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Potential dependence in electrocatalysis: a theoretical perspective

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Science China Chemistry 2025年第1期68卷 21-25页

作者： Leyu Liu Zhaoming xia Zeyu Wang Yinjuan Chen Hai xiao Department of Chemistry Tsinghua University Fundamental Science Center of Rare Earths Ganjiang Innovation Academy Chinese Academy of Sciences Key Laboratory of Advanced Catalytic Materials and Technology Advanced Catalysis and Green Manufacturing Collaborative Innovation Center Changzhou University

Electrocatalysis is a key technology for the new energy era and sustainable development, serving as the interface for interconversion of electrical and chemical energies, which spans a wide spectrum of applications in sustainable energy and environmental engineering. Electrocatalytic reactions including electrochemical CO2reduction reaction （eCO2RR）, hydrogen evolution reaction （HER）, and oxygen evolution/reduction reactions （OER/ORR）, hold essential promise for renewable energy technologies as well as complement the biogeochemical carbon and oxygen cycles.

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Inexact proximal gradient algorithm with random reshuffling for nonsmooth optimization

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Science China(Information Sciences) 2025年第1期68卷 219-237页

作者： xia JIANG Yanyan FANG xianlin ZENG Jian SUN Jie CHEN National Key Lab of Autonomous Intelligent Unmanned Systems School of AutomationBeijing Institute of Technology Beijing Institute of Technology Chongqing Innovation Center School of Electronic and Information Engineering Tongji University

Proximal gradient algorithms are popularly implemented to achieve convex optimization with nonsmooth regularization. Obtaining the exact solution of the proximal operator for nonsmooth regularization is challenging because errors exist in the computation of the gradient; consequently, the design and application of inexact proximal gradient algorithms have attracted considerable attention from researchers. This paper proposes computationally efficient basic and inexact proximal gradient descent algorithms with random reshuffling. The proposed stochastic algorithms take randomly reshuffled data to perform successive gradient descents and implement only one proximal operator after all data pass through. We prove the convergence results of the proposed proximal gradient algorithms under the sampling-without-replacement reshuffling *** computational errors exist in gradients and proximal operations, the proposed inexact proximal gradient algorithms can converge to an optimal solution neighborhood. Finally, we apply the proposed algorithms to compressed sensing and compare their efficiency with some popular algorithms.

关键词： proximal operator random reshuffling inexact computation compressed sensing nonsmooth optimization

Intermolecular reductive coupling of aliphatic ketones with alkynes and alkenes by BCN photocatalysts

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Science China Chemistry 2025年第1期68卷 181-185页

作者： Yanping xia Luyang Sun Jiajia Cheng Sibo Wang Meifang Zheng Xinchen Wang State Key Laboratory of Photocatalysis on Energy and Environment College of Chemistry Fuzhou University

A photocatalytic process was developed for intermolecular reductive coupling of aliphatic ketones with alkynes/alkenes to furnish tertiary alcohols. Mechanistic studies support that boron carbonitrides(BCN) promote the single electron reduction of unactivated aliphatic ketones to generate ketyl radicals with visible light irradiation, which then react with alkynes and alkenes to afford the allylic and aliphatic alcohols, respectively. The heterogeneous photocatalytic system is compatible with diverse substrates including pharmaceutical-related molecules(43 examples) with reusability and scale-up experiments, verifying the complementary synthetic utility of this method to the homogeneous catalysts.

关键词： aliphatic ketones ketyl radical intermolecular cross-coupling tertiary alcohols

Prospects on mangrove knowledge services in the smart era: From plant atlas to knowledge graphs

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Science China Earth Sciences 2025年第1期68卷 111-127页

作者： Zhi-Wei HOU Wenlong JING Cheng-Zhi QIN Ji YANG Qing xia xiaoling YIN Key Laboratory of Guangdong for Utilization of Remote Sensing and Geographical Information System Guangdong Open Laboratory of Geospatial Information Technology and Application Guangzhou Institute of Geography Guangdong Academy of Sciences Southern Marine Science and Engineering Guangdong Laboratory (Guangzhou) State Key Laboratory of Resources and Environmental Information System Institute of Geographic Sciences and Natural Resources ResearchChinese Academy of Sciences College of Resources and Environment University of Chinese Academy of Sciences School of Traffic & Transportation Engineering Changsha University of Science and Technology

