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Broadening environmental research in the era of accurate protein structure determination and predictions

Frontiers of Environmental Science & Engineering 2024年第7期18卷 169-178页

作者： Mingda Zhou Tong wang Ke Xu Han wang Zibin Li Wei-xian Zhang Yayi wang State Key Laboratory of Pollution Control and Resources Reuse Shanghai Institute of Pollution Control and Ecological SecurityCollege of Environmental Science and EngineeringTongji UniversityShanghai 200092China Translational Research Institute of Brain and Brain-Like Intelligence Shanghai Fourth People's HospitalSchool of MedicineTongji UniversityShanghai 200434China

The deep-learning protein structure prediction method AlphaFold2 has garnered enormous attention beyond the realm of structural biology,for its groundbreaking contribution to solving the"protein foiding problem"In this perspective,we explore the connection between protein structure studies and environmental research,delving into the potential for addressing specific environmental *** are promising for environmental applications because of the functional diversity endowed by their structural ***,structural studies on proteins with environmental significance remain ***,we present the opportunity to study proteins by advancing experimental determination and deep-learning prediction ***,the latest progress in environmental research via cryogenic electron microscopy is *** allows us to determine the structure of protein complexes in their native state within cells at molecular resolution,revealing environmentally-associated structural *** the remarkable advancements in computational power and experimental resolution,the study of protein structure and dynamics has reached unprecedented depth and *** advancements will undoubtedly accelerate the establishment of comprehensive environmental protein structural and functional *** opportunities for protein engineering exist to enable innovative solutions for environmental applications,such as the degradation of persistent contaminants,and the recovery of valuable metals as well as rare earth elements.

关键词： Environmental proteins Protein structure Cryogenic electron microscopy Protein structure prediction Protein engineering Artificial Intelligence

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Superhydrophilic nickel hydroxide ultrathin nanosheets enable high-performance asymmetric supercapacitors

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Rare Metals 2024年第1期43卷 138-147页

作者： Yi-Ran wang Fei Zhang Jian-Min Gu Xiao-Yu Zhao Ran Zhao Xing wang Tian-Hui Wu Jing wang Ji-Dong wang De-Song wang State Key Laboratory of Metastable Materials Science and Technology(MMST) Hebei Key Laboratory of Applied ChemistryYanshan UniversityQinhuangdao 066004China Department of Food and Pharmaceutical Engineering Suihua UniversitySuihua 152000China School of Chemical Science and Engineering Tongji UniversityShanghai 200092China School of Sciences Hebei University of Science and TechnologyShijiazhuang 050018China

Superhydrophilic surfaces have been applied for supercapacitor;however,during energy storage reaction,how the wettability affects the process of electrochemical reaction specifically is still ***,we demonstrate superhydrophilic surface for promotion of electrochemical reactions by liquid affinity and further explain the mechanism,where the transition of the wettability state caused by the change in surface free energy is the main reason for the obvious increase in specific *** citric acid assistance strategy,an intrinsically hydrophobic Ni(OH)_(2)thick nanosheets(HNHTNs,16 nm)can be transitioned into superhydrophilic Ni(OH)_(2)ultrathin nanosheets(SNHUNs,6.8 nm),where the water contact angle was 0°and the surface free energy increased from 8.6to 65.8 mN·m^(-1),implying *** with HNHTNs,the specific capacitance of SNHUNs is doubled:from 1230 F·g^(-1)(HNHTNs)to 2350 F·g^(-1)(2A·g^(-1))and,even at 20 A·g^(-1),from 833 F·g^(-1)(HNHTNs)to 1670 F·g^(-1).The asymmetric capacitors assembled by SNHUNs and activated carbon show 52.44 Wh·kg^(-1)at 160W·kg^(-1)and excellent stability with~90%retention after5000 cycles(~80%retention after 9500 cycles).The promotion of electrochemical performances is ascribed to the change of surface wettability caused by surface free energy,which greatly increase affinity of electrode to the surrounding liquid environment to reduce the interface resistance and optimize the electron transport path.

