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Degradation of metoprolol by UV/sulfite as an advanced oxidation or reduction process:The significant role of oxygen

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Journal of environmental sciences 2023年第6期128卷 107-116页

作者： Ying Cao Juan Li Yanxin Zhao Yumeng Zhao Wei Qiu Suyan Pang Jin Jiang Advanced Interdisciplinary Institute of Environment and Ecology Beijing Normal University at ZhuhaiZhuhai 519087China State Key Laboratory of Urban Water Resource and Environment School of EnvironmentHarbin Institute of TechnologyHarbin 150090China Key Laboratory of Songliao Aquatic Environment Ministry of EducationSchool of Municipal and Environmental EngineeringJilin Jianzhu UniversityChangchun 130118China Key Laboratory for City Cluster Environmental Safety and Green Development of the Ministry of Education Institute of Environmental and Ecological EngineeringGuangdong University of TechnologyGuangzhou 510006China Southern Marine Science and Engineering Guangdong Laboratory(Guangzhou) Guangzhou 511458China

The degradation of metoprolol(MTP)by the UV/sulfite with oxygen as an advanced reduction process(ARP)and that without oxygen as an advanced oxidation process(AOP)was comparatively studied *** degradation of MTP by both processes followed the first-order rate law with comparable reaction rate constants of 1.50×10^(-3)sec^(−1)and 1.20×10^(-3)sec^(−1),*** experiments demonstrated that both e^(−)_(aq)and H·played a crucial role in MTP degradation by the UV/sulfite as an ARP,while SO_(4)^(·−)was the dominant oxidant in the UV/sulfite *** degradation kinetics of MTP by the UV/sulfite as an ARP and AOP shared a similar pH dependence with a minimum rate obtained around pH *** results could be well explained by the pH impacts on the MTP speciation and sulfite *** six transformation products(TPs)were identified from MTP degradation by the UV/sulfite ARP,and two additional ones were detected in the UV/sulfite *** benzene ring and ether groups of MTP were proposed as the major reactive sites for both processes based on molecular orbital calculations by density functional theory(DFT).The similar degradation products of MTP by the UV/sulfite process as an ARP and AOP indicated that e^(−)_(aq)/H·and SO_(4)^(·−)might share similar reaction mechanisms,primarily including hydroxylation,dealkylation,and H *** toxicity of MTP solution treated by the UV/sulfite AOP was calculated to be higher than that in the ARP by the Ecological Struc-ture Activity Relationships(ECOSAR)software,due to the accumulation of TPs with higher toxicity.

关键词： UV/sulfite Advanced reduction process(ARP) Advanced oxidation process(AOP) Metoprolol Degradation products Toxicity

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A theoretical and experimental study of deformation mechanism dictated by disclination-dislocation coupling in Mg alloys at different temperatures

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材料科学技术（英文版） 2025年第5期208卷 176-188页

作者： Chunfeng Du Yipeng Gao Yizhen Li Quan Li Min Zha Cheng Wang Hailong Jia Hui-Yuan Wang Key Laboratory of Automobile Materials of Ministry of Education&School of Materials Science and Engineering Nanling CampusJilin UniversityChangchun 130025China Key Laboratory of Automobile Materials of Ministry of Education&School of Materials Science and Engineering Nanling CampusJilin UniversityChangchun 130025China International Center of Future Science Jilin UniversityChangchun 130012China International Center of Future Science Jilin UniversityChangchun 130012China State Key Lab of Superhard Materials and Key Laboratory of Material Simulation Methods&Software of Ministry of Education College of PhysicsJilin UniversityChangchun 130012China Key Laboratory of Automobile Materials of Ministry of Education&School of Materials Science and Engineering Nanling CampusJilin UniversityChangchun 130025China International Center of Future Science Jilin UniversityChangchun 130012China State Key Laboratory of Reliability and Intelligence of Electrical Equipment School of Material Science and EngineeringHebei University of TechnologyTianjin 300130China

