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BL03HB: a Laue microdiffraction beamline for both protein crystallography and materials science at SSRF

Nuclear Science and Techniques 2024年第7期35卷 68-78页

作者： Zhi-Jun Wang Si-Sheng Wang Zheng-Huang Su Li yu yu-Zhu Wang Bo Sun Wen Wen xing-yu Gao Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai201210China University of Chinese Academy of Science Beijing100049China

A Laue microdiffraction beamline(BL03HB) was constructed at the Shanghai Synchrotron Radiation Facility(SSRF).This beamline features two consecutive focusing points in two different sectors within its end station, the first dedicated to protein crystallography and the other tailored to materials science applications. Based on a superbend dipole magnet with a magnetic field of 2.29 T, a two-stage focusing design was implemented with two sets of Kirkpatrick-Baez mirrors to achieve a micro white beam as small as 4.2 μ m ×4.3 μ m at the first sector and 0.9 μ m ×1.3 μ m at the second sector in the standard beamline operation mode at SSRF. The X-ray microbeam in the two sectors can be easily switched between monochromatic and white beams by moving a four-bounce monochromator in or out of the light path, respectively. In the protein crystallography sector, white-beam Laue microdiffraction was demonstrated to successfully determine the structure of protein crystals from only a few images of diffraction data collected by a Pilatus 2 M area detector. In the materials science sector,the white-beam Laue diffraction was collected in a reflection geometry using another Pilatus 2 M area detector, which could map the microstructural distribution on the sample surface by scanning the samples. In general, the BL03HB beamline promotes the application of Laue microdiffraction in both protein crystallography and materials science. This paper presents a comprehensive overview of the BL03HB beamline, end station, and the first commission results.

关键词： Crystallography White-beam Laue microdiffraction Beamline Synchrotron

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The impacts of gradually terminating nonpharmaceutical interventions for SARS-CoV-2:A mathematical modelling analysis

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Fundamental Research 2024年第2期4卷 401-411页

作者： Bin Wu yuetian yu xing Lin Feng Medical Decision and Economic Group Department of PharmacyRen Ji HospitalSouth CampusSchool of MedicineShanghai Jiaotong UniversityShanghai 200000China Department of Critical Care Medicine Ren Ji HospitalSchool of MedicineShanghai Jiaotong UniversityShanghai 200001China Department of Health Policy and Management School of Public HealthPeking UniversityBeijing 100191China

With the expansion of vaccination programs,the policy of terminating nonpharmaceutical interventions for preventing the SARS-CoV-2 pandemic should become more *** current study investigated the clinical and economic outcomes of intervention policies combining nonpharmaceutical interventions and vaccination programs for dealing with the SARS-CoV-2 *** agent-based transmission model was adopted that describes how a SARS-CoV-2 virus spreads in the populations of *** model inputs were derived from the literature and expert *** following intervention policies were simulated:no intervention,strict nonpharmaceutical interventions,and nonpharmaceutical interventions for workplace,community,school and home gradually terminated by combining vaccination programs for specified age groups(vaccination age in years:20-60,20-70,20-80,≥20,≥10 and whole population).Cumulative infections and deaths in one calendar year,costs and quality-adjusted life years(QALYs)were *** the vaccination program was taken up in at least the≥20 years age group in all populations,nonpharmaceutical interventions for workplace and community settings could be gradually terminated because the cumulative number of infections was<100 per 100,000 *** ending nonpharmaceutical interventions in school and home settings could not meet the target even when the vaccination program had been taken up in all *** cumulative deaths were used as the endpoint,nonpharmaceutical interventions in workplace,community and school settings could be gradually *** efficacy and coverage have substantial *** nonpharmaceutical interventions in workplace settings could produce the lowest cost when vaccination programs are taken up at least in the≥10 years age group;this method dominates most intervention strategies due to its lower costs and higher *** to our findings,nonpharmaceutical interventions might be gradually terminated

关键词： SARS-CoV-2 Nonpharmaceutical interventions Vaccination program Cumulative infections and deaths Economic outcomes