关键词： Asymmetric supercapacitor Superhydrophilic interface Transition metal hydroxides Ultrathin nanosheets High specific capacitance

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Analysis of SF6 decomposed products by fibre-enhanced Raman spectroscopy for gas-insulated switchgear diagnosis

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High Voltage 2024年第1期9卷 206-216页

作者： Jianxin wang Weigen Chen Pinyi wang Fu Wan Zhixian Zhang Shoufei Gao Yingying wang School of Electrical Engineering Chongqing UniversityChongqingChina State Key Laboratory of Power Transmission Equipment&System Security and New Technology Chongqing UniversityChongqingChina Institute of Photonics Technology Jinan UniversityGuangzhouChina

Sulphur hexafluoride(SF6)decomposed products analysis is highly critical in the earlystage fault diagnosis of gas-insulated switchgear(GIS).Spectrum technology outperforms traditional methods on non-invasiveness,no sample preparation,and no ***,the authors present an improved fibre-enhanced Raman spectroscopy(FERS)as a comprehensive analytical tool to detect a suite of SF_(6)decomposed products(SO_(2)F_(2),SOF_(2),SO_(2),H_(2)S,CF_(4),OCS,CO_(2),and CO).The FERS approach is combined with two iris diaphragms for spatial filtering and a rear-end reflector for additional Raman signal *** of detection down to 1×10^(−6)–8×10^(−6)are achieved for different SF6 decompositions,and quantification of an undefined multigas,sampled from an 800 kV GIS in service,is realised utilising SF6 as the internal standard gas and with a maximum error of 5.5%.The GIS is diagnosed according to the results and confirmed by an on-site *** authors foresee that this technique will provide a route for trace gas analysis in the power industry.

关键词： SF6 diagnosis fibre

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Achieving exceptionally high strength and rapid degradation rate of Mg-Er-Ni alloy by strengthening with lamellar γ' and bulk LPSO phases

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Journal of Materials Science & Technology 2024年第1期168卷 88-102页

作者： Chaoneng Dai Jingfeng wang Yuanlang Pan Kai Ma Yinhong Peng Ye wang Danqian wang Chunhua Ran Jinxing wang Yanlong Ma College of Chemistry and Chemical Engineering Chongqing UniversityChongqing 401331China College of Materials Science and Engineering Chongqing UniversityChongqing 400044China National Engineering Research Center for Magnesium Alloys Chongqing 400044China College of Materials Science and Engineering Chongqing University of TechnologyChongqing 400054China

As-extruded Mg-Er-Ni alloys with different volume fractions of long-period stacking ordered(LPSO)phase and density of lamellar γ' phase were prepared,and the microstructure,mechanical,and degradation properties were *** the bulk LPSO phase and the lamellar γ' phase,and controlling the dynamic recrystallization processes during deformation by adjusting the volume fraction of LPSO and the density of the γ' phase,a synergistic increase in strength and degradation rate can be *** the one hand,the increase in corrosion rate was related to the increased volume fraction of the bulk LPSO phase and the densities of the lamellar γ' phase,which provide more galvanic ***,high densities of the lamellar γ' phase can provide more corrosion interface by inhibiting the recrystallization process to refine dynamic recrystallized(DRXed)grains during the hot *** the other hand,the ultimate tensile strength(UTS)and tensile yield strength(TYS)of the Mg-Er-Ni alloy increased from 345 and 265 MPa to 514 MPa and 358 MPa,respectively,which was mainly attributed to grain boundary and texture strengthening,bulk LPSO phase and lamellar γ' phase ***,Mg^(-1)4Er-4Ni alloy,which contains the highest volume fraction bulk LPSO phase and the densities of lamellar γ' phase,re-alized a synergistic enhancement of strength and degradation *** UTS,TYS,and degradation rate of Mg^(-1)4Er-4Ni were 514 MPa,358 MPa,and 142.5 mg cm^(-2)h^(-1)(3 wt%KCl solution at 93◦C),*** research provides new insight into developing Mg alloys with high strength and degradation rates for fracturing tool materials in the application of oil and gas exploitation in harsh environments.

关键词： Mg-Er-Ni alloy Lamellarγ'and bulk LPSO phases Rapid degradation rate High strength Mechanical and corrosion mechanism

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Computational Experiments for Complex Social Systems:Integrated Design of Experiment System

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IEEE/CAA Journal of Automatica Sinica 2024年第5期11卷 1175-1189页

作者： Xiao Xue Xiangning Yu Deyu Zhou Xiao wang Chongke Bi Shufang wang Fei-Yue wang College of Intelligence and Computing Tianjin UniversityTianjin 300350China School of Software Shandong UniversityJinan 250101China School of Artificial Intelligence Anhui UniversityHefei 230601China School of Geographic and Environmental Sciences Tianjin Normal UniversityTianjin 300387China Institute of Automation Chinese Academy of Sciences Beijing 100190China

Powered by advanced information industry and intelligent technology,more and more complex systems are exhibiting characteristics of the cyber-physical-social systems(CPSS).And human factors have become crucial in the operations of complex social *** mechanical analysis and social simulations alone are powerless for analyzing complex social *** this backdrop,computational experiments have emerged as a new method for quantitative analysis of complex social systems by combining social simulation(e.g.,ABM),complexity science,and domain ***,in the process of applying computational experiments,the construction of experiment system not only considers a large number of artificial society models,but also involves a large amount of data and *** a result,how to integrate various data,model and knowledge to achieve a running experiment system has become a key *** paper proposes an integrated design framework of computational experiment system,which is composed of four parts:generation of digital subject,generation of digital object,design of operation engine,and construction of experiment ***,this paper outlines a typical case study of coal mine emergency management to verify the validity of the proposed framework.

