae and the stability of connecting bridge structure during *** corresponding air permeability,po rosity,wetta bility of liquid electrolyte and mechanical property of the heat-set microporous membrane increase,exhibiting better electrochemical ***,when the heat-setting temperature is further increased to 140℃,higher than the melting point of PE resin,some pores are closed since the lamellae and connecting bridges melt and shrink during heat-setting,resulting in a decrease of air permeability and *** contrast,there is negligible change in the PP layer within the above heat-setting temperature *** study successfully builds the relationship between the stable pore structure and property of microporous membrane during heat-setting,which is helpful to guide the production of high-pe rformance PP/PE/PP lithium batteries separator.

关键词： PP/HDPE bilayer microporous membranes Heat-setting temperature SAXS

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Damping capacity of Fe_(83)Ga_(17) magnetostrictive alloy under magnetic field

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Rare Metals 2024年第1期43卷 402-409页

作者： Shao-Wen Yan Xing Mu Bing-jie Liu Li-hong Xu Shi-Hai Guo Yan Qi hong-Ping Zhang Department of Functional Material Research Central Iron and Steel Research InstituteBeijing 100081China

The damping performance of Fe_(83)Ga_(17) alloys has been investigated in the static magnetic field (H). The results demonstrate that the damping peak value can be adjusted between 0.020 and 0.085 under the magnetic f... 详细信息

关键词： alloy magnetic alloys

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Carbon-coated hybrid crystals with fast electrochemical reaction kinetics for ultra-stable and high-load sodium-ion batteries

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Rare Metals 2024年第2期43卷 647-657页

作者： chuan Ou Ming-Dong Tan Zhen-Bang Li Zhao-jie Li Fei Tian Zheng-Ping Qiao Dan-Ni Lei Cheng-Xin Wang State Key Laboratory of Optoelectronic Materials and Technologies School of Materials Science and EngineeringSun Yat-Sen UniversityGuangzhou510275China

Owing to its high theoretical capacity and low cost,Sn has attracted significant attention in sodium-ion ***,the slow kinetics of electrochemical reactions and the rapid decay of capacity resulting from drastic changes in the volume of Sn,as well as persistent side reactions between Sn and the organic electrolyte during the(de)sodium process,have limited its *** improve the electrochemical performance of Sn-based materials,the bottom-up method is normally used to prepare carbon-coated ***,its complex preparation processes and harsh conditions make it unsuitable for practical ***,a carbon-coated hybrid crystal composite(Sn/SnO_(x)@C)was prepared using an up-bottom method with commercial Sn/SnO *** effects accelerate the electrochemical kinetics and inhibit the coarsening of Sn *** Sn/SnO_(x)@C composite electrode exhibited capacity retention of 80.7%even after approximately 1000 cycles(360.4 mAh·g^(−1)) at a current density of 1 A·g^(−1).The high-load Na_(3)V_(2)(PO4)3||Sn/SnO_(x)@C full cell presents a capacity retention rate of 91.7%after 150 cycles at the current density of 0.5 A·g^(−1).This work may significantly accelerate the commercialization of the Sn/SnO_(x)@C composite in sodium-ion batteries with high energy density.

关键词： Sodium-ion batteries(SIBs) Sn-based anode Ultraviolet curing Up-bottom method

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Probabilistic back-analysis of rainfall-induced landslides for slope reliability prediction with multi-source information

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第9期16卷 3575-3594页

作者： Shui-Hua Jiang hong-Hu jie Jiawei Xie Jinsong Huang chuang-Bing Zhou School of Infrastructure Engineering Nanchang UniversityXuefu Road 999Nanchang330031China Discipline of Civil Surveying and Environmental EngineeringFaculty of Engineering and Built EnvironmentThe University of NewcastleCallaghanNSW2308Australia