Dislocations and disclinations are fundamental topological defects within crystals,which determine the mechanical properties of metals and *** their important roles in multiple physical mecha-nisms,e.g.,dynamic recovery and grain boundary mediated plasticity,the intrinsic coupling and corre-lation between disclinations and dislocations,and their impacts on the deformation behavior of metallic materials still remain obscure,partially due to the lack of a theoretical tool to capture the rotational na-ture of *** using a Lie-algebra-based theoretical framework,we obtain a general equation to quantify the intrinsic coupling of disclinations and *** quasi in-situ electron backscat-ter diffraction characterizations and disclination/dislocation density analyses in Mg alloys,the generation,coevolution and reactions of disclinations and dislocations during dynamic recovery and superplastic de-formation have been quantitatively *** has been demonstrated that the obtained governing equa-tion can capture multiple physical processes associated with mechanical deformation of metals,e.g.,grain rotation and grain boundary migration,at both room temperature and high *** establishing the disclination-dislocation coupling equation within a Lie algebra description,our work provides new insights for exploring the coevolution and reaction of disclinations/dislocations,with profound implica-tions for elucidating the microstructure-property relationship and underlying deformation mechanisms in metallic materials.

关键词： Magnesium alloys Dislocations Grain boundaries Plastic deformation Grain rotation Disclination-dislocation coupling

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Synchronous defect passivation of all-inorganic perovskite solar cells enabled by fullerene interlayer

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Nano Research Energy 2023年第3期2卷 16-24页

作者： Yanbo Shang Pu Wang Lingbo Jia Xingcheng Li Weitao Lian Peisen Qian Muqing Chen Tao Chen Yalin Lu Shangfeng Yang CAS Key Laboratory of Materials for Energy Conversion Anhui Laboratory of Advanced Photon Science and TechnologyDepartment of Materials Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026China School of Environment and Civil Engineering Dongguan University of TechnologyDongguan 523808China

All-inorganic CsPbI_(3-x)Br_(x)perovskite solar cells(PSCs)are advantageous in terms of high thermal stability,while its efficiency lags behind those of organic-inorganic hybrid perovskite *** passivations have been extensively applied for enhancing efficiency of all-inorganic PSCs,which are mainly based on univocal defect passivation of perovskite ***,we incorporated a bis-dimethylamino-functionalized fullerene derivative(abbreviated as PCBDMAM)as an interlayer between ZnO electron transport layer(ETL)and all-inorganic CsPbI_(2.25)Br_(0.75)perovskite layer,accomplishing synchronous defect passivations of both layers and consequently dramatic enhancements of efficiency and thermal stability of PSC *** spin-coating PCBDMAM onto ZnO ETL,the surface defects of ZnO especially oxygen vacancies can be effectively passivated due to the formation of Zn−N ionic *** addition,PCBDMAM incorporation affords effective passivation of Pb_(I)and I_(Pb)antisite defects within the atop perovskite layer as well via coordination bonding with Pb^(2+).As a result,the regular-structure planar CsPbI_(2.25)Br_(0.75)PSC device delivers a champion power conversion efficiency(PCE)of 17.04%,which surpasses that of the control device(15.44%).Moreover,the PCBDMAM-incorporated PSC device maintains~80%of its initial PCE after 600 h heating at 85°C hot plate in N2 atmosphere,whereas PCE of the control device degrades rapidly to~62%after 460 h heating under identical ***,PCBDMAM incorporation benefited dramatic improvement of the thermal stability of PSC device.

关键词： all-inorganic perovskite solar cells fullerene derivative electron transport layer thermal stability defect passivation

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Enhanced degradation of florfenicol by microscale SiC/Fe:Dechlorination via hydrogenolysis

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Chinese Chemical Letters 2024年第7期35卷 218-221页

作者： Yun-Fei Zhang Chun-Hui Zhang Jian-Hui Xu Lei Li Dan Li Jin-Hong Fan Jiale Gao Xin Quan Qi Wu Yue Zou Yan-Ling Liu Dongguan University of Technology School of Environment and Civil EngineeringDongguan 523830China State Key Laboratory of Pollution Control and Resource Reuse School of Environmental Science and EngineeringTongji UniversityShanghai 200092China