关键词： artificial system operations

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Multimodal Machine Learning Guides Low Carbon Aeration Strategies in Urban Wastewater Treatment

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Engineering 2024年第5期36卷 51-62页

作者： Hong-Cheng wang Yu-Qi wang Xu wang Wan-Xin Yin Ting-Chao Yu Chen-Hao Xue Ai-Jie wang State Key Laboratory of Urban Water Resource and Environment School of Civil and Environmental EngineeringHarbin Institute of Technology(Shenzhen)Shenzhen 518055China Key Laboratory of Drinking Water Safety and Distribution Technology of Zhejiang Province College of Civil Engineering and ArchitectureZhejiang UniversityHangzhou 310058China

The potential for reducing greenhouse gas(GHG)emissions and energy consumption in wastewater treatment can be realized through intelligent control,with machine learning(ML)and multimodality emerging as a promising ***,we introduce an ML technique based on multimodal strategies,focusing specifically on intelligent aeration control in wastewater treatment plants(WWTPs).The generalization of the multimodal strategy is demonstrated on eight ML *** results demonstrate that this multimodal strategy significantly enhances model indicators for ML in environmental science and the efficiency of aeration control,exhibiting exceptional performance and *** random forest with visual models achieves the highest accuracy in forecasting aeration quantity in multimodal models,with a mean absolute percentage error of 4.4%and a coefficient of determination of *** testing in a full-scale plant reveals that the multimodal model can reduce operation costs by 19.8%compared to traditional fuzzy control *** potential application of these strategies in critical water science domains is *** foster accessibility and promote widespread adoption,the multimodal ML models are freely available on GitHub,thereby eliminating technical barriers and encouraging the application of artificial intelligence in urban wastewater treatment.

关键词： Wastewater treatment Multimodal machine learning Deep learning Aeration control Interpretable machine learning

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Spatial light modulation for femtosecond laser manufacturing:Current developments and challenges

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Science China(Technological Sciences) 2024年第1期67卷 60-72页

作者： ZANG Xue LIU ZiTing XU YiShi wang Yi wang Qing LI ZhenZe wang Lei State Key Laboratory of Integrated Optoelectronics College of Electronic Science and EngineeringJilin UniversityChangchun 130012China State Key Laboratory of Precision Measurement and Instruments Department of Precision InstrumentTsinghua UniversityBeijing 100084China

Since the invention of lasers,spatial-light-modulated laser processing has become a powerful tool for various *** enables multidimensional and dynamic modulation of the laser beam,which significantly improves the processing efficiency,accuracy,and flexibility,and presents wider prospects over traditional mechanical technologies for machining three-dimensional,hard,brittle,or transparent *** this review,we introduce:(1)The role of spatial light modulation technology in the development of femtosecond laser manufacturing;(2)the structured light generated by spatial light modulation and its generation methods;and(3)representative applications of spatial-light-modulated femtosecond laser manufacturing,including aberration correction,parallel processing,focal field engineering,and polarization ***,we summarize the present challenges in the field and possible future research.

关键词： femtosecond laser manufacturing spatial light modulation structured light aberration correction parallel processing focal field engineering polarization control

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Cushioning Performance of a Novel Polyurethane Foam Material Applied in Fragile Packaging

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Acta Mechanica Solida Sinica 2024年第3期37卷 487-497页

作者： Huifeng Xi Chunqiu Guo Jinbiao Yang Xiaogang wang Bowei wang Shiqing Huang Zhiwei wang School of Mechanics and Construction Engineering Jinan UniversityGuangzhou510632China College of Packing Engineering Jinan UniversityZhuhai519070China MOE Key Lab of Disaster Forecast and Control in Engineering Jinan UniversityGuangzhou510632China Foshan Soft Valley Technology Co. Ltd.Foshan528000China

For fragile products,packaging requires cushioning protection to prevent irreversible damage from accidental falls,transportation impacts,and other *** new polyurethane foam(PUF)material demonstrates superior cushioning and vibration isolation performance in practical applications,effectively minimizing damage from *** and vibration experiments were conducted on packages comprising novel PUF,expandable polyethylene,ethylene-vinyl acetate copolymer foam,and *** verify that the new PUF material outperforms in cushioning and vibration isolation,as observed from the acceleration ***,a random vibration analysis of a packaging unit involving different thicknesses of PUF materials and bracelets reveals the enhanced vibration isolation effect within a specific thickness *** vibration results of the bracelet’s outer packaging align closely with finite element simulation results,validating the effectiveness of designing and optimizing the outer *** finite element simulation,deeper understanding and prediction of the bracelet’s vibration response under various conditions is achieved,facilitating optimized packaging design for better protection and vibration damping.

