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Nano-Micro Letters 2025年第3期17卷 1-18页

作者： Sukhwa Hong Jiseon Kim Jaebeom Park Sunmi Im Michael R.Hoffmann Kangwoo Cho Division of Environmental science and Engineering Pohang University of Science and Technology(POSTECH)Pohang 790−784Korea Linde Laboratory California Institute of TechnologyPasadenaCA 91125USA Institute for Convergence Research and Education in Advanced technology(I‑CREATE) Yonsei University International CampusIncheon 21983Republic of Korea

Wastewater electrolysis cells(WECs)for decentralized wastewater treatment/reuse coupled with H_(2)production can reduce the carbon footprint associated with transportation of water,waste,and energy *** study reports Ir-doped NiFe_(2)O_(4)(NFI,~5 at%Ir)spinel layer with TiO_(2)overlayer(NFI/TiO_(2)),as a scalable heterojunction anode for direct electrolysis of wastewater with circumneutral pH in a single-compartment *** dilute(0.1 M)NaCl solutions,the NFI/TiO_(2)marks superior activity and selectivity for chlorine evolution reaction,outperforming the benchmark IrO_(2).Robust operation in near-neutral pH was *** including operando X-ray absorption spectroscopy unveiled crucial roles of TiO_(2) which serves both as the primary site for Cl−chemisorption and a protective layer for NFI as an ohmic *** electrolysis of NH4+-laden synthetic wastewater demonstrated that NFI/TiO_(2)not only achieves quasi-stoichiometric NH_(4)^(+)-to-N_(2)conversion,but also enhances H_(2)generation efficiency with minimal competing reactions such as reduction of dissolved oxygen and reactive *** scaled-up WEC with NFI/TiO_(2)was demonstrated for electrolysis of toilet wastewater.

关键词： Wastewater electrolysis cell Ir-doped NiFe_(2)O_(4) Reactive chlorine species Decentralized H_(2)production On-site wastewater treatment

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Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： Jia Zhao Taixi Feng Guimin Lu National Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

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Stochastic Augmented-Based Dual-Teaching for Semi-Supervised Medical Image Segmentation

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Computers, Materials & Continua 2025年第1期82卷 543-560页

作者： Hengyang Liu Yang Yuan Pengcheng Ren Chengyun Song Fen Luo School of Computer science and Engineering Chongqing University of TechnologyChongqing400054China College of Artificial Intelligence Chongqing Technology and Business UniversityChongqing400067China

Existing semi-supervisedmedical image segmentation algorithms use copy-paste data augmentation to correct the labeled-unlabeled data distribution ***,current copy-paste methods have three limitations:(1)training the model solely with copy-paste mixed pictures from labeled and unlabeled input loses a lot of labeled information;(2)low-quality pseudo-labels can cause confirmation bias in pseudo-supervised learning on unlabeled data;(3)the segmentation performance in low-contrast and local regions is less than *** design a Stochastic Augmentation-Based Dual-Teaching Auxiliary Training Strategy(SADT),which enhances feature diversity and learns high-quality features to overcome these *** be more precise,SADT trains the Student Network by using pseudo-label-based training from Teacher Network 1 and supervised learning with labeled data,which prevents the loss of rare labeled *** introduce a bi-directional copy-pastemask with progressive high-entropy filtering to reduce data distribution disparities and mitigate confirmation bias in *** the mixed images,Deep-Shallow Spatial Contrastive Learning(DSSCL)is proposed in the feature spaces of Teacher Network 2 and the Student Network to improve the segmentation capabilities in low-contrast and local *** this procedure,the features retrieved by the Student Network are subjected to a random feature perturbation *** two openly available datasets,extensive trials show that our proposed SADT performs much better than the state-ofthe-art semi-supervised medical segmentation *** only 10%of the labeled data for training,SADT was able to acquire a Dice score of 90.10%on the ACDC(Automatic Cardiac Diagnosis Challenge)dataset.

关键词： Semi-supervised medical image segmentation contrastive learning stochastic augmented

Sequence-activated chemiluminescence probes: programmable illumination for high-contrast in vivo sensing and imaging

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science China Chemistry 2025年第1期68卷 26-34页

作者： Yutao Zhang Juan Li Wei-Hong Zhu Zhiqian Guo Shanghai Key Laboratory of Functional Materials Chemistry Joint International Research Laboratory of Precision Chemistry and Molecular Engineering Institute of Fine Chemicals School of Chemistry and Molecular Engineering East China University of Science and Technology State Key Laboratory of Bioreactor Engineering Shanghai Frontier Science Research Base of Optogenetic Techniques for Cell MetabolismEast China University of Science & Technology

Sequence-activated chemiluminescence(CL) technique offers a unique approach to detecting specific biomolecules or cellular events with high sensitivity and spatial resolution. The fundamental principle behind sequence-activated CL probes involves tailoring highly-controllable CL signals in response to specific sequences or events of interest, thus enabling high-contrast signals under complex physiological conditions. This sequential activation could be triggered by enzymes, reactive oxygen species(ROS), biothiols or changes in the microenvironment. These unique sequence-activated CL probes bestow several advantages, including minimal background, deep-tissue penetration, and the ability of non-invasive or minimally invasive detection. The sequence-activated CL techniques represent a significant advancement in molecular imaging and diagnostics. In this mini-review, we focus on the latest developments in sequential CL probes, addressing the technical challenges and discussing the future trajectory by harnessing CL signaling and molecular recognition.

