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Science China Chemistry 2008年第7期51卷 593-606页

作者： chen jingwen LI XueHua YU HaiYing Key Laboratory of Industrial Ecology and Environmental Engineering (MOE) Department of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China

Structure-activity relationship (SAR) and quantitative structure-activity relationship (QSAR), collec- tively referred to as (Q)SARs, play an important role in ecological risk assessment (ERA) of organic chemicals. (Q)SARs can fill the data gap for physical-chemical, environmental behavioral and ecotoxicological parameters of organic compounds; they can decrease experimental expenses and reduce the extent of experimental testing (especially animal testing); they can also be used to assess the uncertainty of the experimental data. With the development for several decades, (Q)SARs in envi- ronmental sciences show three features: application orientation, multidisciplinary integration, and in- telligence. Progress of (Q)SAR technology for ERA of toxic organic compounds, including endpoint selection and mathematic methods for establishing simple, transparent, easily interpretable and portable (Q)SAR models, is reviewed. The recent development on defining application domains and diagnosing outliers is summarized. Model characterization with respect to goodness-of-fit, stability and predictive power is specially presented. The purpose of the review is to promote the development of (Q)SARs orientated to ERA of organic chemicals.

关键词： (Q)SARs ecological risk assessment application domain stability predictive power

Oxidation reactivity of 1,2-bis(2,4,6-tribromophenoxy)ethane(BTBPE)by CompoundⅠmodel of cytochrome P450s

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Journal of Environmental Sciences 2017年第12期29卷 11-21页

作者： Zhongyu Wang Zhiqiang Fu Qi Yu jingwen chen Key Laboratory of Industrial Ecology and Environmental Engineering(MOE) School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China

Alternative brominated flame retardants（BFRs） have become prevalent as a consequence of restrictions on the use of polybrominated diphenyl ethers（PBDEs）. For risk assessment of these alternatives, knowledge of their metabolism via cytochrome P450 enzymes is *** have previously proved that density functional theory（DFT） is able to predict the metabolism of PBDEs by revealing the molecular mechanisms. In the current study, the reactivity of 1,2-bis（2,4,6-tribromophenoxy）ethane and structurally similar chemicals with the Compound I model representing the active site of P450 enzymes was investigated. The DFT calculations delineated reaction pathways which lead to reasonable explanations for products that were detected by wet experiments, meanwhile intermediates which cannot be determined were also proposed. Results showed that alkyl hydrogen abstraction will lead to bis（2,4,6-tribromophenoxy）ethanol, which may undergo hydrolysis yielding2,4,6-tribromophenol, a neurotoxic compound. In addition, a general pattern of oxidation reactivity regarding the 2,4,6-tribromophenyl moiety was observed among several model compounds. Our study has provided insights for convenient evaluation of the metabolism of other structurally similar BFRs.

关键词： 1 2-Bis(2 4 6-tribromophenoxy)ethane(BTBPE) Alternative brominated flame retardants Metabolic reactivity P450 Compound Ⅰ

An intelligent MXene/MoS_(2)acoustic sensor with high accuracy for mechano-acoustic recognition

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Nano Research 2023年第2期16卷 3180-3187页

作者： jingwen chen Linlin Li Wenhao Ran Di chen Lili Wang Guozhen Shen School of Mathematics and Physics University of Science and Technology BeijingBeijing 100083China State Key Laboratory for Superlattices and Microstructures Institute of SemiconductorsChinese Academy of SciencesBeijing 100083China Center of Materials Science and Optoelectronic Engineering University of Chinese Academy of SciencesBeijing 100083China School of Integrated Circuits and Electronics Beijing Institute of TechnologyBeijing 100081China

Auditory systems are the most efficient and direct strategy for communication between human beings and *** this domain,flexible acoustic sensors with magnetic,electric,mechanical,and optic foundations have attracted significant attention as key parts of future voice user interfaces(VUIs)for intuitive human–machine *** study investigated a novel machine learning-based voice recognition platform using an MXene/MoS_(2) flexible vibration sensor(FVS)with high sensitivity for acoustic *** performance of the MXene/MoS_(2) FVS was systematically investigated both theoretically and experimentally,and the MXene/MoS_(2) FVS exhibited high sensitivity(25.8 mV/dB).An MXene/MoS_(2) FVS with a broadband response of 40–3,000 Hz was developed by designing a periodically ordered architecture featuring systematic *** study also investigated a machine learning-based speaker recognition process,for which a machine-learning-based artificial neural network was designed and *** developed neural network achieved high speaker recognition accuracy(99.1%).