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Effectiveness of urban distributed runoff model for discharge and water depth calculation in urban drainage pipe networks

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Journal of Hydrodynamics 2024年第3期36卷 582-591页

作者： Yang Zhou Yi-ling Leng peng-yu Wang Shang-hong Zhang yu-long Zhu yu-jun Yi School of Water Resources and Hydropower Engineering North China Electric Power UniversityBeijing102206China State Key Laboratory of Water Environment Simulation School of EnvironmentBeijing Normal UniversityBeijing100875China

Effective urban land-use re-planning and the strategic arrangement of drainage pipe networks can significantly enhance urban flood defense *** at reducing the potential risks of urban flooding,this paper presents a straightforward and efficient approach to an urban distributed runoff model(UDRM).The model is developed to quantify the discharge and water depth within urban drainage pipe networks under varying rainfall intensities and land-use *** Nash efficiency coefficient of UDRM exceeds 0.9,which indicates its high computational efficiency and potential benefit in predicting urban *** prediction of drainage conditions under both current and re-planned land-use types is achieved by adopting different flood recurrence *** findings reveal that the re-planned land-use strategies could effectively diminish flood risk upstream of the drainage pipe network across 20-year and 50-year flood recurrence ***,in the case of extreme rainfall events(a 100-year flood recurrence),the re-planned land-use approach fell short of fulfilling the requirements necessary for flood disaster *** these instances,the adoption of larger-diameter drainage pipes becomes an essential requisite to satisfy drainage ***,the proposed UDRM effectively combines land-use information with pipeline data to give practical suggestions for pipeline modification and land-use optimization to combat urban ***,this methodology warrants further promotion in the field of urban re-planning.

关键词： Stormwater runoff water depth urban distributed runoff model urban drainage pipe networks urban land-use re-planning

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Engineered interface of three-dimensional coralliform NiS/FeS_(2)heterostructures for robust electrocatalytic water cleavage

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Nano Research 2024年第6期17卷 4693-4701页

作者： Xin yu Jing Mei Yeshuang Du Xiaohong Cheng xing Wang Qi Wu State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile UniversityWuhan 430073China Hubei Key Laboratory of Pollutant Analysis&Reuse Technology College of Chemistry and Chemical EngineeringHubei Normal UniversityHuangshi 435002China Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices Hubei University of Arts and ScienceXiangyang 441053China

Heterojunction structures improve the intrinsic activity of electrocatalysts by enhancing the charge transfer between the catalyst and the *** this paper,the NiS/FeS_(2)heterostructured electrocatalyst is fabricated by a simple sulfidation method using an interface engineering strategy to adjust the surface electron density of the *** expected,NiS/FeS_(2)electrocatalyst exhibits superior activity and durable oxygen evolution reaction(OER)stability,requiring only a low overpotential of 183 mV to achieve a current density of 10 mA·cm^(−2)and can be stable for more than 80 h,superior to NiS,FeS_(2)electrocatalyst individually,and precious RuO_(2).Notably,NiS/FeS_(2)is also a good bifunctional electrocatalyst with good overall water splitting performance,and it only requires a voltage 1.56 V to obtain a current density of 10 mA·cm^(−2)for more than 12 ***,the NiS/FeS_(2)hybridization facilitates the formation of coral-like structures,increasing the electrochemical surface area(ECSA)and enhancing the charge transfer efficiency,thus leading to excellent electrocatalytic *** work proposes a constructive strategy for designing efficient electrocatalysts based on interface engineering,and lays a foundation for designing a new class of electrocatalysts.