Herein,the degradation of florfenicol(FLO)over zero-valent iron(ZVI)enhanced by SiC was systematically *** was found that 5 g/L of ZVI/SiC(1:3)at pH 3.0 could completely degrade 20 mg/L of FLO within 1 h,with a Kobsvalue of 0.0873 min^(-1),12.5 times greater than that of pure ZVI(0.0069 min^(-1)).Vibrating sample magnetometer(VSM)characterizations revealed that the use of SiC supporter reduces the magnetic intensity of ZVI,which mitigates iron particle agglomeration,increases Brunauer-Emmett-Teller(BET)surface area,and enhances FLO degradation ***,ZVI/SiC exhibits a much lower hydrogen evolution potential(HEP)and significantly higher corrosion currents compared to pure *** was proposed to undergo degradation via reductive dechlorination,involving a hydrogenolysis mechanism that entails the cleavage of theσ*** study provides new insights into the reduction hydrogenation mechanism of ZVI.

关键词： Zero-valent iron Silicon carbide Reductive dechlorination Hydrogenolysis Florfenicol

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Deep learning-based software engineering: progress,challenges, and opportunities

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science China(Information sciences) 2025年第1期68卷 57-144页

作者： Xiangping CHEN Xing HU Yuan HUANG He JIANG Weixing JI Yanjie JIANG Yanyan JIANG Bo LIU Hui LIU Xiaochen LI Xiaoli LIAN Guozhu MENG Xin PENG Hailong SUN Lin SHI Bo WANG Chong WANG Jiayi WANG Tiantian WANG Jifeng XUAN Xin XIA Yibiao YANG Yixin YANG Li ZHANG Yuming ZHOU Lu ZHANG School of Journalism and Communication Sun Yat-sen University School of Software Technology Zhejiang University School of Software Engineering Sun Yat-sen University School of Software Dalian University of Technology School of Computer Science and Technology Beijing Institute of Technology Key Laboratory of High Confidence Software Technologies (Peking University) Ministry of EducationSchool of Computer Science Peking University State Key Laboratory for Novel Software Technology Nanjing University School of Computer Science and Engineering Beihang University Institute of Information Engineering Chinese Academy of Sciences School of Computer Science Fudan University State Key Laboratory of Complex & Critical Software Environment (CCSE) School of Software Beihang University School of Computer and Information Technology Beijing Jiaotong University School of Computer Science and Technology Harbin Institute of Technology School of Computer Science Wuhan University Huawei Technologies

Researchers have recently achieved significant advances in deep learning techniques, which in turn has substantially advanced other research disciplines, such as natural language processing, image processing, speech recognition, and software engineering. Various deep learning techniques have been successfully employed to facilitate software engineering tasks, including code generation, software refactoring, and fault localization. Many studies have also been presented in top conferences and journals, demonstrating the applications of deep learning techniques in resolving various software engineering tasks. However,although several surveys have provided overall pictures of the application of deep learning techniques in software engineering,they focus more on learning techniques, that is, what kind of deep learning techniques are employed and how deep models are trained or fine-tuned for software engineering tasks. We still lack surveys explaining the advances of subareas in software engineering driven by deep learning techniques, as well as challenges and opportunities in each subarea. To this end, in this study, we present the first task-oriented survey on deep learning-based software engineering. It covers twelve major software engineering subareas significantly impacted by deep learning techniques. Such subareas spread out through the whole lifecycle of software development and maintenance, including requirements engineering, software development, testing, maintenance, and developer collaboration. As we believe that deep learning may provide an opportunity to revolutionize the whole discipline of software engineering, providing one survey covering as many subareas as possible in software engineering can help future research push forward the frontier of deep learning-based software engineering more systematically. For each of the selected subareas,we highlight the major advances achieved by applying deep learning techniques with pointers to the available datasets i

关键词： deep learning software engineering software benchmark software artifact representation survey

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Recent advances in elaborate interface regulation of BiVO_(4)photoanode for photoelectrochemical water splitting

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Materials Reports(Energy) 2023年第4期3卷 3-18页

作者： Liming Wang Yaping Zhang Weibing Li Lei Wang Key Laboratory of Eco-chemical Engineering International Science and Technology Cooperation Base of Eco-chemical Engineering and Green ManufacturingCollege of Environment and Safety EngineeringQingdao University of Science and TechnologyQingdao266042PR China