Mangroves are crucial to the ecological security of the Earth and human well-being. Their management, conservation, and restoration are of great importance and necessitate the support of spatio-temporal information and multidisciplinary knowledge such as biology and ecology. Traditional knowledge services such as plant atlas provide illustrated textual knowledge of mangroves. However, this kind of service is oriented to information retrieval and is incapable of effectively mining and utilizing fragmented knowledge from multi-source heterogeneous data, facing the problem of “massive data, rare knowledge”. Knowledge graphs are capable of extracting, organizing, and fusing the knowledge contained in massive data into semantic networks that can be understood and computed by computers. They provide a solution for the realization of intelligent knowledge services. Focusing on the urgent need for mangrove knowledge acquisition, formal representation, and intelligent services, this paper proposes a research prospect on mangrove knowledge graphs and knowledge services. We first analyze the similarities and differences between various domain-specific concepts of Tupu. On this basis, we define the mangrove knowledge graph as a large-scale knowledge base that integrates multi-disciplinary knowledge and spatio-temporal information with mangrove ecosystems as the core. Then, we propose a research framework for mangrove knowledge services that can realize the transformation from multi-modal data to intelligent knowledge services, including multiple research levels such as ubiquitous data sensing and aggregation, knowledge organization and graph construction, and intelligent mangrove knowledge services. Subsequently, the methods and workflow for constructing mangrove knowledge graphs are introduced. Finally, we discuss the challenges and possible future directions of mangrove knowledge services in the smart era, including the construction of a mangrove knowledge system that integra

关键词： Mangrove Tupu Knowledge graph Multi-modal Knowledge service

Efficient OpenMP Based Z-curve Encoding and Decoding Algorithms

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Computers, Materials & Continua 2025年第1期82卷 1313-1327页

作者： Zicheng Zhou Shaowen Sun Teng Liang Mengjuan Li Fengling xia School of Electronic Science and Engineering University of Electronic Science and Technology of ChinaChengdu611731China Faculty of Information Engineering and Automation Kunming University of Science and TechnologyKunming650500China School of Communications Information Engineering Yunnan Communications Vocational and Technical CollegeKunming650500China Library Yunnan Normal UniversityKunming650500China Faculty of Civil Aviation and Aeronautics Kunming University of Science and TechnologyKunming650500China

Z-curve’s encoding and decoding algorithms are primely important in many Z-curve-based *** bit interleaving algorithm is the current state-of-the-art algorithm for encoding and decoding *** simple,its efficiency is hindered by the step-by-step coordinate shifting and bitwise *** tackle this problem,we first propose the efficient encoding algorithm LTFe and the corresponding decoding algorithm LTFd,which adopt two optimization methods to boost the algorithm’s efficiency:1)we design efficient lookup tables(LT)that convert encoding and decoding operations into table-lookup operations;2)we design a bit detection mechanism that skips partial order of a coordinate or a Z-value with consecutive 0s in the front,avoiding unnecessary iterative *** propose order-parallel and point-parallel OpenMP-based algorithms to exploit the modern multi-core *** results on discrete,skewed,and real datasets indicate that our point-parallel algorithms can be up to 12.6×faster than the existing algorithms.

关键词： Z-curve lookup table OpenMP bit detection mechanism

Subretinal fibrosis secondary to neovascular age-related macular degeneration:mechanisms and potential therapeutic targets

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Neural Regeneration Research 2025年第2期20卷 378-393页

作者： Jingxiang Zhang xia Sheng Quanju Ding Yujun Wang Jiwei Zhao Jingfa Zhang Department of Ophthalmology People’s Hospital of Huangdao DistrictQingdaoShandong ProvinceChina Department of Urology People’s Hospital of Huangdao DistrictQingdaoShandong ProvinceChina Department of Ophthalmology Shanghai General Hospital(Shanghai First People’s Hospital)Shanghai Jiao Tong University School of MedicineShanghaiChina National Clinical Research Center for Eye Diseases Shanghai Key Laboratory of Ocular Fundus DiseasesShanghai Engineering Center for Visual Science and PhotomedicineShanghai Engineering Center for Precise Diagnosis and Treatment of Eye DiseasesShanghaiChina

