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Improving photochemical indicators for attributing ozone sensitivities in source apportionment analysis

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Journal of Environmental Sciences 2024年第9期143卷 235-246页

作者： Xiaohui Du Wei tang Zhongzhi Zhang yang Yu yang Li Ling Huang Greg Yarwood Fan Meng Atmospheric Environment Institute Chinese Research Academy of Environmental SciencesBeijing 100012China College of Water Sciences Beijing Normal UniversityBeijing 100857China Asia Center for Air Pollution Research United Nations Environment Programme Asia and the Pacific OfficeNishi-kuNiigata-shi 9502144Japan School of Environmental and Chemical Engineering Shanghai UniversityShanghai 200444China Ramboll NovatoCalifornia 94945USA

Comprehensive Air Quality Model with extensions(CAMx)-Decoupled Direct Method(DDM)simulations of first-order ozone(O_(3))sensitivity to nitrogen oxides(NO_(x))and volatile organic compounds(VOCs)emissions were performed and combined with modelled P_(H_(2)O_(2))/P_(HNO_(3))ratios to obtain a range of thresholds for determining O_(3)-sensitivity regimes for different areas of *** the new threshold ranges for photochemical indicators,the method for determining O_(3)formation in the Ozone Source Apportionment Technology(OSAT)module within CAMx was improved by a dynamically varied threshold of P_(H_(2)O_(2))/P_(HNO_(3))*** O_(3)concentration contributions in the newly added transition regime were apportioned to NO_(x)and VOCs emissions in proportion to the relationship between the P_(H_(2)O_(2))/P_(HNO_(3))ratio and first-order O_(3)*** source contributions of O_(3)concentrations from different emission sectors from June to September 2019 were compared using the original and improved *** results showed that the O_(3)concentration contributions changed significantly in the NO_(x)-limited regime,with a maximum decrease of 21.89%,while the contributions increased by up to 7.57%in the VOC-limited regime,and were within 15μg/m^(3)in the transition *** modified OSAT module enabled a more sophisticated attribution of O_(3)to precursor emissions and may have far-reaching implications for informing O_(3)pollution control policy.

关键词： O_(3) modeling O_(3)-sensitivity regimes Ozone source apportionment technology Photochemical indicators

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Facet effects on bimetallic ZnSn hydroxide microcrystals for selective electrochemical CO2 reduction

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Green Energy & Environment 2024年第8期9卷 1314-1320页

作者： Liu Han Cheng-wei Wang Shan-shan Luo Ying-tang Zhou Bing Li ming Liu School of Chemistry and Chemical Engineering Harbin Institute of Technology National Engineering Research Center for Marine Aquaculture Marine Science and Technology CollegeZhejiang Ocean University

Employing crystal facets to regulate the catalytic properties in electrocatalytic carbon dioxide reduction reaction（eCO2RR） has been well demonstrated on electrocatalysts containing single metals but rarely explored for bimetallic systems. Here, we synthesize Zn Sn（OH）6（ZSO）microcrystals（MCs） with distinct facets and investigate the facet effects in eCO2RR. Electrochemical studies and in situ Fourier Transform Infrared Spectroscopy（in situ-FTIR） reveal that ZSO MCs produce mainly C1 products of HCOOH and CO. The {111} facet of the ZSO MCS exhibits higher selectivity and faradaic efficiency（FE） than that of the {100} facet over a wide range of potentials（-0.9 V ～-1.3 V versus RHE）. Density Functional Theory（DFT） calculations elucidate that the {111} facet is favorable to the adsorption/activation of CO2molecules,the formation of intermediate in the rate-determining step, and the desorption of C1 products of CO and HCOOH molecules.

