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Reaction mechanism of antioxidant inhibition of hydroxyl radical in coal oxidation

Environmental science and Pollution Research 2024年第30期31卷 43351-43368页

作者： Shu, Pan Zhang, Yanni Deng, Jun Zhai, Fangyan Duan, Zhengxiao College Of New Energy Longdong University Qingyang745000 China College of Safety Science and Engineering Xi’an University of Science and Technology Xi’an710054 China Shaanxi Key Laboratory of Prevention and Control of Coal Fire Xi’an University of Science and Technology Shaanxi Xi’an710054 China Key Laboratory of Coal Resources Exploration and Comprehensive Utilization Ministry of Land and Resources Xi’an China

To solve the problem of unclear targeted inhibition of key free radicals by antioxidants, this paper took the hydroxyl radical with the highest oxidation activity of coal as the inhibition target and selected five antioxidants such as ethylene diamine tetraacetic acid, tea polyphenol, citric acid, vitamin C, and proanthocyanidins. Based on the theory of quantum chemistry, the characteristics and oxidation pathway of antioxidants inhibiting coal oxidation of hydroxyl radical were analyzed. Analyze the influence characteristics of antioxidants on the evolution of free radicals in coal through an electron paramagnetic resonance experiment (ESR). The results showed that the electron density of antioxidants was mainly distributed in the functional groups of carboxyl and hydroxyl, which played a key inhibitory role, and the vicinity of carboxyl and hydroxyl and other functional groups was positive potential, which was the active site of inhibiting hydroxyl radical. The order of inhibitory capacity of the five antioxidants was determined as GTP > PC > EDTA > CA > VC. It is concluded that the energy barrier of hydroxyl radical inhibition by citric acid is much lower than that of EDTA. For the hydrogen extraction reaction, VC inhibited the hydroxyl radical pathway with a higher energy barrier than the other three antioxidants. The mechanism of five antioxidants inhibiting •OH reaction was comprehensively analyzed. It was found that tea polyphenols have more active sites that can react with •OH to quench it, so the inhibition of tea polyphenols should be the most significant. When antioxidants inhibit coal spontaneous combustion, the type, complexity, concentration, and linewidth of free radicals in coal molecules are lower than those in raw coal, with GTP antioxidants having the best inhibitory effect. The research results have important theoretical and practical significance for revealing the mechanism of coal spontaneous combustion inhibition and developing directional coa

关键词： Antioxidants

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Predicting the Time-Dependent Toxicities of Binary Mixtures of Five Antibiotics to Vibrio qinghaiensis sp.-Q67 Based on the QSAR Model

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Environment & Health 2024年第7期2卷 465-473页

作者： Xiachangli Xu Yongan Liu Lingyun Mo Xuehua Li Junfeng Dai Litang Qin College of Environmental Science and Engineering Guilin University of TechnologyGuilin 541004China Guangxi Key Laboratory of Theory and Technology for Environmental Pollution Control Guilin 541006China Collaborative Innovation Center for Water Pollution Control and Water Safety in Karst Area Guilin University of TechnologyGuilin 541006China Key Laboratory of Industrial Ecological and Environmental Engineering(MOE) School of Environmental Science and TechnologyDalian University of TechnologyLinggong Road 2Dalian 116024China

Antibiotics may be exposed in a mixed state in natural *** toxicity of antibiotic mixtures exhibits time-dependent characteristics,and data on the time-dependent toxicity of antibiotic mixtures is also relatively *** this study,the toxicities of 45 binary mixtures composed of five antibiotics were investigated against Vibrio qinghaiensis sp.-Q67(Q67)at multiple exposure times(4,6,8,10,and 12 h).Quantitative structure–activity relationship(QSAR)models were developed for predicting the time-dependent toxicities of 45 binary *** results showed that the best QSAR models presented coefficient of determination(R2)of(0.818–0.913)and explained variance in prediction leave-one-out(Q2LOO)of(0.781–0.894)and predictive ability(Q2F1,Q2F2,Q2F3>0.682,concordance correlation coefficient>0.859).The R2 values of QSAR models outperformed the R2(0.628–0.810)of the conventional concentration addition models and the R2(0.654–0.792)of the independent action ***,the QSAR models showed higher R2 and Q2LOO values at 4 h compared to other exposure ***,the model at the 30%effective concentration(EC30)had R2 of 0.902 and Q2LOO of 0.883,while the model at the 50%effective concentration(EC50)had R2 of 0.913 and Q2LOO of *** CATS2D_04_DP descriptor was found to be the most dominant and negatively correlated factor influencing the toxicity of mixed antibiotics against Q67 in the nine QSAR models developed over five exposure *** reduction in the number of DP pharmacophore point pairs with a topological distance of 4 in the represented molecules is the primary cause for the rise in the time-dependent toxicity of the antibiotics against Q67.

