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Development of an automated photolysis rates prediction system based on machine learning

Journal of Environmental sciences 2025年第5期151卷 211-224页

作者： Weijun Pan Sunling Gong Huabing Ke Xin Li Duohong Chen Cheng Huang Danlin Song State Key Laboratory of Severe Weather&Key Laboratory of Atmospheric Chemistry of CMA Chinese Academy of Meteorological SciencesBeijing 100081China College of Environmental sciences and Engineering Peking UniversityBeijing 100871China State Environmental Key Laboratory of Reginal Air Quality Monitoring Guangdong Ecological Environmental Monitoring CenterGuangzhou 510308China State Environmental Protection Key Laboratory of Formation and Prevention of the Urban Air Complex Shanghai Academy of Environmental SciencesShanghai 200233China Chengdu Academy of Environmental sciences Chengdu 610072China National Observation and Research Station of Coastal Ecological Environments in Macao Macao Environmental Research InstituteMacao University of Science and TechnologyMacao 999078China

Based on observed meteorological elements,photolysis rates(J-values)and pollutant concentrations,an automated J-values predicting system by machine learning(J-ML)has been developed to reproduce and predict the J-values of O^(1)D,NO_(2),HONO,H_(2)O_(2),HCHO,and NO_(3),which are the crucial values for the prediction of the atmospheric oxidation capacity(AOC)and secondary pollutant concentrations such as ozone(O_(3)),secondary organic aerosols(SOA).The J-ML can self-select the optimal“Model+Hyperparameters”without human *** evaluated results showed that the J-ML had a good performance to reproduce the J-values wheremost of the correlation(R)coefficients exceed 0.93 and the accuracy(P)values are in the range of 0.68-0.83,comparing with the J-values from observations and from the tropospheric ultraviolet and visible(TUV)radiation model in Beijing,Chengdu,Guangzhou and Shanghai,*** hourly prediction was also well performed with R from 0.78 to 0.81 for next 3-days and from 0.69 to 0.71 for next 7-days,*** with O_(3)concentrations by using J-values from the TUV model,an emission-driven observation-based model(e-OBM)by using the J-values from the J-ML showed a 4%-12%increase in R and 4%-30%decrease in ME,indicating that the J-ML could be used as an excellent supplement to traditional numerical *** feature importance analysis concluded that the key influential parameter was the surface solar downwards radiation for all J-values,and the other dominant factors for all J-values were 2-m mean temperature,O_(3),total cloud cover,boundary layer height,relative humidity and surface pressure.

关键词： J-values Automated prediction system Machine learning Short-term prediction O_(3) simulated improvement

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Novel Methodologies for Preventing Crack Propagation in Steel Gas Pipelines Considering the Temperature Effect

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Structural Durability & Health Monitoring 2025年第1期19卷 1-23页

作者： Nurlan Zhangabay Ulzhan Ibraimova Marco Bonopera Ulanbator Suleimenov Konstantin Avramov Maryna Chernobryvko Aigerim Yessengali Department of Architecture and Urban Planning Mukhtar Auezov South Kazakhstan UniversityShymkent160012Kazakhstan Department of Industrial Civil and Road Construction Mukhtar Auezov South Kazakhstan UniversityShymkent160012Kazakhstan Mechanics Sound&Vibration LaboratoryDepartment of Civil EngineeringCollege of EngineeringNational Taiwan UniversityTaipei10617Taiwan Department of Reability&Dynamic Strength A.Pidhornyi Institute of Mechanical Engineering Problems of National Academy of Sciences of UkraineKharkiv61046Ukraine