关键词： NiS/FeS_(2) interface engineering nanorods bifunctional water splitting

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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

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CP violation of baryon decays with Nπrescatterings

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Chinese Physics C 2024年第10期48卷 1-10页

作者： Jian-peng Wang Fu-Sheng yu MOE Frontiers Science Center for Rare Isotopes and School of Nuclear Science and TechnologyLanzhou UniversityLanzhou 730000China

There is a long-standing puzzle that the CP violation(CPV)in the baryon systems has never been wellestablished in experiments,while the CPV of mesons have been observed by *** this paper,we propose thatthe CpV of baryon decays can be generated with the rescatterings of a nucleon and a pion into some final states,i.e Nπ→Nπor Nππ.Benelited by the fruitful data of Nπscatterings,we can model-independently analyse the strongphases of b-baryon decays using the partial wave amplitudes of Nπ*** the most difficult problemof non-perturbative dynamics,it makes a great advantage to predict the CpV of baryon decays with a relatively *** understanding of the decay *** study the processes of∧_(b)^(0)→(pπ^(+)π^(-))h^(-)and(pπ^(0))h^(-)with h=πor *** is found that the global CPV of the above processes in the invariant mass regions of Nπscatterings are at theorder of several *** importantly,the local CPV in some regions of the Dalitz plots can reach the order of 10%,or be even *** the predicted results and the experimental data samples,we strong suggest tomeasure the CPV of∧_(b)^(0)→(pπ^(+)π^(-))K^(-),which has a large possibility to achieve the first observation of CPV in thebaryon system.

关键词： CP violation baryon decays Nπscatterings

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Stochastic Flexibility Evaluation for Virtual Power Plants by Aggregating Distributed Energy Resources

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CSEE Journal of Power and Energy Systems 2024年第3期10卷 988-999页

作者： Siyuan Wang Wenchuan Wu Qizhan Chen Junjie yu peng Wang Department of Electrical Engineering Tsinghua UniversityBeijing 100084China Zhongshan Power Supply Bureau of the Guangdong Power Grid Corporation Zhongshan 528400China Beijing Qingda Gaoke System Control Company Beijing 102208China CSEE IEEE

To manage a large amount of flexible distributed energy resources(DERs)in the distribution networks,the virtual power plant(VPP)is introduced into the *** VPP can optimally dispatch these resources in a cluster manner and provide flexibility for the power system operation as a *** existing studies formulate the equivalent power flexibility of the aggregating DERs as deterministic optimization models without considering their *** this paper,we introduce the stochastic power flexibility range(PFR)and timecoupling flexibility(TCF)to describe the power flexibility of *** this model,both operational constraints and the randomness of the DERs’output are incorporated,and a combined model and data-driven solution is proposed to obtain the stochastic PFR,TCF,and cost function of *** aggregating model can be easily incorporated into the optimization model for the power system operator or market bidding,considering ***,a numerical test is *** results show that the proposed model not only has higher computational efficiency than the scenario-based methods but also achieves more economic benefits.

关键词： Chance constrained optimization combined model and data-driven stochastic power flexibility virtual power plant

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Construction of remote cyano-substituted quaternary carbon centers via nickel-catalyzed migratory hydrocyanation of unconjugated dienes

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Science China Chemistry 2024年第10期67卷 3397-3405页

作者： Yidan xing Rongrong yu Mingdong Jiao Ting Wang Xianjie Fang Key Laboratory of Organosilicon Chemistry and Material Technology of Ministry of Education Key Laboratory of Organosilicon Material Technology of Zhejiang ProvinceCollege of MaterialChemistry and Chemical EngineeringHangzhou Normal UniversityHangzhou 311121China Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Chemistry and Chemical EngineeringShanghai Jiao Tong UniversityShanghai 200240China

The transition-metal-catalyzed migratory functionalization has emerged as a robust protocol for the building of C–C bonds remote from the“initiation”***,a similar strategy for the construction of quaternary carbon centers is still underdeveloped and only a limited number of reports ***,we report a nickel-catalyzed migratory hydrocyanation of unconjugated dienes to construct remote cyano-substituted quaternary carbon *** transformation features exceptional regioselectivity,mild reaction conditions,broad substrate scope and high *** synthetic utility of this method has been highlighted by a series of product derivatizations,and the potential of this transformation has been extended to synthesize TRPV1 antagonist and the key intermediate in the total synthesis of *** functional theory(DFT)studies unveiled that the specific catalytic pocket assumed a significant role in the selective formation of cyano-substituted quaternary carbon centers.