Bismuth vanadate(BiVO_(4))is an excellent photoanode material for photoelectrochemical(PEC)water splitting system,possessing high theoretical photoelectrocatalytic conversion ***,the actual PEC activity and stability of BiVO_(4)are faced with great challenges due to factors such as severe charge recombination and slow water oxidation kinetics at the ***,various interface regulation strategies have been adopted to optimize the BiVO_(4)*** review provides an in-depth analysis for the mechanism of interface regulation strategies from the perspective of factors affecting the PEC performance of BiVO_(4)*** interface regulation strategies improve the PEC performance of BiVO_(4)photoanode by promoting charge separation and transfer,accelerating interfacial reaction kinetics,and enhancing *** research on the interface regulation strategies of BiVO_(4)photoanode is of great significance for promoting the development of PEC water splitting *** the same time,it also has inspiration for providing new ideas and methods for designing and preparing efficient and stable catalytic materials.

关键词： Photoelectrochemical water splitting BiVO_(4)photoanode Charge recombination Water oxidation reaction kinetics Interface regulation strategy

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Tuning the exciton binding energy of covalent organic frameworks for efficient photocatalysis

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Chinese Chemical Letters 2024年第2期35卷 577-583页

作者： Zhangjie Gu Zhen Shan Yulan Wang Jinjian Wang Tongtong Liu Xiaoming Li Zhiyang Yu Jian Su Gen Zhang Key Laboratory for Soft Chemistry and Functional Materials of Ministry of Education School of Chemistry and Chemical EngineeringNanjing University of Science and TechnologyNanjing 210094China State Key Laboratory of Photocatalysis on Energy and Environment College of ChemistryFuzhou UniversityFuzhou 350002China MIIT Key Laboratory of Advanced Display Material and Devices School of Materials Science and EngineeringNanjing University of Science and TechnologyNanjing 210094China Key Laboratory of Preclinical Study for New Drugs of Gansu Province School of Basic Medical SciencesLanzhou UniversityLanzhou 730000China

Owing to the large exciton binding energy(>100 meV)of most organic materials,the process of exciton dissociation into free electrons and holes is seriously hindered,which plays a key role in the photocatalytic *** this study,a series of chalcogen(S,Se)-substituted mesoporous covalent organic frameworks(COFs)have been synthesized for enhanced photocatalytic organic *** measurements indicate that the introduction of semi-metallic Se atom and the enlargement of conjugation degree can not only reduce the exciton binding energy accelerating the charge separation,but also reduce the band gap of *** a result,the COF-NUST-36 with the lowest exciton binding energy(39.5 meV)shows the highest photocatalytic performance for selective oxidation of amines(up to 98%*** 97.5%Sel.).This work provides a feasible method for designing COFs with high photocatalytic activity by adjusting exciton binding energy.

关键词： Covalent organic frameworks Exciton binding energy Atom substitution Extended conjugation Photocatalysis

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Software fault localization based on eigenvector centrality in complex network theory 24

Software fault localization based on eigenvector centrality ...

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24th IEEE International Conference on Software Quality, reliability and Security Companion, QRS-C 2024

作者： Wu, Wentao Wang, Shihai Shao, Yuanxun Xie, Wandong School of Reliability and Systems Engineering Beihang University Beijing100191 China Science and Technology on Reliability and Environmental Engineering Laboratory China State Key Laboratory of Software Development Environment China Aerospace Science and Engineering Network Information Development CO. Ltd Beijing China Information Center of China North Industries Group Corporation Beijing China

ISBN: (纸本)9798350365658

Software debugging plays a crucial role in fault localization tasks, and spectrum-based fault localization (SBFL) is a hot topic in software automation debugging research. However, existing SBFL technologies are generally limited by tie within ranks, where a large number of elements share the same suspiciousness, which in turn severely limits the performance of SBFL. To this end, we propose an SBFL model based on eigenvector centrality (FLEC). This algorithm first utilizes the statement coverage information in the program spectrum to construct a statement network, and adopts the correlation between statements as edge weights. Then, FLEC takes statement suspiciousness as node weight. On this basis, the algorithm utilizes the eigenvector centrality to calculate the weighted suspiciousness of each statement while considering both node importance and correlation between nodes. Finally, FLEC conducted experimental validation on 3 datasets of Defects4J, and the results showed an average improvement of 10.7% in ACC@N compared to the optimal baseline. © 2024 IEEE.