关键词： antibiotics Q67 QSAR model time-dependent toxicity toxicities prediction

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Excellent energy storage properties in non-stoichiometric Bi_(0.5)Na_(0.5)TiO_(3)-based relaxor ferroelectric ceramics

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Chinese Chemical Letters 2024年第7期35卷 470-472页

作者： Shunshun Jiang Ji Zhang Jing Wang Shan-Tao Zhang School of Materials Science and Engineering Nanjing University of Science&TechnologyNanjing 210094China State Key Laboratory of Mechanics and Control of Mechanical Structures College of Aerospace EngineeringNanjing University of Aeronautics and AstronauticsNanjing 210016China National Laboratory of Solid State Microstructures Department of Materials Science and EngineeringCollege of Engineering and Applied Science&Jiangsu Key Laboratory of Artificial Functional Materials&Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China

The rapid development of high-power and pulsed-power techniques inspires extensive investigates on high-performance ceramic-based ***,the low recoverable energy density(Wrec)hampers their wider ***,the non-stoichiometric Bi_(0.5)Na_(0.5)TiO_(3)-based ceramics were designed and *** proper introduction of oxygen vacancies facilitated activating defect dipole,giving rise to reduced remanent ***,the optimal composition exhibited an exceptional high Wrec of 8.3 J/cm^(3),a high efficiency of 85%,and excellent anti-fatigue and thermal *** work provides an efficient approach to explore ceramic capacitors with high capacitive energy storage performances.

关键词： Non-stoichiometric Bi_(0.5)Na_(0.5)TiO_(3) Ceramic capacitor Energy density Thermal stability

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Degradation kinetics and disinfection by-products formation of benzophenone-4 during UV/persulfate process

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Environmental technology (United Kingdom) 2024年第26期45卷 5618-5629页

作者： Hu, Chen-Yan Xiong, Cun Lin, Yi-Li Zhang, Tian-Yang College of Environmental and Chemical Engineering Shanghai Engineering Research Center of Energy-Saving in Heat Exchange Systems Shanghai University of Electric Power Shanghai China Shanghai Institute of Pollution Control and Ecological Security Shanghai China Department of Safety Health and Environmental Engineering National Kaohsiung University of Science and Technology Kaohsiung Taiwan State Key Laboratory of Pollution Control and Resources Reuse Key Laboratory of Yangtze Water Environment Ministry of Education College of Environmental Science and Engineering Tongji University Shanghai China

The degradation kinetics, reaction pathways, and disinfection by-products formation of an organic UV filter, benzophenone-4 (BP4) during UV/persulfate oxidation were investigated. BP4 can hardly be degraded by UV alone, but can be effectively decomposed by UV/persulfate following pseudo-first order kinetics. BP4 degradation rate was enhanced with increasing persulfate dosage and decreasing pH from 8 to 5. However, the degradation rate of BP4 at pH 9 was higher than that at pH 8 because of the presence of phenolic group in BP4 structure. and (Formula presented.) were confirmed as the major contributors to BP4 decomposition in radical scavenging experiments, and the second-order rate constants between (Formula presented.) and BP4 as well as those between (Formula presented.) and BP4 were estimated by establishing and solving a kinetic model. The presence of (Formula presented.) and humic acid inhibited the decomposition of BP4, while (Formula presented.) promoted it. The mineralisation of BP4 was only 9.1% at the persulfate concentration of 50 μM. Six degradation intermediates were identified for the promulgation of the reaction pathways of BP4 during UV/persulfate oxidation were proposed as a result. In addition, the formation of DBP in the sequential chlorination was evaluated at different persulfate dosages, pH values, and water matrix. The results of this study can provide essential knowledge for the effective control of DBP formation with reducing potential hazard to provide safe drinking water to the public. © 2023 Informa UK Limited, trading as Taylor & Francis Group.

关键词： Rate constants

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Time-scheduled observer design for switched linear systems with unknown inputs

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science China(Information sciences) 2022年第7期65卷 265-266页

作者： Shuang SHI Zhongyang FEI Xudong ZHAO College of Automation Engineering Nanjing University of Aeronautics and Astronautics Key Laboratory of Intelligent Control and Optimization for Industrial Equipment of Ministry of Education Dalian University of Technology

Dear editor, Since uncertain disturbance, actuator faults and unmodeled dynamics can all be viewed as unknown inputs in various practical systems, the issue of unknown input observer design is of great significance. Meanwhile, switched systems have attracted extensive attention, which are prevailingly motivated by superior capabilities in modeling numerous practical systems possessing switching characteristics. Recently, the state observation for switched systems with unknown inputs has attracted considerable attention [1–5].