关键词： ZnSn(OH) 6 Crystal facets Electrochemical carbon dioxide reduction C1 product Density functional theory

P-and SV-wave dispersion and attenuation in saturated microcracked porous rock with aligned penny-shaped fractures

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Petroleum Science 2024年第1期21卷 143-161页

作者： Sheng-Qing Li Wen-Hao Wang Yuan-Da Su Jun-Xin Guo Xiao-ming tang School of Geosciences China University of Petroleum(East China)Qingdao 266580ShandongChina Laoshan National Laboratory Qingdao 266071ShangdongChina Guangdong Provincial Key Laboratory of Geophysical High-resolution Imaging Technology Southern University of Science and TechnologyShenzhen 518055GuangdongChina Department of Earth and Space Sciences Southern University of Science and TechnologyShenzhen 518055GuangdongChina

P-and SV-wave dispersion and attenuation have been extensively investigated in saturated poroelastic media with aligned ***,there are few existing models that incorporate the multiple wave attenuation mechanisms from the microscopic scale to the macroscopic ***,in this work,we developed a unified model to incorporate the wave attenuation mechanisms at different scales,which includes the microscopic squirt flow between the microcracks and pores,the mesoscopic wave-induced fluid flow between fractures and background(FB-WIFF),and the macroscopic Biot's global flow and elastic scattering(ES)from the *** tang's modified Biot's theory and the mixed-boundary conditions,we derived the exact frequency-dependent solutions of the scattering problem for a single penny-shaped fracture with oblique incident P-and *** then developed theoretical models for a set of aligned fractures and randomly oriented fractures using the Foldy *** results indicated that microcrack squirt flow considerably influences the dispersion and attenuation of P-and SV-wave *** coupling effects of microcrack squirt flow with the FB-WIFF and ES of fractures cause much higher velocity dispersion and attenuation for P waves than for SV *** oriented fractures substantially reduce the attenuation caused by the FB-WIFF and ES,particularly for the ES attenuation of SV *** a comparison with existing models in the limiting cases and previous experimental measurements,we validated our model.

关键词： Aligned fractures P-and SV-wave Dispersion and attenuation Microcracked porous background FB-WIFF Elastic scattering Squirt flow

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Artificial intelligence-assisted design of new chemical materials: a perspective

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Science China(Information Sciences) 2024年第8期67卷 334-336页

作者： Feng QIAN Wenli DU Weimin ZHONG yang tang Jingyi LU Key Laboratory of Smart Manufacturing in Energy Chemical Process Ministry of EducationEast China University of Science and Technology

New chemical materials are a fresh category of substances created through chemical reactions or by refining existing materials through secondary processes. By using creative methods, advanced technologies, innovative techniques, and state-of-the-art equipment, these materials(e.g., high-end polyolefin, nano materials) [1] are carefully designed and developed to showcase outstanding performance and unique capabilities beyond what traditional chemical materials can offer [2].

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Predicting submerged vegetation drag with a machine learning-based method

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Journal of Hydrodynamics 2024年第3期36卷 534-545页

作者： Meng-yang Liu Hong-wu tang Sai-yu Yuan Jing Yan College of Water Conservancy and Hydropower Engineering Hohai UniversityNanjing210098China Key Laboratory of Hydrologic-Cycle and Hydrodynamic-System of Ministry of Water Resources Hohai UniversityNanjing210098China

Accurate estimation of the drag forces generated by vegetation stems is crucial for the comprehensive assessment of the impact of aquatic vegetation on hydrodynamic processes in aquatic *** coupling relationship between vegetation layer flow velocity and vegetation drag makes precise prediction of submerged vegetation drag forces particularly *** present study utilized published data on submerged vegetation drag force measurements and employed a genetic programming(GP)algorithm,a machine learning technique,to establish the connection between submerged vegetation drag forces and flow and vegetation *** using the bulk velocity,U,as the reference velocity scale to define the drag coefficient,C_(d),and stem Reynolds number,the GP runs revealed that the drag coefficient of submerged vegetation is related to submergence ratio(H^(*)),aspect ratio(d^(*)),blockage ratio(ψ^(*)),and vegetation density(λ).The relation between vegetation stem drag forces and flow velocity is implicitly embedded in the definition of C_(d).Comparisons with experimental drag force measurements indicate that using the bulk velocity as the reference velocity,as opposed to using the vegetation layer average velocity,U_(v),eliminates the need for complex iterative processes to estimate U_(v)and avoids introducing additional errors associated with U_(v)*** approach significantly enhances the model’s predictive capabilities and results in a simpler and more user-friendly formula expression.