关键词： Flexible polyurethane foam Packaging of fragile goods Nonlinear dynamics Vibration frequency Finite element simulation

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Effects of operating conditions on iron(hydr)oxides evolution and ciprofloxacin degradation in potassium ferrate-ozone stepwise oxidation system

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Journal of Environmental Sciences 2024年第1期135卷 367-378页

作者： Xiaochen Li Yifan wang Ning wang Mei Li Maomao Bai Jingtao Xu Hongbo wang School of Municipal and Environmental Engineering Shandong Jianzhu UniversityJinan 250101China Resources and Environment Innovation Institute Shandong Jianzhu UniversityJinan 250101China

In this study,a stepwise oxidation system of potassium ferrate(K_(2)FeO_(4))combined with ozone(O+3)was used to degrade ciprofloxacin(CIP).The effects of pH and pre-oxidation time of K_(2)FeO_(4) on the evolution of K_(2)FeO_(4) reduction products(iron(hydr)oxides)and CIP degradation were *** was found that in addition to its own oxidation capacity,K_(2)FeO_(4) can also influence the treatment effect of CIP by changing the catalyst *** presence of iron(hydr)oxides effectively enhanced the mineralization rate of CIP by catalyzing *** pH value can influence the content and types of the components with catalytic ozonation effect in iron(hydr)*** K_(2)FeO_(4) pre-oxidation stage can produce more iron(hydr)oxides with catalytic components for subsequent ozonation,but the evolution of iron(hydr)oxides components was influenced by O_(3) *** can also avoid the waste of oxidation capacity owing to the oxidation of iron(hydr)oxides by O_(3) and free *** intermediate degradation products were identified by Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR-MS).Besides,the degradation pathways were *** the degradation products of CIP,the product with broken quinolone ring structure only appeared in the stepwise oxidation system.

关键词： Potassium ferrate reduction products Catalytic ozonation Ciprofloxacin Potassium ferrate pre-oxidation time

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Chemical characteristics of long-term acid rain and its impact on lake water chemistry:A case study in Southwest China

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Journal of Environmental Sciences 2024年第4期138卷 121-131页

作者： Liuyi Zhang Jiawang Shuxiao wang Chunbo wang Fumo Yang Tingzhen Li Chongqing Key Laboratory of Water Environment Evolution and Pollution Control in Three Gorges Reservoir Chongqing Three Gorges UniversityWanzhou 404000China State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China College of Carbon Neutrality Future Technology Sichuan UniversityChengdu 610065China National Engineering Research Center on Flue Gas Desulfurization Chengdu 610065China

The chemical composition of acid rain and its impact on lake water chemistry in Chongqing,China,from 2000 to 2020 were studied in this *** regional acid rain intensity is affected jointly by the acid gas emissions and the neutralization of alkaline *** pH of precipitation experienced three stages of fluctuating decline,continuous improvement,and a slight *** pH showed inflection points in 2010,mainly due to the total control actions of SO_(2)and NO_(x)implemented in *** total ion concentrations in rural areas and urban areas were 489.08μeq/L and 618.57μeq/L,*** top four ions were SO_(4)^(2-),Ca^(2+),NH_(4)^(+)and NO_(3)^(-),which accounted for more than 90%of the total ion concentration,indicating the anthropogenic *** 2010,SO_(4)^(2-)fluctuated greatly while NO_(3)^(-)continued to rise;however,after 2010,both SO_(4)^(2-)and NO_(3)^(-)began to decline rapidly,with the rates of-12.03μeq/(L·year)and-4.11μeq/(L·year).Because the decline rate of SO_(4)^(2-)was 2.91 times that of NO_(3)^(-),the regional acid rain has changed from sulfuric acid rain to mixed sulfuric and nitric acid *** lake water is weakly acidic,with an average pH of 5.86,and the acidification frequency is 30.00%.Acidification of lake water is jointly affected by acid deposition and acid neutralization capacity of lake *** deposition has a profound impact on water acidification,and nitrogen(N)deposition,especially reduced N deposition,should be the focus of future research.

关键词： Acid rain Chemical composition Neutralization Nitrogen deposition Water acidification

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