Using the software ANSYS-19.2/Explicit Dynamics,this study performedﬁnite-element modeling of the large-diameter steel pipeline cross-section for the Beineu-Bozoy-Shymkent gas pipeline with a non-through straight crack,strengthened by steel wire *** effects of the thread tensile force of the steel winding in the form of single rings at the crack edges and the wires with different winding diameters and pitches were also *** results showed that the strengthening was preferably executed at a minimum value of the thread tensile force,which was 6.4%more effective than that at its maximum *** analysis of the inﬂuence of the winding dia-meters showed that the equivalent stresses increased by 32%from the beginning of the crack growth until the wire *** increment in winding diameter decelerated the disclosure of the edge crack and reduced its length by 8.2%.The analysis of the inﬂuence of the winding pitch showed that decreasing the distance between the winding turns also led to a 33.6%reduction in the length of the straight crack and a 7.9%reduction in the maximum stres-ses on the strengthened pipeline *** analysis of the temperature effect on the pipeline material,within a range from-40℃ to+50℃,resulted in a crack length change of up to 5.8%.As the temperature dropped,the crack length *** such a temperature range,the maximum stresses were observed along the cen-tral area of the crack,which were equal to 413 MPa at+50℃ and 440 MPa at-40℃.The results also showed that the presence of the steel winding in the pipeline signiﬁcantly reduced the length of crack propagation up to 8.4 times,depending on the temperature effect and design parameters of *** work integrated the existing methods for crack localization along steel gas pipelines.

关键词： Crack propagation ﬁnite-element internal pressure prestressing steel gas pipeline temperature effect

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In situ construction of Cu(Ⅰ)-Cu(Ⅱ) pairs for efficient electrocatalytic nitrate reduction reaction to ammonia

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Journal of Energy Chemistry 2025年第1期100卷 106-113页

作者： Muyun Zheng Yuchi Wan Leping Yang Shen Ao Wangyang Fu Zhengjun Zhang Zheng-Hong Huang Tao Ling Feiyu Kang Ruitao Lv State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Institute of New Energy Materials and Engineering School of Materials Science and EngineeringFuzhou UniversityFuzhou 350108FujianChina Key Laboratory of Advanced Materials(MOE) School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Key Laboratory for Advanced Ceramics and Machining Technology of ministry of Education Tianjin Key Laboratory of Composite and Functional MaterialsSchool of Materials Science and EngineeringTianjin UniversityTianjin 300072China

Electrocatalytic nitrate reduction reaction (NO_(3)-RR) to ammonia under ambient conditions is expected to be a green process for ammonia synthesis and alleviate water pollution *** report a CuO nanoparticles incorporated on nitrogen-doped porous carbon (CuO@NC) catalyst for NO_(3)-*** of Cu(Ⅱ) is reduced to Cu(Ⅰ) during the NO_(3)-RR process to construct Cu(Ⅰ)-Cu(Ⅱ) pairs,confirmed by in situ X-ray photoelectron spectroscopy (XPS) and Raman *** functional theory (DFT) calculations indicated that the formation of Cu(Ⅰ) could provide a reaction path with smaller energy barrier for NO_(3)-RR,while Cu(Ⅱ) effectively suppressed the competition of hydrogen evolution reaction (HER).As a result,CuO@NC catalyst achieved a Faradaic efficiency of 84.2% at -0.49 V versus reversible hydrogen electrode (RHE),and a NH_(3)yield rate of 17.2 mg h^(-1)mg^(-1)*** -0.79 V ***,higher than the HaberBosch process (<3.4 g h^(-1)g^(-1)cat.).This work may open a new avenue for effective NO_(3)-RR by modulating oxidation states.

关键词： Ammonia synthesis Cu oxidation state Electrochemistry Nitrate reduction In situ XPS

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Dual-role regulator of a novel miR-3040 in photoperiod-mediated wing dimorphism and wing development in green peach aphid

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Insect science 2025年第1期32卷 80-94页

作者： Yun-Hui Zhang Xin Qian Xin Zong Shi-Heng An Shuo Yan Jie Shen College of Plant Protection Henan Agricultural UniversityZhengzhouChina Department of Plant Biosecurity College of Plant ProtectionChina Agricultural UniversityBeijingChina