关键词： switched linear systems unknown inputs admissible edge-dependent average dwell-time multiple discontinuous Lyapunov-like functions observer design

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In-situ construction of abundant active centers on hierarchically porous carbon electrode toward high-performance phosphate electrosorption: Synergistic effect of electric field and capture sites

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Green Energy & Environment 2024年第1期9卷 126-137页

作者： Peng Zhang Fukuan Li Mingming He Silu Huo Xueli Zhang Benqiang Cen Dezhi Fang Kexun Li Hao Wang College of Environmental Science and Engineering Nankai UniversityTianjin300350China MOE Key Laboratory of Pollution Processes and Environmental Criteria Tianjin Key Laboratory of Environmental Remediation and Pollution ControlTianjin Key Laboratory of Environmental Technology for Complex Trans-Media PollutionNankai UniversityTianjin300350China State Key Laboratory of Simulation and Regulation of Water Cycles in River Basins China Institute of Water Resources and Hydropower ResearchBeijing100038China

Phosphate removal is crucial for eutrophication control and water quality ***-assisted adsorption,an eco-friendly elec-trosorption process,exhibited a promising potential for wastewater ***,there are few works focused on phosphate electro-sorption,and reported electrodes cannot attach satisfactory removal capacities and ***,electro-assisted adsorption of phosphate via in-situ construction of La active centers on hierarchically porous carbon(LaPC)has been originally *** resulted LaPC composite not only possessed a hierarchically porous structure with uniformly dispersed La active sites,but also provided good conductivity for interfacial electron *** LaPC electrode achieved an ultrahigh phosphate electrosorption capability of 462.01 mg g^(-1) at 1 V,outperforming most existing *** superior phosphate removal performance originates from abundant active centers formed by the coupling of electricﬁeld and capture ***,the stability and selectivity toward phosphate capture were maintained well even under comprehensive ***,a series of kinetics and isotherms models were employed to validate the electrosorption *** work demonstrates a deep understanding and promotes a new level of phosphate electrosorption.

关键词： Electro-assisted adsorption Electrosorption Phosphate removal Active centers MOF-derived carbon

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Tire defect detection algorithm based on RT-DETR

Tire defect detection algorithm based on RT-DETR

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第35届中国过程控制会议

作者： Yifan Jiang Jinshui Chen Jiangang Lu State Key Laboratory of Industrial Control Technology College of Control Science and Engineering Zhejiang University Zhejiang Laboratory

In industrial production, flaw detection in X-ray images is a crucial process to prevent defective tires from entering the market. To address the current issues of low accuracy, false positives and missed detections in tire surface defect detection, we propose a tire defect detection algorithm based on RT-DETR. Firstly, we replace the multi-scale feature fusion network with a more efficient feature focusing and diffusion pyramid network to enhance the network's ability to represent cross-scale features, thereby improving defect detection accuracy. Secondly, we substitute the GIoU loss function with the Inner-WiseIoU loss function for optimizing bounding box regression, enhancing the generalization ability of the loss function and improving the precision of bounding box localization. Experimental results demonstrate that the improved algorithm, compared to the original model, increases the mean Average Precision(mAP)@0.5 by 10.0% and mAP@0.5:0.95 by 8.9%, while maintaining a high Frame rate Per Second(FPS). When compared with algorithms such as YOLOv8 and YOLOv9, our algorithm also achieves higher detection accuracy and competitive real-time performance, indicating its effectiveness.

关键词： Defect detection RT-DETR Feature pyramid Loss function

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Preparation of coal-to-liquids gasification ash slag colloid and its resistance to coal spontaneous combustion properties

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Energy Sources, Part A: Recovery, Utilization and Environmental Effects 2025年第1期47卷 19-34页

作者： Zhai, Xiaowei Li, Ziyi Hou, Qinyuan Song, Bobo Li, Xintian College of Safety Science and Engineering Xi’an University of Science and Technology Xi’an China Shaanxi Key Laboratory of Prevention and Control of Coal Fire Xi’an China Mine Emergency Rescue Innovation Team The Youth Innovation Team of Shaanxi University Shaanxi Xi’an China