Probabilistic back-analysis is an important means to infer the statistics of uncertain soil parameters,making the slope reliability assessment closer to the engineering ***,multi-source information(including test data,monitored data,field observation and slope survival records)is rarely used in current probabilistic *** the probabilistic back-analysis of spatially varying soil parameters and slope reliability prediction under rainfalls by integrating multi-source information is a challenging task since thousands of random variables and high-dimensional likelihood function are usually *** this paper,a framework by integrating a modified Bayesian Updating with Subset simulation(mBUS)method with adaptive Conditional Sampling(aCS)algorithm is established for the probabilistic back-analysis of spatially varying soil parameters and slope reliability *** this framework,the high-dimensional probabilistic back-analysis problem can be easily tackled,and the multi-source information(*** pressure heads and slope survival records)can be fully used in the back-analysis.A real Taoyuan landslide case in Taiwan,China is investigated to illustrate the effectiveness and performance of the established *** findings show that the posterior knowledge of soil parameters obtained from the established framework is in good agreement with the field ***,the updated knowledge of soil parameters can be utilized to reliably predict the occurrence probability of a landslide caused by the heavy rainfall event on September 12,2004 or forecast the potential landslides under future rainfalls in the Fuhsing District of Taoyuan City,Taiwan,China.

关键词： Rainfall-induced landslide Spatial variability Probabilistic back-analysis Slope reliability analysis Bayesian updating

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Grain boundary engineering for enhancing intergranular damage resistance of ferritic/martensitic steel P92

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Nuclear Science and Techniques 2024年第5期35卷 186-199页

作者： Lei Peng Shang-Ming Chen Jing-Yi Shi Yong-jie Sun Yi-Fei Liu Yin-Zhong Shen hong-Ya He Hui-Juan Wang jie Tian State Key Laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefei 230026China School of Nuclear Science and Technology University of Science and Technology of ChinaHefei 230027China School of Materials Engineering Shanghai University of Engineering Science333 Long Teng RoadShanghai 201620China Experimental Center of Engineering and Material Science University of Science and Technology of ChinaHefei 230026China

Ferritic/martensitic(F/M)steel is widely used as a structural material in thermal and nuclear power ***,it is susceptible to intergranular damage,which is a critical issue,under service *** this study,to improve the resistance to intergranular damage of F/M steel,a thermomechanical process(TMP)was employed to achieve a grain boundary engineering(GBE)microstructure in F/M steel *** TMP,including cold-rolling thickness reduction of 6%,9%,and 12%,followed by austenitization at 1323 K for 40 min and tempering at 1053 K for 45 min,was applied to the as-received(AR)P92 *** prior austenite grain(PAG)size,prior austenite grain boundary character distribution(GBCD),and connectivity of prior austenite grain boundaries(PAGBs)were *** to the AR specimen,the PAG size did not change *** fraction of coincident site lattice boundaries(CSLBs,3≤Σ≤29)and Σ3^(n) boundaries along PAGBs decreased with increasing reduction ratio because the recrystallization fraction increased with increasing reduction *** PAGB connectivity of the 6%deformed specimen slightly deteriorated compared with that of the AR ***,potentiodynamic polarization studies revealed that the intergranular damage resistance of the studied steel could be improved by increasing the fraction of CSLBs along the PAGBs,indicating that the TMP,which involves low deformation,could enhance the intergranular damage resistance.

关键词： Grain boundary engineering Ferritic/martensitic steel Prior austenite grain boundary character distribution Grain boundary connectivity Intergranular damage resistance

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Magnetic Fields Reduce Apoptosis by Suppressing Phase Separation of Tau-441

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Research 2024年第1期2023卷 181-197页

作者： Wen-Juan Lin Wen-Pu Shi Wan-Yi Ge Liang-Liang Chen Wei-hong Guo Peng Shang Da-chuan Yin Key Laboratory for Space Bioscience and Biotechnology School of Life SciencesNorthwestern Polytechnical University127 Youyixi RoadXi'an 710072ShaanxiPR China

The biological effects of magnetic fields(MFs)have been a controversial ***,in recent years,there has been increasing evidence that MFs do affect biological ***,the physical mechanism remains ***,we show that MFs(16 T)reduce apoptosis in cell lines by inhibiting liquid–liquid phase separation(LLPS)of Tau-441,suggesting that the MF effect on LLPS may be one of the mechanisms for understanding the“mysterious”magnetobiological *** LLPS of Tau-441 occurred in the cytoplasm after induction with *** phase-separated droplets of Tau-441 recruited hexokinase(HK),resulting in a decrease in the amount of free HK in the *** cells,HK and Bax compete to bind to the voltage-dependent anion channel(VDAC I)on the mitochondrial membrane.A decrease in the number of free HK molecules increased the chance of Bax binding to VDAC I,leading to increased Bax-mediated *** the presence of a static MF,LLPS was marked inhibited and HK recruitment was reduced,resulting in an increased probability of HK binding to VDAC I and a decreased probability of Bax binding to VDAC I,thus reducing Bax-mediated *** findings revealed a new physical mechanism for understanding magnetobiological effects from the perspective of *** addition,these results show the potential applications of physical environments,such as MFs in this study,in the treatment of LLPS-related diseases.