Subretinal fibrosis is the end-stage sequelae of neovascular age-related macular *** causes local damage to photoreceptors,retinal pigment epithelium,and choroidal vessels,which leads to permanent central vision loss of patients with neovascular age-related macular *** pathogenesis of subretinal fibrosis is complex,and the underlying mechanisms are largely ***,there are no effective treatment options.A thorough understanding of the pathogenesis of subretinal fibrosis and its related mechanisms is important to elucidate its complications and explore potential *** current article reviews several aspects of subretinal fibrosis,including the current understanding on the relationship between neovascular age-related macular degeneration and subretinal fibrosis;multimodal imaging techniques for subretinal fibrosis;animal models for studying subretinal fibrosis;cellular and non-cellular constituents of subretinal fibrosis;pathophysiological mechanisms involved in subretinal fibrosis,such as aging,infiltration of macrophages,different sources of mesenchymal transition to myofibroblast,and activation of complement system and immune cells;and several key molecules and signaling pathways participating in the pathogenesis of subretinal fibrosis,such as vascular endothelial growth factor,connective tissue growth factor,fibroblast growth factor 2,platelet-derived growth factor and platelet-derived growth factor receptor-β,transforming growth factor-βsignaling pathway,Wnt signaling pathway,and the axis of heat shock protein 70-Toll-like receptors 2/*** review will improve the understanding of the pathogenesis of subretinal fibrosis,allow the discovery of molecular targets,and explore potential treatments for the management of subretinal fibrosis.

关键词： choroidal neovascularization epithelial-mesenchymal transition mesenchymal transition myofibroblast neovascular age-related macular degeneration submacular fibrosis subretinal fibrosis therapeutic targets transforming growth factor-β vascular endothelial growth factor

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CaH2-promoted activity of Ni-carbonate interface for CO2 methanation

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Journal of Energy Chemistry 2025年第1期100卷 522-532页

作者： Jin-Peng Wang Guo-Cui Mao Hui-Lin Jiang Bao-xia Dong Yun-Lei Teng School of Chemistry and Chemical Engineering Yangzhou University

Transition metal-carbonate interfaces often act as active sites in heterogeneous catalytic *** interface between transition metal and metal carbonate exhibits a dynamic equilibrium during the CO2hydrogenation reaction,involving surface carbonate hydrogenation and ***,there have been few reports on engineering the activity of the interface between transition metal and alkaline earth metal carbonate for catalytic *** work demonstrated that the incorporation of CaH2in Ni/CaCO3enhances the CO2methanation activity of the *** CO2conversion for Ni/CaH2-CaCO3reached 68.5%at 400°C,which was much higher than that of the Ni/CaCO3（31.6%） and Ni/CaH2-CaO （42.4%） ***,the Ni/CaH2-CaCO3catalysts remained stable during the stability test for 24 h at 400°C and 8 *** research revealed that CaH2played a crucial role in promoting the activity of the Ni-carbonate interface for ***2could modify the electronic structure of Ni and tune the structural properties of CaCO3to generate medium basic sites （OH groups）,which are favorable for the activation of H2and ***-situ Fourier transform infrared spectroscopy （FTIR） analysis combined with density functional theory calculations demonstrated that CO2activation occurs at the hydroxyl group （OH） on the CaH2-modified Ni-carbonate surface,leading to the formation of CO3H****,our study has confirmed that CO2methanation over the Ni/CaH2-CaCO3catalysts proceeds via the formate pathway.

关键词： CO 2 methanation Metal hydride Ni catalysts Carbonate Metal-carbonate interface

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

Actively tunable electromagnetically induced transparency in hybrid Dirac-VO2 metamaterials

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Optoelectronics Letters 2025年第1期21卷 13-20页

作者： DI Ke XIE Meng xia Huarong CHENG Anyu LIU Yu DU Jiajia Department of Optoelectronic Engineering Chongqing University of Post and Telecommunications Chongqing Key Laboratory of Autonomous Navigation and Microsystem Chongqing University of Posts and Telecommunications Department of Automation Chongqing University of Post and Telecommunications

In this paper, we present a metamaterial structure of Dirac and vanadium dioxide（VO2） and investigate its optical properties using the finite-difference time-domain（FDTD） technique. Using the phase transition feature of VO2, the design can realize active tuning of the plasmon induced transparency（PIT） effect at terahertz frequency, thereby converting from a single PIT to a double-PIT. When VO2is in the insulating state, the structure is symmetric to obtain a single-band PIT effect. When VO2is in the metallic state, the structure turns asymmetric to realize a dual-band PIT effect. This design provides a reference direction for the design of actively tunable metamaterials. Additionally, it is discovered that the transparent window's resonant frequency and the Fermi level in this structure have a somewhat linear relationship. In addition, the structure achieves superior refractive index sensitivity in the terahertz band, surpassing 1 THz/RIU. Consequently, the design exhibits encouraging potential for application in refractive index sensors and optical switches.

关键词： Transparency