Wing dimorphism is regarded as an important phenotypic plasticity involved in the migration and reproduction of ***,the signal transduction and regulatory mechanism of wing dimorphism in aphids are still ***,the optimal environmental conditions were first explored for inducing winged offspring of green peach aphid,and the short photoperiod was the most important environmental cue to regulate wing *** to 16 L:8 D photoperiod,the proportion of winged offspring increased to 90%under 8 L:16 D ***,5 differentially expressed microRNAs(miRNAs)in aphids treated with long and short photoperiods were identified using small RNA sequencing,and a novel miR-3040 was identified as a vital miRNA involved in photoperiod-mediated wing *** specifically,the inhibition of miR-3040 expression could reduce the proportion of winged offspring induced by short photoperiod,whereas its activation increased the proportion of winged offspring under long ***,the expression level of miR-3040 in winged aphids was about 2.5 times that of wingless aphids,and the activation or inhibition of miR-3040 expression could cause wing deformity,revealing the dual-role regulator of miR-3040 in wing dimorphism and wing *** summary,the current study identified the key environmental cue for wing dimorphism in green peach aphid,and the first to demonstrate the dual-role regulator of miR-3040 in photoperiod-mediated wing dimorphism and wing development.

关键词： miR-3040 Myzus persicae photoperiod wing development wing dimorphism

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Prominent cycling reversibility and kinetics enabled by CaTiO_(3) protective layer on Zn metal for aqueous Zn-ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 245-258页

作者： Gaeun Lee Yong Nam Ahn Seongjoon So Chanwoo Park Jong-Seong Bae Taehyun Park Il Tae Kim Jaehyun Hur School of Chemical Biologicaland Battery EngineeringGachon UniversitySeongnamGyeonggi 13120Republic of Korea Busan Center Korea Basic Science InstituteBusan 46742Republic of Korea

Aqueous Zn-ion batteries (AZIBs) have received considerable attention owing to their various advantages such as safety,low cost,simple battery assembly conditions,and high ionic ***,they still suffer from serious problems,including uncontrollable dendrite growth,corrosion,hydrogen evolution reaction (HER) from water decomposition,electrode passivation,and unexpected *** creation of a uniform artificial nanocrystal layer on the Zn anode surface is a promising strategy for resolving these ***,we propose the use of a perovskite CaTiO_(3)(CTO) protective layer on Zn(CTO@Zn) as a promising approach for improving the performance of *** CTO artificial layer provides an efficient pathway for Zn ion diffusion towards the Zn metal because of the high dielectric constant (εr=180) and ferroelectric characteristics that enable the alignment of dipole moments and redistribute the Zn^(2+)ions in the CTO *** avoiding the direct contact of the Zn anode with the electrolyte solution,the uneven dendrite growth,corrosion,parasitic side reactions,and HER are mitigated,while CTO retains its mechanical and chemical robustness during ***,CTO@Zn demonstrates an improved lifespan in a symmetric cell configuration compared with bare ***@Zn shows steady overpotential (~68 m V) for 1500 h at 1 mA cm^(-2)/0.5 mA h cm^(-2),excelling bare ***,when paired with the V_(2)O_(5)-C cathode,the CTO@Zn//V_(2)O_(5)-C full battery delivers 148.4 mA h g^(-1)(based on the mass of the cathode) after 300 *** study provides new insights into Zn metal anodes and the development of high-performance AZIBs.

关键词： CaTiO_(3) Artificial layer Dielectric constant Znmetal anode Zinc aqueous battery

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Tailored design of novel Co0-Coδ+dual phase nanoparticles for selective CO2 hydrogenation to ethanol

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Journal of Environmental sciences 2025年第3期149卷 598-615页

作者： Subhasis Das Ganapati D.Yadav Department of Chemical Engineering Institute of Chemical TechnologyNathalal Parekh MargMatunga 400019MumbaiIndia