关键词： MXene/MoS_(2) intelligent acoustic sensors machine learning high accuracy mechano-acoustic recognition ABSTRACT

Diffusive gradients in thin films using molecularly imprinted polymer binding gels for in situ measurements of antibiotics in urban wastewaters

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Frontiers of Environmental Science & Engineering 2020年第6期14卷 211-222页

作者： Ying Cui Feng Tan Yan Wang Suyu Ren jingwen chen Key Laboratory of Industrial Ecology and Environmental Engineering(MOE) School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China

Urban wastewater is one of main sources for the introduction of antibiotics into the *** the concentrations of antibiotics in wastewater is necessary for estimating the amount of antibiotics discharged into the environment through urban wastewater treatment *** this study,we report a novel diffusive gradient in thin films(DGT)method based on molecularly imprinted polymers(MIPs)for in situ measurement of two typical antibiotics,fluoroquinolones(FQs)and sulfonamides(SAs)in urban *** show specific adsorption toward their templates and their structural analogs,resulting in the selective uptake of the two target antibiotics during MIP-DGT *** uptake performance of the MIP-DGTs was evaluated in the laboratory and was relatively independent of solution pH(4.0-9.0),ionic strength(1-750 mmol/L),and dissolved organic matter(DOM,0-20 mg/L).MIP-DGT samplers were tested in the effluent of an urban wastewater treatment plant for field trials,where three SA(sulfamethoxazole,sulfapyridine,and trimethoprim)and one FQ(ofloxacin)antibiotics were detected,with concentrations ranging from 25.50 to 117.58 ng/L,which are consistent with the results measured by grab *** total removal efficiency of the antibiotics was 80.1%by the treatment *** study demonstrates that MIP-DGT is an effective tool for in situ monitoring of trace antibiotics in complex urban wastewaters.

关键词： Diffusive gradients in thin films Molecularly imprinted polymers Selective uptake Antibiotics Passive sampling

Photodegradation of 2-(2-hydroxy-5-methylphenyl) benzotriazole(UV-P) in coastal seawaters: Important role of DOM

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Journal of Environmental Sciences 2019年第11期31卷 129-137页

作者： Xi chen Jieqiong Wang jingwen chen chengzhi Zhou Feifei Cui Guoxin Sun Key Laboratory of Industrial Ecology and Environmental Engineering (MOE) School of Environmental Science and Technology Dalian University of Technology

Benzotriazole UV stabilizers (BT-UVs) have attracted concems due to their ubiquitous occurrence in the aquatic environment,and their bioaccumulative and toxic ***,little is known about their aquatic environmental degradation *** this study,photodegradation of a representative of BT-UVs,2-(2-hydroxy-5-methylphenyl) benzotriazole (UV-P),was investigated under simulated sunlight *** show that UV-P photodegrades slower under neutral conditions (neutral form) than under acidic or alkaline conditions (cationic and anionic forms).Indirect photodegradation is a dominant elimination pathway of UV-P in coastal *** organic matter (DOM) from seawaters accelerate the photodegradation rates mainly through excited triplet DOM (3DOM*),and the roles of singlet oxygen and hydroxyl radical are negligible in the *** from seawaters impacted by mariculture exhibits higher steady-state concentration of 3DOM*([3DOM*]) relative to those from pristine seawaters,leading to higher photosensitizing effects on the *** ions inhibit the DOM-sensitized photodegradation of UV-P by decreasing [3DOM*].Photodegradation half-lives of UV-P are estimated to range from 24.38 to 49.66 hr in field water bodies of the Yellow River *** results are of importance for assessing environmental fate and risk UV-P in coastal water bodies.

