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Kinetic study and DFT calculation on the tetracycline abatement by peracetic acid

Chinese Chemical Letters 2024年第9期35卷 346-350页

作者： Dan-Ying Xing Xiao-Dan Zhao chuan-shu he Bo Lai College of Chemical Engineering Huaqiao UniversityXiamen 361021China State Key Laboratory of Hydraulics and Mountain River Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China

Water contamination by tetracycline(TC)has emerged as an environmental concern owing to its widespread use and antibiotic *** of peracetic acid(PAA)in the water and wastewater treatment has recently been proposed and demonstrated to be effective for TC abatement,yet the underlying reaction kinetics between the PAA and TC are not yet *** explore the reaction kinetics,the effect of solution pH on TC abatement by PAA is studied and the species-specific rate constants are *** ability to donate and accept electrons for different species of TC and PAA is evaluated via density functional theory(DFT)*** pH-dependent apparent second-order rate constants of TC abatement by PAA exhibits the parabolic shape with the maximum at p H 8.5(9.75 L mol^(-1)s^(-1)).This phenomenon is closely related to the speciation of TC and PAA,in which the reaction between PAAH and TTC^(2-)possesses the highest species-specific rate constants according to the kinetic *** DFT calculations suggest that the HOMO of TTCH^(+),TTC,TTC^(-),TTC^(2-)and the LUMO of PAAH and PAA-are–6.40,–6.26,–5.10,–4.94 e V and–0.24,0.60 e V,*** to the DFT calculations,deprotonation of TC and PAA leads to an increase of the HOMO value of TC and the LUMO value of ***,the HOMOTC–LUMOPAAvalues is in good agreement with the trend of species-specific rate constants,which can be used to evaluate the reactivity between PAA and TC with different *** study provides the kinetic data and theoretical basis for the reaction of PAA and TC,which is critical for the application of PAA in the treatment of water and wastewater.

关键词： Peracetic acid Tetracycline Kinetics Rate constants DFT calculation

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Manganese oxide and derivative-modified materials in advanced oxidation processes:A review of modification enhancement and activation mechanisms

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Chinese Chemical Letters 2024年第3期35卷 40-51页

作者： Si Sun shuang Song shuai Yang Yong-Li he Yang Shi Peng Zhou Zhao-kun Xiong Yang Liu heng Zhang Ye Du chuan-shu he Bo Lai State Key Laboratory of Hydraulics and Mountain River Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China Sino-German Centre for Water and health Research Sichuan UniversityChengdu 610065China Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaSichuanChengdu 610054China

Manganese oxides(MNO_(x)),as low-toxicity and high-abundance catalysts,have been demonstrated to hold great promise for application in advanced oxidation processes(AOPs).However,further application of this material is restricted due to its unsatisfactory oxidant activation ***,recently remarkable research on deep activation mechanisms and modification of MNO_(x)have been undertaken to improve its ***,modification enhancement mechanisms of MNO_(x)to efficiently degrade various organic contaminants were discussed and highlighted,including metal doping,coupling with other metal oxides,composite with carbonaceous material,and compounding with other *** activation mechanisms of different MNO_(x)and derivative-modified material(such as doped MNO_(x),metal oxide-MNO_(x)hybrids,and MNO_(x)-carbonaceous material hybrids)were summarized in great details,which was specifically categorized into both radical and non-radical *** effects of pH,inorganic ions,and natural organic matter on degradation reactions are also ***,future research directions and perspectives are presented to provide a clear interpretation on the MNO_(x)initiated AOPs.

关键词： Manganese oxide Derivative-modified materials Modification enhancement mechanisms Advanced oxidation process Activation mechanism

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Insights into the electron transfer mechanisms of peroxydisulfate activation by modified metal-free acetylene black for degradation of sulfisoxazole

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Chinese Chemical Letters 2024年第8期35卷 349-356页

作者： Chunxiu Yu Zelin Wu Hongle Shi Lingyun Gu Kexin Chen chuan-shu he Yang Liu heng Zhang Peng Zhou Zhaokun Xiong Bo Lai State Key Laboratory of Hydraulics and Mountain River Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China Sichuan Academy of Eco-Environmental Sciences Chengdu 610041China Sino-German Centre for Water and health Research Sichuan UniversityChengdu 610065China

herein,a modified metal-free acetylene black(MMF-AB)catalyst was synthesized by a simple solvothermal-calcination method and designed successfully to activate peroxodisulfate(PDS)for the degradation of sulfisoxazole(SIZ).Due to the doping of N,S and O metal-free elements,the modified catalyst showed excellent catalytic performance with 100%SIZ removal within 30 *** first-order reaction rate constants(evaluating catalytic efficiencies and activity)of MMF-AB(kobs=0.105 min^(−1))was 3 times higher than pure-AB(k_(obs)=0.029 min^(−1)).Interestingly,it was demonstrated that the reaction sys-tem is based on the transfer of electrons from SIZ to PDS to realize an electron-transfer-based mechanism by the evidence of premixing,electron paramagnetic resonance(EPR)spectroscopy,salt-bridge experi-ments and electrochemical *** introduction of recyclable filtration device solved the secondary pollution caused by the dispersion of the powdered catalyst in the treated water,which further proved the practicality and superiority of the MMF-AB catalyst.