关键词： Drag coefficient genetic programming algorithm submerged vegetation flow resistance cylinder array

Enhancing single-cell encapsulation in droplet microfluidics with fine-tunable on-chip sample enrichment

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Microsystems & Nanoengineering 2024年第1期10卷 149-160页

作者： Tao tang Hao Zhao Shaofei Shen Like yang Chwee Teck Lim Department of Biomedical Engineering National University of Singapore117583 SingaporeSingapore Integrative Sciences and Engineering Programme NUS Graduate SchoolNational University of Singapore119077 SingaporeSingapore Shanxi Key Lab for Modernization of TCVM College of Life ScienceShanxi Agricultural UniversityTaiguShanxi 030801China Institute for Health Innovation&Technology National University of Singapore117599 SingaporeSingapore Mechanobiology Institute National University of Singapore117411 SingaporeSingapore Institute for Digital Molecular Analytics and Science Nanyang Technological University636921 SingaporeSingapore

Single-cell encapsulation in droplet microfluidics is commonly hindered by the tradeoff between cell suspension density and on-chip focusing *** this study,we introduce a novel droplet microfluidic chip to overcome this *** chip comprises a double spiral focusing unit,a flow resistance-based sample enrichment module with fine-tunable outlets,and a crossflow droplet generation *** a low-density cell/bead suspension(2×10^(6) objects/mL),cells/beads are focused into a near-equidistant linear arrangement within the double spiral *** excess water phase is diverted while cells/beads remain focused and sequentially encapsulated in individual *** performance was assessed through numerical simulations and experiments at three flow rates(40,60,80μL/min),demonstrating successful focusing at 40 and 80μL/min for beads and cells,*** addition,both simulation and experimental results revealed that the flow resistance at the sample enrichment module is adjustable by punching different outlets,allowing over 50%of the aqueous phase to be ***8n-based droplet detection algorithms realized the counting of cells/beads in droplets,statistically demonstrating single-cell and bead encapsulation rates of 72.2%and 79.2%,*** the results indicate that this on-chip sample enrichment approach can be further developed and employed as a critical component in single-cell encapsulation in water-in-oil droplets.

关键词： beads outlet sample

Machine Learning-Aided Data Analysis in Single-Protein Conductance Measurement with Electron Tunneling Probes

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Chinese Journal of Chemistry 2024年第1期42卷 67-72页

作者： Yuxin yang Tao Jiang Ye Tian Biaofeng Zeng Longhua tang State Key Laboratoryof Extreme Photonics and Instrumentation College of Optical Science and EngineeringZhejiang University HangzhouZhejiang 310027China Nanhu Brain-computer Interface Institute HangzhouZhejiang 311100China State Key Laboratory of Fluid Power and Mechatronic Systems College of Mechanical EngineeringZhejiang University HangzhouZhejiang 310027China

The electrical tunneling sensors have excellent potential in the next generation of single-molecule measurement and sequencing technologies due to their high sensitivity and spatial resolution *** tunneling signals that have been measured at a high sampling rate may provide detailed molecular *** the extraordinarily large amount of data that has been gathered,it is still difficult to correlate signal transformations with molecular processes,which creates great obstacles for signal *** learning is an effective tool for data analysis that is currently gaining more *** has demonstrated promising results when used to analyze data from single-molecule electrical *** order to extract meaningful information from raw measurement data,we have combined intelligent machine learning with tunneling electrical *** the purpose of analyzing tunneling electrical signals,we investigated the clustering approach,which is a classic algorithm in machine learning.A clustering model was built that combines the advantages of hierarchical clustering and Gaussian mixture model ***,customized statistical algorithms were *** has been proven to efficiently gather molecular information and enhance the effectiveness of data analysis.