关键词： Program debugging

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In-situ synthesis of Z-scheme CeO_(2)@WO_(3) heterojunction with aromatic rings as electron medium for efficient photocatalytic degradation of perfluorobutane sulfonate

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Journal of Rare Earths 2025年第3期43卷 470-479,I0002页

作者： Shihai Cao Haocheng Yang Cheng Cheng Jinheng Dai Shuaishuai Lu Yao Lu College of Environmental Engineering Nanjing Institute of TechnologyNanjing211167China Jiangsu Environmental Engineering Technology Co. Ltd.Nanjing210019China Key Laboratory of Jjiangsu Province for Chemical Pollution Control and Resources Reuse School of Environmental and Biological EngineeringNanjing University of Science and TechnologyNanjing210094China School of Environment and Safety Engineering School of Emergency ManagementInstitute of Environment and EcologyJiangsu UniversityZhenjiang 212013China Jiangsu Collaborative Innovation Center of Technology and Material of Water Treatment Suzhou University of Science and TechnologySuzhou215009China

Photocatalytic technology has been proven to be a simple and effective method for degrading recalcitrant organic *** this study,a series of Z-scheme heterojunction nanocomposites composed of CeO_(2)and terephthalic acid-modified WO_(3) was prepared and further used as photocatalysts for perfluorobutane sulfonate(PFBS)*** this design,terephthalic acid was used as an electron recombination center and heterojunction mediator,which effectively enhances the migration ability of electron-hole pairs and the physicochemical stability of the *** addition,in situ synthesis of CeO_(2)onto the WO_(3) surface by the coordinate bond between terephthalic acid and Ce ions can avoid CeO_(2)*** a result,the CeO_(2)@WO_(3) photocatalyst exhibits excellent PFBS degradation ability(94%for CeO_(2)@WO_(3) vs.19%for CeO_(2)).After the fifth cyclic degradation experiment,the CeO_(2)@WO_(3) photocatalyst still maintains stable degradation ***,the reaction mechanism of the PFBS in CeO_(2)@WO_(3) photocatalytic process was analyzed by free radical trapping experiment and liquid chromatography tandem mass spectrometry(LC-MS)*** study provides new insights for constructing Z-scheme heterojunction and demonstrates that CeO_(2)@WO_(3) photocatalysts possess a promising prospect for degrading PFBS pollutants.

关键词： CeO_(2) WO_(3) Photocatalytic Z-Scheme heterojunction Perfluorobutane sulfonate(PFBS) Rare earths

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Design and numerical analysis of serpentine microchannel integrated with inner-wall ridges for enhanced droplet mixing

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science China(Technological sciences) 2023年第2期66卷 560-573页

作者： CAO Xiang CHEN YongPing Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education School of Energy and EnvironmentSoutheast UniversityNanjing 210096China Jiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application School of Environmental Science and EngineeringSuzhou University of Science and TechnologySuzhou 215009China

A numerical model is developed for three-dimensional droplet mixing in serpentine microchannels with inner-wall ridges(referred to as SMR microchannels).The underlying mechanisms of mixing in SMR microchannels are revealed,and the effects of the ridge width and ridge number on mixing inside droplets of different sizes are *** results indicate that SMR microchannels are capable of enhancing the mixing efficiency by 3.6%–12.5%compared with that in smooth serpentine microchannels,particularly when the droplet length is larger than the microchannel width and the width ratio of the ridge to the microchannel is 0.25–*** above mixing enhancement is determined by two main factors:the combined effects of the vortex pair and reverse flow,and non-horizontal ***,when the width ratio is 1,there is a maximum 16.0%increase in mixing efficiency for small droplets with a length equal to the microchannel ***,for small droplets,mixing in an SMR microchannel is worse than in a smooth serpentine microchannel when the width ratio is less than *** increasing the ridge number,when the width ratio is 0.25,the mixing efficiency is reduced for small droplets but increased for larger droplets.

关键词： droplet mixing serpentine microchannel ridge microfluidics

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