关键词： Peroxydisulfate Sulfisoxazole Acetylene black Electrochemical Electron transfer

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Review of advanced oxidation processes for treating hospital sewage to achieve decontamination and disinfection

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Chinese Chemical Letters 2024年第1期35卷 140-152页

作者： Si-Ying Yu Zhi-Hui Xie Xiaoyu Wu Yun-Zhe Zheng Yang Shi Zhao-Kun Xiong Peng Zhou Yang Liu chuan-shu he Zhi-Cheng Pan Kai-Jun Wang Bo Lai State Key Laboratory of Hydraulics and Mountain River Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China Sino-German Centre for Water and health Research Sichuan UniversityChengdu 610065China State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China Water Safety and Water Pollution Control Engineering Technology Research Center in Sichuan Province Haitian Water GroupChengdu 610041China

Hospital sewage contains various harmful pharmaceutical contaminants(e.g.,antibiotics,anti-inflammatory agents,and painkillers)and pathogens(e.g.,bacteria,viruses,and parasites),whose direct discharge into the environment will induce diseases and pose a powerful threat to human health and safety,and environmental *** recent years,advanced oxidation processes(AOPs),particularly photocatalysis,electrocatalysis,and ozone catalysis have been developed as widespread and effective techniques for hospital sewage ***,there is a lack of systematic comparison and review of the prior studies on hospital sewage treatment using AOPs *** review elaborates on the mechanisms,removal efficiencies,and advantages/disadvantages of these AOPs systems for hospital wastewater decontamination and ***,some novel and potential technologies such as photo-electrocatalysis,electro-peroxone,Fenton/Fenton-like,and piezoelectric catalysis are also included and ***,we further summarize and compare the capacity of these AOPs to treat the actual hospital wastewater under the impact of the water matrix and pH,and estimate the economic cost of these technologies for practical ***,the future development directions of AOPs for hospital wastewater decontamination and disinfection have been ***,this study provides a comparison and overview of these AOP systems in an attempt to raise extensive concerns about hospital wastewater decontamination and disinfection technologies and guide researchers to discover the future directions of technologies optimization,which would be a crucial step forward in the field of hospital sewage treatment.

关键词： Hospital sewage treatment Advanced oxidation processes Pharmaceutical contaminants Disinfection Decontamination

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Multi-Objective Equilibrium Optimizer for Feature Selection in High-Dimensional English Speech Emotion Recognition

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Computers, Materials & Continua 2024年第2期78卷 1957-1975页

作者： Liya Yue Pei Hu shu-chuan Chu Jeng-Shyang Pan Fanli Business School Nanyang Institute of TechnologyNanyang473004China School of Computer and Software Nanyang Institute of TechnologyNanyang473004China College of Computer Science and Engineering Shandong University of Science and TechnologyQingdao266590China Department of Information Management Chaoyang University of TechnologyTaichung413310Taiwan

Speech emotion recognition(SER)uses acoustic analysis to find features for emotion recognition and examines variations in voice that are caused by *** number of features acquired with acoustic analysis is extremely high,so we introduce a hybrid filter-wrapper feature selection algorithm based on an improved equilibrium optimizer for constructing an emotion recognition *** proposed algorithm implements multi-objective emotion recognition with the minimum number of selected features and maximum ***,we use the information gain and Fisher Score to sort the features extracted from ***,we employ a multi-objective ranking method to evaluate these features and assign different importance to *** with high rankings have a large probability of being ***,we propose a repair strategy to address the problem of duplicate solutions in multi-objective feature selection,which can improve the diversity of solutions and avoid falling into local *** random forest and K-nearest neighbor classifiers,four English speech emotion datasets are employed to test the proposed algorithm(MBEO)as well as other multi-objective emotion identification *** results illustrate that it performs well in inverted generational distance,hypervolume,Pareto solutions,and execution time,and MBEO is appropriate for high-dimensional English SER.