Catalytic hydrogenation of CO_(2)to ethanol is a promising solution to address the greenhouse gas(GHG)emissions,but many current catalysts face efficiency and cost *** based catalysts are frequently examined due to their abundance,cost-efficiency,and effectiveness in the reaction,where managing the Co^(0)to Co^(δ+)ratio is *** this study,we adjusted support nature(Al_(2)O_(3),MgO-MgAl_(2)O_(4),and MgO)and reduction conditions to optimize this balance of Co^(0)to Co^(δ+)sites on the catalyst surface,enhancing ethanol *** selectivity of ethanol reached 17.9%in a continuous flow fixed bed micro-reactor over 20 mol%Co@MgO-MgAl_(2)O_(4)(CoMgAl)catalyst at 270°C and 3.0 MPa,when reduced at 400°C for 8 *** results coupled with activity analysis confirmed that mild reduction condition(400°C,10%H_(2)balance N_(2),8 h)with intermediate metal support interaction favoured the generation of partially reduced Co sites(Co^(δ+)and Co^(0)sites in single atom)over MgO-MgAl_(2)O_(4)surface,which promoted ethanol synthesis by coupling of dissociative(CHx^(∗))/non-dissociative(CHxO^(∗))intermediates,as confirmed by density functional theory ***,the CoMgAl,affordably prepared through the coprecipitation method,offers a potential alternative for CO_(2)hydrogenation to yield valuable chemicals.

关键词： CO_(2)hydrogenation Ethanol Co-based catalysts Metal support ineraction DFT analysis

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Occurrence of phthalate esters in the yellow and Yangtze rivers of china:Risk assessment and source apportionment

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Journal of Environmental sciences 2025年第3期149卷 628-637页

作者： Qinkui Miao Wenxiang Ji Huiyu Dong Ying Zhang College of Environmental science and Engineering Nankai UniversityTianjin 300350China Key Laboratory of Drinking Water science and Technology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China

Phthalate esters(PAEs),recognized as endocrine disruptors,are released into the environment during usage,thereby exerting adverse ecological *** study investigates the occurrence,sources,and risk assessment of PAEs in surface water obtained from 36 sampling points within the Yellow River and Yangtze River *** total concentration of PAEs in the Yellow River spans from124.5 to 836.5 ng/L,with Dimethyl phthalate(DMP)(75.4±102.7 ng/L)and Diisobutyl phthalate(DiBP)(263.4±103.1 ng/L)emerging as the predominant *** exhibit a pattern of upstream(512.9±202.1 ng/L)>midstream(344.5±135.3 ng/L)>downstream(177.8±46.7 ng/L).In the Yangtze River,the total concentration ranges from 81.9 to 441.6 ng/L,with DMP(46.1±23.4 ng/L),Diethyl phthalate(DEP)(93.3±45.2 ng/L),and DiBP(174.2±67.6 ng/L)as the primary *** levels follow a midstream(324.8±107.3 ng/L)>upstream(200.8±51.8 ng/L)>downstream(165.8±71.6 ng/L)*** should be directed towards the moderate ecological risks of DiBP in the upstream of HH,and both the upstream and midstream of CJ need consideration for the moderate ecological risks associated with Di-n-octyl phthalate(DNOP).Conversely,in other regions,the associated risk with PAEs is either low or *** main source of PAEs in Yellow River is attributed to the release of construction land,while in the Yangtze River Basin,it stems from the accumulation of pollutants in lakes and forests discharged into the *** findings are instrumental for pinpointing sources of PAEs pollution and formulating control strategies in the Yellow and Yangtze Rivers,providing valuable insights for global PAEs research in other major rivers.

关键词： Phthalates Spatial variation Potential sources Risk assessment

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High summer background O_(3)levels in the desert of northwest China

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Journal of Environmental sciences 2025年第5期151卷 516-528页

作者： Xinbing Ren Fang Wang Bayi Wu Shaoting Zhang Lei Zhang Xingjun Zhou Yuanzhe Ren Yongjing Ma Feng Hao Yongli Tian Jinyuan Xin Key Laboratory of Atmospheric Environment and Extreme Meteorology Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China State Key Laboratory of Atmospheric Boundary Layer Physics and Atmospheric Chemistry(LAPC) Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China College of Earth and Planetary sciences University of Chinese Academy of SciencesBeijing 100049China Inner Mongolia Environmental Monitoring Center Alashan Substation 750300China Inner Mongolia Environmental Monitoring Center Hohhot 010011China Laboratory for Supervision and Evaluation of Pollution Reduction and Carbon Reduction in Arid and Semi-Arid Regions Inner Mongolia Environmental Monitoring CenterHohhot 010011China