关键词： chemiluminescnece sequence-activation in-vivo bioimaging cyclic peroxide

Discovery of a new family member of arsenic–vanadium polyoxometalates with high catalytic performance for one-pot coupling of CO2, epoxides and amines

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Tungsten 2025年第1期7卷 80-87页

作者： Fang-Qian Wang Yin Zhang Wei-Wei Wang Mei-Qian Fu Hong-Bing Mo Wei-Dong Yu Chao Liu Jun Yan College of Chemistry and Chemical Engineering Central South University Junior Education Department Changsha Normal University School of science Hunan University of Technology and Business

Arsenic-vanadium polyoxometalates（POMs） represent a family of tremendous potential catalysts owing to their peculiar physical and chemical *** in CO2conversion,using POMs to catalyze the conversion of CO2and epoxide into chemical intermediates is the research ***,A new family number of arsenic-vanadium POMs,[N（CH3）4]4[As8V12O38（H2O）]·2H2O({As8V12O38}),was reported and characterized by single-crystal X-ray diffraction,fourier transform infrared spectroscopy,X-ray photoelectron spectroscopy,*** from other allotropicity,{As8V12O38}shows a different structure pattern with an I-43d *** obtained {As8V12O38} was employed as a catalyst for the *** initial catalytic reaction confirmed that {As8V12O38} can catalyze the formation of epoxy carbonate by using 1.01 kPa CO2and epoxide at 70℃.Furtherly,when added amine in the catalytic system,oxazolidinone could be obtained by high yields,which provides an efficient way to convert CO2into profitable ***,a possible catalytic reaction mechanism was proposed by using different characterization analyses.{As8V12O38} first catalyzes the epoxide and CO2to form an epoxy carbonate and then catalyzes epoxy carbonate and benzylamine into oxazolidinone.

关键词： Arsenic CO2 conversion Oxazolidinone Polyoxometalates Vanadium

Metal-organic frameworks with dinuclear metal centers for synergistically boosting CO2 photoreduction

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science China Chemistry 2025年第1期68卷 201-208页

作者： Hui-Feng Wang Wen-Jie Shi Yu-Xin Yang Bao-Xia Dong Tong-Bu Lu Di-Chang Zhong School of Chemistry and Chemical Engineering Yangzhou University Institute for New Energy Materials and Low Carbon Technologies School of Materials Science and Engineering Tianjin University of Technology

Dinuclear metal synergistic catalysis （DMSC） has been proved powerful in boosting CO2reduction,while this has not been achieved in heterogeneous catalysts with long-range order *** this study,we,by introduction of metal catalytic centers into an indium-based metal-organic framework （MOF）,obtained a series of isostructural In-MOFs,including three MOFs with mononuclear metal catalytic center （M-In）,three MOFs with dinuclear homometallic catalytic centers （MM-In）,and three MOFs with dinuclear heterometallic catalytic centers (MM’-In,M/M’=Co（II）,Ni（II）,Zn（II）).It was found that all these MOFs can serve as catalysts for photochemical CO2reduction to *** with M-In,the catalytic activities of MM-In were obviously enhanced,and that of MM’-In was further significantly *** example,the CO yield of Co Zn-In reaches a record value of 12,700μmol g-1h-1,which is 4.0,8.1,9.4,and 18.6-fold higher than that of Co Co-In,Zn Zn-In,Co-In,and Zn-In,***,the catalytic activities of Co Ni-In and Ni Zn-In also show different fold increase than those of corresponding dinuclear homometallic and mononuclear metallic *** results of control experiments and theoretical calculation reveal that the higher catalytic activities of MM-In over M-In can be ascribed to the DMSC effect,and the higher catalytic activity of MM’-In over MM-In can be ascribed to the strengthened DMSC *** work reveals the relationship between DMSC effect and bimetal centers in CO2reduction,which provides new insights into the DMSC and paves a new way to design highly active catalysts for photochemical CO2reduction.