关键词： Speech emotion recognition filter-wrapper high-dimensional feature selection equilibrium optimizer multi-objective

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Verifying hierarchical network nonlocality in general quantum networks

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Chinese Physics B 2024年第7期33卷 199-208页

作者：杨舒媛侯晋川贺衎 College of Mathematics Taiyuan University of TechnologyTaiyuan 030024China

Recently, a class of innovative notions on quantum network nonlocality(QNN), called full quantum network nonlocality(FQNN), have been proposed in Phys. Rev. Lett. 128 010403(2022). As the generalization of full network nonlocality(FNN), l-level quantum network nonlocality(l-QNN) was defined in arxiv. 2306.15717 quant-ph(2024). FQNN is a NN that can be generated only from a network with all sources being non-classical. This is beyond the existing standard network nonlocality, which may be generated from a network with only a non-classical source. One of the challenging tasks is to establish corresponding Bell-like inequalities to demonstrate the FQNN or l-QNN. Up to now, the inequality criteria for FQNN and l-QNN have only been established for star and chain networks. In this paper, we devote ourselves to establishing Bell-like inequalities for networks with more complex structures. Note that star and chain networks are special kinds of tree-shaped networks. We first establish the Bell-like inequalities for verifying l-QNN in k-forked tree-shaped networks. Such results generalize the existing inequalities for star and chain networks. Furthermore, we find the Bell-like inequality criteria for l-QNN for general acyclic and cyclic networks. Finally, we discuss the demonstration of l-QNN in the well-known butterfly networks.

关键词： full network nonlocality hierarchical network nonlocality tree network

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Gradient sparsification for efficient wireless federated learning with differential privacy

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Science China(Information Sciences) 2024年第4期67卷 272-288页

作者： Kang WEI Jun LI chuan MA Ming DING Feng shu Haitao ZHAO Wen CheN Hongbo ZHU School of Electronic and Optical Engineering Nanjing University of Science and Technology Zhejiang Lab Key Laboratory of Computer Network and Information Integration(Southeast University) Ministry of Education Data61 Commonwealth Scientific and Industrial Research Organisation School of Information and Communication Engineering Hainan University School of Communications and Information Engineering Nanjing University of Posts and Telecommunications School of Electronic Information and Electrical Engineering Shanghai Jiao Tong University

Federated learning(FL) enables distributed clients to collaboratively train a machine learning model without sharing raw data with each other. However, it suffers from the leakage of private information from uploading models. In addition, as the model size grows, the training latency increases due to the limited transmission bandwidth and model performance degradation while using differential privacy(DP)protection. In this paper, we propose a gradient sparsification empowered FL framework with DP over wireless channels, to improve training efficiency without sacrificing convergence performance. Specifically, we first design a random sparsification algorithm to retain a fraction of the gradient elements in each client’s local model, thereby mitigating the performance degradation induced by DP and reducing the number of transmission parameters over wireless channels. Then, we analyze the convergence bound of the proposed algorithm, by modeling a non-convex FL problem. Next, we formulate a time-sequential stochastic optimization problem for minimizing the developed convergence bound, under the constraints of transmit power, the average transmitting delay, as well as the client’s DP requirement. Utilizing the Lyapunov drift-plus-penalty framework, we develop an analytical solution to the optimization problem. Extensive experiments have been implemented on three real-life datasets to demonstrate the effectiveness of our proposed algorithm. We show that our proposed algorithms can fully exploit the interworking between communication and computation to outperform the baselines, i.e., random scheduling, round robin, and delay-minimization algorithms.

关键词： federated learning differential privacy gradient sparsification Lyapunov drift convergence analysis

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Hybrid Optimization Algorithm for Handwritten Document Enhancement

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Computers, Materials & Continua 2024年第3期78卷 3763-3786页

作者： shu-chuan Chu Xiaomeng Yang Li Zhang Václav Snášel Jeng-Shyang Pan College of Computer Science and Engineering Shandong University of Science and TechnologyQingdao266590China School of Information and Control Engineering Qingdao University of TechnologyQingdao266520China Faculty of Electrical Engineering and Computer Science VŠB-TU OstravaOstrava70080Czech Republic Department of Information Management Chaoyang University of TechnologyTaichung41349Taiwan

The Gannet Optimization Algorithm (GOA) and the Whale Optimization Algorithm (WOA) demonstrate strong performance;however, there remains room for improvement in convergence and practical applications. This study introduces a hybrid optimization algorithm, named the adaptive inertia weight whale optimization algorithm and gannet optimization algorithm (AIWGOA), which addresses challenges in enhancing handwritten documents. The hybrid strategy integrates the strengths of both algorithms, significantly enhancing their capabilities, whereas the adaptive parameter strategy mitigates the need for manual parameter setting. By amalgamating the hybrid strategy and parameter-adaptive approach, the Gannet Optimization Algorithm was refined to yield the AIWGOA. Through a performance analysis of the CEC2013 benchmark, the AIWGOA demonstrates notable advantages across various metrics. Subsequently, an evaluation index was employed to assess the enhanced handwritten documents and images, affirming the superior practical application of the AIWGOA compared with other algorithms.