Generally speaking,the precursors of ozone(O_(3)),nitrogen oxides and volatile organic compounds are very low in desert areas due to the lack of anthropogenic emissions and natural emissions,and thus O_(3)concentrations are relatively ***,high summer background concentrations of about 100μg/m^(3)or 60 ppb were found in the Alxa Desert in the highland of northwest China based on continuous summer observations from 2019 to 2021,which was higher than the most of natural background areas or clean areas in world for summer O_(3)background *** high O_(3)background concentrations were related to surface features and ***-intensity anthropogenic activity areas in desert areas can cause increased O_(3)concentrations or pollution,but also generated O_(3)depleting substances such as nitrous oxide,which eventually reduced the regional O_(3)baseline *** dioxide(NO2)also had a dual effect on O_(3)generation,showing promotion at low concentrations and inhibition at high *** addition,sand-dust weather reduced O_(3)clearly,but O_(3)eventually stabilized around the background concentration values and did not vary with sand-dust particulate matter.

关键词： Alxa Desert O_(3)background concentration Anthropogenic effect Sand-dust weather Northwest China

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Activation of peroxymonosulfate by sustainable biomass-based carbon nanotubes for controlling the spread of plant viruses in water environments

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Journal of Environmental sciences 2025年第3期149卷 99-112页

作者： Jian Tang Yujie Wang JunMa Yujie Chen Ming Chen College of Resources and Environment Yangtze UniversityWuhan 430100China Key Laboratory of Reservoir Aquatic Environment Chongqing Institute of Green and Intelligent TechnologyChinese Academy of SciencesChongqing 400714China Chongqing School University of Chinese Academy of SciencesChongqing 400714China School of Geography and Tourism Chongqing Normal UniversityChongqing 400714China

With the increasing demand for water in hydroponic systems and agricultural irrigation,viral diseases have seriously affected the yield and quality of *** removing plant viruses in water environments,virus transmission can be prevented and agricultural production and ecosystems can be *** so far,there have been few reports on the removal of plant viruses in water ***,in this study,easily recyclable biomass-based carbon nanotubes catalysts were synthesized with varying metal activities to activate peroxymonosulfate(PMS).Among them,the magnetic 0.125Fe@NCNTs-1/PMS system showed the best overall removal performance against pepper mild mottle virus,with a 5.9 log_(10)removal within 1 ***,the key reactive species in the 0.125Fe@NCNTs-1/PMS system is^(1)O_(2),which can maintain good removal effect in real water matrices(river water and tap water).Through RNA fragment analyses and label free analysis,it was found that this system could effectively cleave virus particles,destroy viral proteins and expose their *** capsid protein of pepper mild mottle virus was effectively decomposed where serine may be the main attacking sites by^(1)O_(2).Long viral RNA fragments(3349 and 1642 nt)were cut into smaller fragments(∼160 nt)and caused their *** summary,this study contributes to controlling the spread of plant viruses in real water environment,which will potentially help protect agricultural production and food safety,and improve the health and sustainability of ecosystems.

关键词： Pepper mild mottle virus Removal Plant virus spread Biomass-based carbon nanotubes Water environments

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De novo synthesis of atropisomeric benzofurans via Cu/SPDO complex catalyzed asymmetric formal[3+2]annulation

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science China Chemistry 2025年第1期68卷 174-180页

作者： Fan-Xiao Meng Xing-Yu Wang Ka Lu Ju-Song Yang Fu-Min Zhang Ai-Jun Ma Bao Du Yong-Qiang Tu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000China School of Chemistry and Chemical Engineering Shanghai Jiao Tong UniversityShanghai 200240China School of Biotechnology and Health sciences Wuyi UniversityJiangmen 529020China

Herein,the de novo synthesis of atropisomeric benzofurans through the Cu/spirocyclic-pyrrolidine-oxazoline(SPDO)complex catalyze asymmetric formal[3+2]cycloaddition between quinones and ynamides is explored,producing a range of structurally diverse axially chiral benzofurans in satisfactory yields with good to excellent ***,density functional theory calculations were applied to explain the possible reaction mechanism.

关键词： benzofuran atropisomers novel de novo synthetic strategy asymmetric formal[3+2]cycladdition Cu/SPDO complex DFT calculations

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