关键词： metal-organic frameworks dinuclear metal centers synergistic catalysis CO2 reduction photocatalysis

Preparation of silver nanoparticles through the reduction of straw-extracted lignin and its antibacterial hydrogel

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 504-514页

作者： Lou Zhang Shuo Li Fu Tang Jingkai Zhang Yuetong Kang Hean Zhang Lidong Li State Key Laboratory for Advanced Metals and Materials School of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing 100083China

Silver nanoparticles(Ag NPs)have attracted attention in the field of biomaterials due to their excellent antibacterial ***,the reducing and stabilizing agents used for the chemical reduction of Ag NPs are usually toxic and may cause water *** this work,Ag NPs(31.2 nm in diameter)were prepared using the extract of straw,an agricultural waste,as the reducing and stabilizing *** analysis revealed that the straw extract contained lignin,the structure of which possesses phenolic hydroxyl and methoxy groups that facilitate the reduction of silver salts into Ag *** surfaces of Ag NPs were negatively charged due to the encapsulation of a thin layer of lignin molecules that prevented their *** the prepared Ag NPs were added to the precursor solution of acrylamide,free radical polymerization was triggered without the need for extra heating or light irradiation,resulting in the rapid formation of an Ag NP-polyacrylamide composite *** inhibition zone test proved that the composite hydrogel possessed excellent antibacterial ability due to the presence of Ag *** prepared hydrogel may have potential applications in the fabrication of biomedical materials,such as antibacterial dressings.

关键词： silver nanoparticles hydrogel straw extraction antibacterial

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Copper-catalyzed C–H bond functionalization enabled by programmed alternating current

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science China Chemistry 2025年第1期68卷 10-11页

作者： Zhoumei Tan Kun Xu Chengchu Zeng Beijing Key Laboratory of Environmental and Viral Oncology College of Chemistry and Life Science Beijing University of Technology

Synthetic electrochemistry has been selected as one of the Top Ten Emerging Technologies in Chemistry in 2023 by International Union of Pure and Applied Chemistry (IUPAC)[1]. It has emerged as a sustainable platform for organic synthesis and has exhibited a wide range of applications from academia to industry [2]. However, electrosynthesis has been predominantly performed by using direct current (DC).

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Unlocking the stable interface in aqueous zinc-ion battery with multifunctional xylose-based electrolyte additives

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Journal of Energy Chemistry 2025年第1期100卷 770-778页

作者： Xiaoqin Li Jian Xiang Lu Qiu Xiaohan Chen Yinkun Zhao Yujue Wang Qu Yue Taotao Gao Wenlong Liu Dan Xiao Zhaoyu Jin Panpan Li Institute for Advanced Study Chengdu University School of Mechanical Engineering Chengdu University College of Food and Biological Engineering Chengdu University Institute of Fundamental and Frontier sciences University of Electronic Science and Technology of China College of Materials science and Engineering Sichuan University

The growth of dendrites and the side reactions occurring at the Zn anode pose significant challenges to the commercialization of aqueous Zn-ion batteries（AZIBs）. These challenges arise from the inherent conflict between mass transfer and electrochemical kinetics. In this study, we propose the use of a multifunctional electrolyte additive based on the xylose（Xylo） molecule to address these issues by modulating the solvation structure and electrode/electrolyte interface, thereby stabilizing the Zn anode. The introduction of the additive alters the solvation structure, creating steric hindrance that impedes charge transfer and then reduces electrochemical kinetics. Furthermore, in-situ analyses demonstrate that the reconstructed electrode/electrolyte interface facilitates stable and rapid Zn2+ion migration and suppresses corrosion and hydrogen evolution reactions. As a result, symmetric cells incorporating the Xylo additive exhibit significantly enhanced reversibility during the Zn plating/stripping process, with an impressively long lifespan of up to 1986 h, compared to cells using pure ZnSO4electrolyte. When combined with a polyaniline cathode, the full cells demonstrate improved capacity and long-term cyclic stability. This work offers an effective direction for improving the stability of Zn anode via electrolyte design, as well as highperformance AZIBs.

关键词： Solvation

Bilevel Optimal Scheduling of Island Integrated Energy System Considering Multifactor Pricing

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Energy Engineering 2025年第1期122卷 349-378页

作者： Xin Zhang Mingming Yao Daiwen He Jihong Zhang Peihong Yang Xiaoming Zhang School of Automation and Electrical Engineering Inner Mongolia University of Science and TechnologyBaotou014010China

In this paper,a bilevel optimization model of an integrated energy operator(IEO)–load aggregator(LA)is constructed to address the coordinate optimization challenge of multiple stakeholder island integrated energy system(IIES).The upper level represents the integrated energy operator,and the lower level is the electricity-heatgas load *** to the benefit conflict between the upper and lower levels of the IIES,a dynamic pricing mechanism for coordinating the interests of the upper and lower levels is proposed,combined with factors such as the carbon emissions of the IIES,as well as the lower load interruption *** price of selling energy can be dynamically adjusted to the lower LA in the mechanism,according to the information on carbon emissions and load interruption *** benefits and win-win situations are achieved between the upper and lower ***,CPLEX is used to iteratively solve the bilevel optimization *** optimal solution is selected according to the joint optimal discrimination *** results indicate that the sourceload coordinate operation can reduce the upper and lower operation *** the proposed pricingmechanism,the carbon emissions and load interruption power of IEO-LA are reduced by 9.78%and 70.19%,respectively,and the capture power of the carbon capture equipment is improved by 36.24%.The validity of the proposed model and method is verified.

关键词： Bilevel optimal scheduling load aggregator integrated energy operator carbon emission dynamic pricing mechanism