关键词： Metaheuristic algorithm gannet optimization algorithm hybrid algorithm handwritten document enhancement

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PIF4 interacts with ABI4 to serve as a transcriptional activator complex to promote seed dormancy by enhancing ABA biosynthesis and signaling

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Journal of Integrative Plant Biology 2024年第5期66卷 909-927页

作者： Xiaofeng Luo Yujia Dai Baoshan Xian Jiahui Xu Ranran Zhang Muhammad Saad Rehmani chuan Zheng Xiaoting Zhao Kaitao Mao Xiaotong Ren Shaowei Wei Lei Wang Juan he Weiming Tan Junbo Du Weiguo Liu shu Yuan Kai shu Shaanxi Key Laboratory of Qinling Ecological Intelligent Monitoring and Protection School of Ecology and EnvironmentNorthwestern Polytechnical UniversityXi'an 710129China Research&Development Institute of Northwestern Polytechnical University in ShenzhenShenzhen 518057China College of Agronomy and Biotechnology China Agricultural UniversityBeijing 100193China Institute of Ecological Agriculture Sichuan Agricultural UniversityChengdu 611130China College of Resources Sichuan Agricultural UniversityChengdu 611130China

Transcriptional regulation plays a key role in the control of seed dormancy,and many transcription factors(TFs)have been ***,the mechanisms underlying the interactions between different TFs within a transcriptional complex regulating seed dormancy remain largely ***,we showed that TF PHYTOCHROME-INTERACTING FACTOR4(PIF4)physically interacted with the abscisic acid(ABA)signaling responsive TF ABSCISIC ACID INSENSITIVE4(ABI4)to act as a transcriptional complex to promote ABA biosynthesis and signaling,finally deepening primary seed *** pif4 and abi4 single mutants exhibited a decreased primary seed dormancy phenotype,with a synergistic effect in the pif4/abi4 double ***4 binds to ABI4 to form a heterodimer,and ABI4 stabilizes PIF4 at the protein level,whereas PIF4 does not affect the protein stabilization of ***,both TFs independently and synergistically promoted the expression of ABI4 and NCED6,a key gene for ABA *** genetic evidence is also consistent with the phenotypic,physiological and biochemical analysis ***,this study revealed a transcriptional regulatory cascade in which the PIF4–ABI4 transcriptional activator complex synergistically enhanced seed dormancy by facilitating ABA biosynthesis and signaling.

关键词： ABA ABI4 PIF4 seed dormancy and germination transcriptional complex

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Review on laser directed energy deposited aluminum alloys

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International Journal of Extreme Manufacturing 2024年第2期6卷 84-131页

作者： Tian-shu Liu Peng Chen Feng Qiu Hong-Yu Yang Nicholas Tan Yew Jin Youxiang Chew Di Wang Ruidi Li Qi-chuan Jiang Chaolin Tan Singapore Institute of Manufacturing Technology(SIMTech) Agency for ScienceTechnology and Research(A∗STAR)5 Cleantech LoopSingapore 636732Singapore State Key Laboratory of Automotive Simulation and Control Jilin UniversityChangchun 130025People’s Republic of China Key Laboratory of Automobile Materials Ministry of Education and Department of Materials Science and EngineeringJilin UniversityChangchun 130025People’s Republic of China School of Mechanical&Automotive Engineering South China University of TechnologyGuangzhou 510640People’s Republic of China State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083People’s Republic of China

Lightweight aluminum(Al)alloys have been widely used in frontier fields like aerospace and automotive industries,which attracts great interest in additive manufacturing(AM)to process high-value Al *** a mainstream AM technique,laser-directed energy deposition(LDED)shows good scalability to meet the requirements for large-format component manufacturing and ***,LDED Al alloys are highly challenging due to their inherent poor printability(*** laser absorption,high oxidation sensitivity and cracking tendency).To further promote the development of LDED high-performance Al alloys,this review offers a deep understanding of the challenges and strategies to improve printability in LDED Al *** porosity,cracking,distortion,inclusions,element evaporation and resultant inferior mechanical properties(worse than laser powder bed fusion)are the key challenges in LDED Al *** parameter optimizations,in-situ alloy design,reinforcing particle addition and field assistance are the efficient approaches to improving the printability and performance of LDED Al *** underlying correlations between processes,alloy innovation,characteristic microstructures,and achievable performances in LDED Al alloys are *** benchmark mechanical properties and primary strengthening mechanism of LDED Al alloys are *** review aims to provide a critical and in-depth evaluation of current progress in LDED Al *** opportunities and perspectives in LDED high-performance Al alloys are also outlined.

关键词： additive manufacturing laser directed energy deposition(LDED) aluminum alloys printability aluminum matrix composite auxiliary fields mechanical properties

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