关键词： inhibited Apoptosis finding

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In-situ coating and surface partial protonation co-promoting performance of single-crystal nickel-rich cathode in all-solid-state batteries

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Journal of Energy Chemistry 2024年第2期89卷 137-143,I0005页

作者： Maoyi Yi jie Li Mengran Wang Xinming Fan Bo hong Zhian Zhang Aonan Wang Yanqing Lai School of Metallurgy and Environment Central South UniversityChangsha 410083HunanChina Engineering Research Centre of Advanced Battery Materials The Ministry of EducationChangsha 410083HunanChina Hunan Province Key Laboratory of Nonferrous Value-Added Metallurgy Central South UniversityChangsha 410083HunanChina

The poor electrochemical performance of all-solid-state batteries(ASSBs),which is assemblied by Ni-rich cathode and poly(ethylene oxide)(PEO)-based electrolytes,can be attributed to unstable cathodic interface and poor crystal structure stability of Ni-rich *** coating strategies are previously employed to enhance the stability of the cathodic interface and crystal structure for Ni-rich ***,these methods can hardly achieve simplicity and high efficiency *** this work,polyacrylic acid(PAA)replaced traditional PVDF as a binder for cathode,which can achieve a uniform PAA-Li(LixPAA(0

关键词： Single-crystal LiNi_(0.83)Co_(0.12)Mn_(0.05)O_(2) In-situ coating PAA-Li Partial protonation

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Hydrocarbon gas huff-n-puff optimization of multiple horizontal wells with complex fracture networks in the M unconventional reservoir

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Petroleum Science 2024年第2期21卷 1018-1031页

作者： Hao-chuan Zhang Yong Tang You-Wei He Yong Qin Jian-hong Luo Yu Sun Ning Wang De-Qiang Wang State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Southwest Petroleum UniversityChengdu610500SichuanChina CNPC Research Institute of Petroleum Exploration&Development Beijing100083China Southwest Oil&Gas Field Company PetroChinaChengdu610051SichuanChina State Key Laboratory of Offshore Oil Exploitation CNOOC Research Institute Co.LtdBeijing100027China

The oil production of the multi-fractured horizontal wells(MFHWs) declines quickly in unconventional oil reservoirs due to the fast depletion of natural energy. Gas injection has been acknowledged as an effective method to improve oil recovery factor from unconventional oil reservoirs. Hydrocarbon gas huff-n-puff becomes preferable when the CO_(2) source is limited. However, the impact of complex fracture networks and well interference on the EOR performance of multiple MFHWs is still unclear. The optimal gas huff-n-puff parameters are significant for enhancing oil recovery. This work aims to optimize the hydrocarbon gas injection and production parameters for multiple MFHWs with complex fracture networks in unconventional oil reservoirs. Firstly, the numerical model based on unstructured grids is developed to characterize the complex fracture networks and capture the dynamic fracture ***, the PVT phase behavior simulation was carried out to provide the fluid model for numerical simulation. Thirdly, the optimal parameters for hydrocarbon gas huff-n-puff were obtained. Finally, the dominant factors of hydrocarbon gas huff-n-puff under complex fracture networks are obtained by fuzzy mathematical method. Results reveal that the current pressure of hydrocarbon gas injection can achieve miscible displacement. The optimal injection and production parameters are obtained by single-factor analysis to analyze the effect of individual parameter. Gas injection time is the dominant factor of hydrocarbon gas huff-n-puff in unconventional oil reservoirs with complex fracture networks. This work can offer engineers guidance for hydrocarbon gas huff-n-puff of multiple MFHWs considering the complex fracture networks.

关键词： Unconventional oil reservoir Complex fracture network Hydrocarbon gas huff-n-puff Parameter optimization Numerical simulation

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