关键词： Tunneling sensor Single-molecule measurement Machine learning Single-protein conductance Molecular electrochemistry Nanotechnology Molecular electronics

Sarcocinerenoids A—J,Eight Rare Capnosane-Type and Two New Cage-Type Cembranoids with Promoting Angiogenesis Activity from the South China Sea Soft Coral Sarcophyton cinereum

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Chinese Journal of Chemistry 2024年第8期42卷 815-822页

作者： Yue Mi Yanan yang Xuli tang Xiao Han Guoqiang Li Key Laboratory of Marine Drugs Chinese Ministry of EducationSchool of Medicine and PharmacyOcean University of ChinaQingdaoShandong266003 China Laboratory of Marine Drugs and Biological Products National Laboratory for Marine Science and TechnologyQingdaoShandong266235 China College of Chemistry and Chemical Engineering Ocean University of ChinaQingdaoShandong266100 China

Backgroundand Originality Content,Cembranoids are a structurally diverse class of diterpenoids commonly occurring in marine and terrestrial organisms.(+)-Cembrene was the first reported cembranoid diterpenoid discovered in 1962,l and more than 1400 cembranoid diterpenoids have been identified in the last six decades,[2]Cembranoids are characterized by a 14-membered carbocyclic ring,an isopropyl group and three methyl groups,which form their core carbon *** processes such as oxidation,oxidative rearrangements and transannular cyclizations occur in organisms,leading to the formation of distinctive specialized metabolites such as epoxide,lactone,ester,furan,pyrane and other ringbased cembranoids.[2-3]

关键词： Soft coral Sarcophyton cinereum Capnosane-type cembranoids Absolute configurations Activities Natural products NMR spectroscopy Liquid chromatography X-raydiffraction Chiral resolution

Geochemical Characteristics and Development Significances of Constant and Trace Elements from Coalbed Methane Co-Produced Water:A Case Study of the Shizhuangnan Block,the Southern Qinshui Basin

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Journal of Earth Science 2024年第1期35卷 51-61页

作者： yang Li Shuheng tang Jian Chen Songhang Zhang Zhaodong Xi Key Laboratory of Universities in Anhui Province for Prevention of Mine Geological Disasters Anhui University of Science and TechnologyHuainan 232001China School of Earth and Environment Anhui University of Science and TechnologyHuainan 232001China National Key Laboratory of Petroleum Resources and Engineering China University of PetroleumBeijing 102249China School of Energy Resource China University of GeosciencesBeijing 100083China Key Laboratory of Marine Reservoir Evolution and Hydrocarbon Enrichment Mechanism Ministry of EducationBeijing 100083China Key Laboratory of Strategy Evaluation for Shale Gas Ministry of Land and ResourcesBeijing 100083China

As an unconventional natural gas resource,coalbed methane(CBM)development releases a large amount of CBM wells co-produced *** characteristics of the co-produced water provide an essential foundation for the production dynamics of CBM reservoirs if the impacts of fracturing fluids and other aquifers can be *** the Shizhuangnan Block of the southern Qinshui Basin,constant and trace elements in CBM co-produced water from the wellheads were collected and determined,which is applied to assess water source,fracturing fluid effect,and CBM *** on principle component analysis and hierarchical clustering analysis,the water samples are divided into four *** suggests that different characteristics affected by water-rock interaction,reservoir environment,aquifer recharge,and hydraulic fracturing result in the various ratios of Na^(+)/Cl^(-),alkalinity(HCO_(3)^(-)+CO_(3)^(2-))/Cl^(-)and other specific ***,Cl^(-)is selected as a dividing line for complete fracturing fluid flow back,associated with organic-bound chlorine complexes in the original coal seam *** to constant elements,there is a significant correlation between Li and Sr concentrations and CBM productivity,so templates regarding trace elements can be used to distinguish various sources of the co-produced water.

关键词： coalbad methane CBM co-produced water hydraulic fracturing Qinshui Basin

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