To better prevent fire accidents caused by coal spontaneous combustion and effectively utilize coal-to-liquids gasification ash slag (GAS), using GAS, carboxymethyl cellulose (CMC), and anhydrous sodium carbonate as raw materials. The gelation time and other performance parameters of the colloid were tested to determine the optimal ratio of the colloid. The results showed that the optimal ratio is 1:1.3 for the water–ash ratio and 1.5% for CMC. Through experiments of programmed temperature rise and synchronous thermal analysis, the changes in coal autoignition parameters such as gas concentration, characteristic temperature, and heat release amount during the coal oxidation process were analyzed for colloid coal and raw coal. The results showed that GAS colloid could effectively reduce the generation of CO and the consumption of O2 during the coal oxidation process, with the maximum inhibition rate reaching 78.3%. The apparent activation energy was increased by 3.18 kJ/mol compared to raw coal, and the retardation performance was better than that of KCl. GAS colloid delayed the characteristic temperatures of the coal oxidation reaction by about 11°C. In addition, the values of combustion characteristic parameters C, G, and S of colloid coal were reduced by 7.20%, 6.02%, and 9.70%, respectively, compared to raw coal, and the heat absorption of colloid coal was 19.14 J/g higher, while the heat release was 919.85 J/g lower than that of raw coal, while the heat release was 919.85 J/g smaller than that of raw coal. The initial heat release temperature was delayed by about 7°C, and it had a good effect in suppressing coal autoignition, making it an excellent mine fire prevention and extinguishing colloidal material. © 2025 Taylor & Francis Group, LLC.

关键词： Coal combustion

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Protective mechanism of quercetin compounds against acrylamide-induced hepatotoxicity

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Food science and Human Wellness 2024年第1期13卷 225-240页

作者： Linzi Li Xueying Lei Lin Chen Ya Ma Jun Luo Xuebo Liu Xinglian Xu Guanghong Zhou Xianchao Feng College of Food Science and Engineering Northwest A&F UniversityYangling 712100China College of Animal Science and Technology Northwest A&F UniversityYangling 712100China Synergetic Innovation Center of Food Safety and Nutrition Key Laboratory of Meat Processing and Quality ControlMinistry of EducationCollege of Food Science and TechnologyNanjing Agricultural UniversityNanjing 210095China

Quercetin compounds have antioxidant,anti-inflammatory and anticancer pharmacological *** exposure to acrylamide(AA)can cause liver injury and endanger human ***,whether quercetin compounds can attenuate AA-induced liver injury and the specific mechanism are not ***,we studied the mechanism and structure-activity relationship of quercetin compounds in reducing AA-induced hepatotoxicity in vivo and in *** vivo studies found that quercetin-like compounds protect against AAinduced liver injury by reducing oxidative stress levels,activating the Akt/m TOR signaling pathway to attenuate autophagy,and improving mitochondrial apoptosis and endoplasmic reticulum stress-mediated *** vitro studies found that quercetin compounds protected Hep G2 cells from AA by attenuating the activation of AA-induced autophagy,lowering reactive oxygen species(ROS)levels by exerting antioxidant effects and thus attenuating oxidative stress,increasing mitochondrial membrane potential(MMP),and improving apoptosis-related proteins,thus attenuating AA-induced ***,the conformational differences between quercetin compounds correlated with their protective capacity against AA-induced hepatotoxicity,with quercetin showing the best protective capacity due to its strongest antioxidant *** conclusion,quercetin compounds can protect against AA-induced liver injury through multiple pathways of oxidative stress,autophagy and apoptosis,and their protective capacity correlates with antioxidant activity.

关键词： Quercetin compounds Acrylamide Protection mechanism Oxidative stress Antioxidant activity

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PI-Based Set-Point Learning control for Batch Processes with Unknown Dynamics and Nonrepetitive Uncertainties

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IEEE Transactions on Automatic control 2024年第6期70卷 3649-3664页

作者： Hao, Shoulin Liu, Tao Rogers, Eric Wang, Youqing Paszke, Wojciech Dalian University of Technology Key Lab. of Intelligent Control and Optimization for Industrial Equipment of Ministry of Eduction The Institute of Advanced Measurement and Control Technology Dalian116024 China Beijing University of Chemical Technology College of Information Science and Technology Beijing100029 China University of Zielona Góra Institute of Automation Electronic and Electrical Engineering Zielona Góra65-246 Poland

For industrial batch processes with unknown dynamics subject to nonrepetitive initial conditions and disturbances, this paper develops a novel adaptive data-driven set-point learning control (ADDSPLC) scheme based on only the measured process input and output data, which has two loops, one for the dynamics within a batch and the other for the batch-to-batch dynamics. In the former case, a model-free tuning strategy is firstly presented for determining the closed-loop PI controller parameters. For the latter case, a set-point learning control law with adaptive set-point learning gain and gradient estimation is developed for batch run optimization. Robust convergence of the output tracking error is rigorously analyzed together with the boundedness of adaptive learning gain and real-time updated set-point command. Moreover, another iterative extended state observer based (ADDSPLC) scheme is developed with rigorous convergence and boundedness analysis, to enhance the robust tracking performance against nonrepetitive uncertainties. Finally, two illustrative examples from the literature are used to demonstrate the effectiveness and superiority of the new schemes over the recently developed data-driven learning control designs. © 1963-2012 IEEE.

关键词： Batch data processing

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