关键词： Benzotriazole UV stabilizers Photodegradation Dissolved organic matter Coastal seawaters

A two-dimensional numerical model for eutrophication in Baiyangdian Lake

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Frontiers of Environmental Science & Engineering 2012年第6期6卷 815-824页

作者： Xudong WANG Shushen ZHANG Suling LIU jingwen chen Ocean Research Center of Zhoushan Zhejiang UniversityZhoushan 316021China Key Laboratory of Industrial Ecology and Environmental Engineering(Ministry of Education) Dalian University of TechnologyDalian 116024China

Hydrodynamic, physical, and biochemical processes in the Baiyangdian Lake water environment were analyzed comprehensively. An eutrophication eco- dynamics model including the effects of reed resistance on flow was coupled with the hydrodynamics governing equations. An improvement on the Water Quality Analysis Simulation Program （WASP, a modeling system intro- duced by the US Environmental Protection Agency） is established, which uses the zooplankton kinetic equation. The model simulates water quality constituents associated with eutrophication in the lake, including phytoplankton, zooplankton, nitrogen, phosphorus, dissolved oxygen, and others. Various kinetic coefficients were calibrated using measured data or information from relevant literature, to study eutrophication in the lake. The values calculated by the calibrated model agree well with field data, including ammonia nitrogen, total nitrogen, total phosphorus and dissolved oxygen. Changes related to nutrition and dissolved oxygen during the processes were simulated. The present model describes the temporal variation of water quality in Baiyangdian Lake with reasonable accuracy. Deviations between model-simulated and observed values are discussed. As an ideal tool for environmental management of the lake, this model can be used to predict its water quality, and be used in research to examine the eutrophication process.

关键词： eutrophication eco-dynamics hydrody-namics improved Water Quality Analysis SimulationProgram (WASP) model Baiyangdian Lake

Phenotype and metabolism alterations in PCB-degrading Rhodococcus biphenylivorans TG9^(T) under acid stress

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Journal of Environmental Sciences 2023年第5期127卷 441-452页

作者： Aili Li Jiahui Fan Yangyang Jia Xianjin Tang jingwen chen Chaofeng Shen Department of Environmental Engineering College of Environmental and Resource SciencesZhejiang UniversityHangzhou 310058China MOE Key Lab of Environmental Remediation and Ecosystem Health College of Environmental and Resource SciencesZhejiang UniversityHangzhou 310058China

Environmental acidification impairs microorganism diversity and their functions on substance *** is a ubiquitously distributed genus for contaminant detoxification in the environment,and it can also adapt a certain range of *** work interpreted the acid responses from both phenotype and metabolism in strain Rhodococcus biphenylivorans TG9^(T)(TG9)induced at pH *** phenotype alterations were described with the number of culturable and viable cells,intracellular ATP concentrations,cell shape and entocyte,degradation efficiency of polychlorinated biphenyl(PCB)31 and *** number of culturable cells maintained rather stable within the first 10 days,even though the other phenotypes had noticeable alterations,indicating that TG9 possesses certain capacities to survive under acid *** metabolism responses were interpreted based on transcription analyses with four treatments including log phase(LP),acid-induced(PER),early recovery after removing acid(RE)and later recovery(REL).With the overview on the expression regulations among the 4 treatments,the RE sample presented more upregulated and less downregulated genes,suggesting that its metabolism was somehow more active after recovering from acid *** addition,the response mechanism was interpreted on 10 individual metabolism pathways mainly covering protein modification,antioxidation,antipermeability,H+consumption,neutralization and ***,the transcription variations were verified with RT-qPCR on 8 genes with 24-hr,48-hr and 72-hr acid *** together,TG9 possesses comprehensive metabolism strategies defending against acid ***,a model was built to provide an integrate insight to understand the acid resistance/tolerance metabolisms in microorganisms.

关键词： Environmental acidification Rhodococcus biphenylivorans Contaminant degradation Phenotypic response Transcription analysis Metabolism pathway Mechanism model

Faulty Feeder Identification and Fault Area Localization in Resonant Grounding System Based on Wavelet Packet and Bayesian Classifier

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Journal of Modern Power Systems and Clean Energy 2020年第4期8卷 760-767页

作者： jingwen chen Enliang Chu Yingchun Li Baoji Yun Hongshe Dang Yali Yang Power System Relay Protection Laboratory of Shaanxi University of Science and Technology Xi’anChina Xi’an Xirui Control Technology Co. Ltd.Xi’anChina State Grid Shaanxi Electric Power Company Maintenance Company Xi’anChina