关键词： chain-walking regioselectivity remote cyanation quaternary carbon centers unconjugated dienes

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Floor heave mechanism for gob-side entry retaining with concrete blocks and control method:A case study

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Underground Space 2024年第2期15卷 244-259页

作者： Jiong Wang peng Liu Manchao He Guangyuan yu Huanzhi Tian State Key Laboratory for Geomechanics and Deep Underground Engineering China University of Mining and Technology(Beijing)Beijing 100083China School of Mechanics and Civil Engineering China University of Mining and Technology(Beijing)Beijing 100083China College of Mining Engineering North China University of Science and TechnologyTangshan 063210China

The issue of significant floor heave deformation in gob-side entry retaining has long been a challenging problem in the context of longwall *** paper studies the floor heave failure mechanism and control method for gob-side entry retaining with concrete blocks in Guizhou Faer Coal Mine in *** on Rankine’s earth pressure theory,the effective shear stress equation for the plastic slip of roadway floor is *** deformation mechanism of floor heave in a retaining roadway with a block wall is revealed in this *** new comprehensive control method is proposed,encompassing roof pre-splitting blasting for pressure relief,reinforcing cables for roof control,double directions control bolts for concrete block,and pliability cushion yielding ***3D numerical calculation model is established,which shows that the new method can effectively reduce the average vertical stress peak value of the entity coal floor by 34.6%and significantly reduce the pressure source causing the roadway floor ***,a multi-parameter real-time online monitoring system for mine pressure was designed,and field tests were carried *** results show that the maximum value of roadway floor heave under the new method is 163 mm,reduced by 66.9%,and the roadway floor heave is effectively *** research findings offer a fresh perspective and new ideas for controlling floor heave in mining operations.

关键词： Gob-side entry retaining Floor heave mechanism Plastic slip Control methods Mine pressure monitoring

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Functional decoration on a regenerable bifunctional porous covalent organic framework probe for rapid detection and adsorption of copper ions

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Rare Metals 2024年第2期43卷 758-769页

作者： yu-Long Li Xi-Lang Jin Yi-Ting Ma Jing-Rui Liu Fazal Raziq peng-yuan Zhu Zhi-Feng Deng Hong-Wei Zhou Wei-xing Chen Wen-Huan Huang School of Materials and Chemical Engineering Xi’an Technological UniversityXi’an710021China yulin Boyi-Jingking Research Institute of Industrial Technology Development Research Yulin719054China KAUST Catalysis Center King Abdullah University of Science and Technology23955-6900ThuwalKingdom of Saudi Arabia Key Laboratory of Chemical Additives for China National Light Industry College of Chemistry and Chemical EngineeringShaanxi University of Science and TechnologyXi’an710021China National and Local Joint Engineering Laboratory for Slag Comprehensive Utilization and Environmental Technology School of Materials Science and EngineeringShaanxi University of TechnologyHanzhong723001China

Developing fluorescence porous probe for detecting and eliminating Cu^(2+) contamination in water or biosystem is an essential research project that has attracted considerable ***,improving the fluorescence detecting efficiency while enhancing the adsorption capacity of the porous probe is of great ***,a bifunctional two-dimensional imine-based porous covalent organic framework(TTP-COF)probe was designed and synthesized from 1,3,5-tris(4-aminophenyl)benzene(TAPB)and 2,4,6-Triformylphloroglucinol(TP)***-COF displayed rapid detection of Cu^(2+)(limit of detection(LOD)=10 nmol·L^(−1) while achieving a high adsorption capacity of 214 mg·g^(−1)(pH=6)at room temperature with high reusability(>5 cycles).The key roles and contributions of highπ-conjugate and delocalized electrons in TABP and functional–OH groups in TP were *** importantly,the fluorescence quenching mechanism of TTP-COF was studied by density functional theory theoretical calculations,revealing the crucial role of intramolecular hydrogen bonds among C=N and–OH groups and the blocking of the excited state intramolecular proton transfer process in detecting process of Cu^(2+).

关键词： Covalent organic framework(COF) Excited-state intramolecular proton transfer(ESIPT) Copper ion detection Copper ion adsorption Renewability

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