Accurate fault area localization is a challenging problem in resonant grounding systems(RGSs).Accordingly,this paper proposes a novel two-stage localization method for single-phase earth faults in ***,a faulty feeder identification algorithm based on a Bayesian classifier is *** characteristic parameters of the RGS(the energy ratio,impedance factor,and energy spectrum entropy)are calculated based on the zero-sequence current(ZSC)of each feeder using wavelet packet ***,the values of three parameters are sent to a pre-trained Bayesian classifier to recognize the exact fault *** this result,the faulty feeder can be finally *** find the exact fault area on the faulty feeder,a localization method based on the similarity comparison of dominant frequency-band waveforms is proposed in an RGS equipped with feeder terminal units(FTUs).The FTUs can provide the information on the ZSC at their *** wavelet-packet transformation,ZSC dominant frequency-band waveforms can be obtained at all FTU *** of the waveforms of characteristics at all FTU points are calculated and *** neighboring FTU points with the maximum diversity are the faulty sections finally *** proposed method exhibits higher accuracy in both faulty feeder identification and fault area localization compared to the previous ***,the effectiveness of the proposed method is validated by comparing simulation and experimental results.

关键词： Resonant grounding system single-phase earth fault faulty feeder identification fault area localization wavelet packet Bayesian classifier

Research on Distributed Cooperative Control Strategy of Microgrid Hybrid Energy Storage Based on Adaptive Event Triggering

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Computer Modeling in Engineering & Sciences 2022年第8期132卷 585-604页

作者： Wenqian Zhang jingwen chen Saleem Riaz Naiwen Zheng Li Li School of Electrical and Control Engineering Shaanxi University of Science and TechnologyXi’an710021China School of Mathematics and Computer Science Yan’an UniversityXi’an716000China School of Automation Northwestern Polytechnical UniversityXi’an170072China

Distributed collaborative control strategies for microgrids often use periodic time to trigger communication,which is likely to enhance the burden of communication and increase the frequency of controller updates,leading to greater waste of communication *** response to this problem,a distributed cooperative control strategy triggered by an adaptive event is *** introducing an adaptive event triggering mechanism in the distributed controller,the triggering parameters are dynamically adjusted so that the distributed controller can communicate only at a certain time,the communication pressure is reduced,and the DC bus voltage deviation is effectively reduced,at the same time,the accuracy of power distribution is *** MATLAB/Simulink modeling and simulation results prove the correctness and effectiveness of the proposed control strategy.

关键词： DC microgrid hybrid energy storage adaptive event trigger distributed collaborative control

Low-coordinated Ni-N_(1)-C_(3)sites atomically dispersed on hollow carbon nanotubes for efficient CO_(2)reduction

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Nano Research 2023年第1期16卷 146-154页

作者： Fangqi Yang Haoming Yu Yun Su jingwen chen Shixia chen Zheling Zeng Shuguang Deng Jun Wang School of Resource and Environment Nanchang UniversityNanchang 330031China Chemistry and Chemical Engineering School Nanchang UniversityNanchang 330031China School for Engineering of Matter Transport and EnergyArizona State UniversityTempeAZ 85287USA

Low-coordinated single atom catalysts compared to M-N4 are appealing in optimized electronic structure for CO_(2)electroreduction,but the preparation is still very ***,a novel single Ni atom catalyst with Ni-N_(1)-C_(3)configuration is in-situ evolved on curved carbon *** obtained Ni-N_(1)-C_(3)catalyst exhibits a superior CO Faradaic efficiency of 97%and turnover frequency of 2,890 h^(−1)at−0.9 V versus the reversible hydrogen electrode,as well as long-term stability over 45 *** current densities exceeding 200 mA·cm^(−2)and CO Faradaic efficiency of 99%are achieved in ***,in-situ potentialand time-dependent Raman spectra identify the key intermediates of*COOH and*CO during CO_(2)-to-CO *** calculations reveal that the upward-shifted d-band center and charge-rich Ni sites of Ni-N_(1)-C_(3)facilitate the electron transfer to*COOH and thus reduce the*COOH formation energy *** work demonstrates a strategy for modulating the coordination environment for efficient CO_(2)reduction.

关键词： CO_(2)reduction reaction single atom catalyst low-coordination DFT calculations in-situ Raman spectra