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Engineering atomic Rb-N configurations to tune radical pathways for highly selective photocatalytic H2O2 synthesis coupled with biomass valorization

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Journal of Energy Chemistry 2025年第1期100卷 215-225页

作者： Jiaye Li Shuang Pan Yihuang Chen Qiong Liu College of Chemistry and Materials Engineering Wenzhou University Guangdong Provincial Key laboratory of Chemical Measurement and Emergency Test technology (China) Institute of Analysis Guangdong Academy of Sciences (China National Analytical CenterGuangzhou)

Photocatalytic oxygen reduction for hydrogen peroxide （H2O2） synthesis presents a green and costeffective production ***,achieving highly selective H2O2synthesis remains challenging,necessitating precise control over free radical reaction pathways and minimizing undesirable oxidative ***,we report for the visible light-driven simultaneous co-photocatalytic reduction of O2to H2O2and oxidation of biomass using the atomic rubidium-nitride modified carbon nitride（CNRb）.The optimized CNRb catalyst demonstrates a record photoreduction rate of 8.01 mM h-1for H2O2generation and photooxidation rate of 3.75 mM h-1for furfuryl alcohol to furoic acid,achieving a remarkable solar-to-chemical conversion （SCC） efficiency of up to 2.27%.Experimental characterizations and DFT calculation disclosed that the introducing atomic Rb–N configurations allows for the high-selective generation of superoxide radicals while suppressing hydroxyl free radical *** is because the Rb–N serves as the new alternative site to perceive a stronger connection position for O2adsorption and reinforce the capability to extract protons,thereby triggering a high selective redox product *** study holds great potential in precisely regulating reactive radical processes at the atomic level,thereby paving the way for efficient synthesis of H2O2coupled with biomass valorization.

关键词： Free radical reactions

E-PRedictor: an approach for early prediction of pull request acceptance

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Science China(Information Sciences) 2025年

作者： Kexing CHEN Lingfeng BAO Xing HU Xin XIA Xiaohu YANG State Key laboratory of Blockchain and data Security Zhejiang University Software Engineering Application technology Lab

A pull request (PR) is an event in Git where a contributor asks project maintainers to review code he/she wants to merge into a project. The PR mechanism greatly improves the efficiency of distributed software development in the opensource community. Nevertheless, the massive number of PRs in an open-source software (OSS) project increases the workload of developers. To reduce the burden on developers, many previous studies have investigated factors that affect the chance of PRs getting accepted and built prediction models based on these factors. However, most prediction models are built on the data after PRs are submitted for a while (e.g., comments on PRs), making them not useful in practice. Because integrators still need to spend a large amount of effort on inspecting PRs. In this study, we propose an approach named E-PRedictor (earlier PR predictor) to predict whether a PR will be merged when it is created. E-PRedictor combines three dimensions of manual statistic features (i.e., contributor profile, specific pull request, and project profile) and deep semantic features generated by BERT models based on the description and code changes of PRs. To evaluate the performance of E-PRedictor, we collect475192 PRs from 49 popular open-source projects on GitHub. The experiment results show that our proposed approach can effectively predict whether a PR will be merged or not. E-PRedictor outperforms the baseline models (e.g., Random Forest and VDCNN) built on manual features significantly. In terms of F1@Merge, F1@Reject, and AUC (area under the receiver operating characteristic curve), the performance of E-PRedictor is 90.1%, 60.5%, and 85.4%, respectively.

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Spin-modulated near-infrared-Ⅰ emission in a xanthene-decorated Fe(Ⅱ) spin-crossover complex

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Science China Chemistry 2025年

作者： Cheng Yi Duyong Chen Shihui Zhang Rui Cai Chunying Duan Yinshan Meng Tao Liu State Key laboratory of Fine Chemicals Frontier Science Center for Smart Materials and Chemical Engineering School of Chemical Engineering Dalian University of Technology Instrumental analysis Center Dalian University of Technology School of Chemistry Dalian University of Technology Liaoning Binhai laboratory

Molecular materials showing synergetic coupling of near-infrared （NIR） fluorescence and spin-crossover （SCO） are promisingly applicable in in-vivo bioimaging,temperature sensing,and spintronic *** the related study faces formidable *** this work we graft the NIR fluorophore xanthene onto the dipyridyl substituted triazole ligand and construct a new Febased SCO material,{FeⅡ（ddxc-abpt）2[N（CN）2]2}(1,ddxc-abpt:（E）-4-(((3,5-di（pyridin-2-yl）-4H-1,2,4-triazol-4-yl)imino)methyl)-N,N-diethyl-2,3-dihydro-1H-xanthen-6-amine).Magnetic studies indicate that compound 1 exhibits thermally induced SCO property in both the solid and solution ***-temperature fluorescence emission spectra reveal a remarkable 7-fold increase in photoluminescence intensity upon the transition from the low-spin state at 110 K to the high-spin state at 280 K,which is the record of all reported coupled fluorescence-SCO ***-temperature ultraviolet-visible （UV-Vis）absorption spectra show a significant change in absorption intensity within the fluorescence emission window,consistent with the F?rster resonance energy transfer （FRET） ***-dependent density functional theory （TD-DFT） calculations demonstrate that the strong coupling is attributed to disrupted energy transfer between the xanthene fluorophore and high-spin *** work provides a feasible approach for expanding the synergetic SCO-fluorescence materials to the NIR-Iwavelength region,and hopefully contributes to the applications of tunable NIR-SCO molecule-based sensors and devices.

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Simulations of electron zebra stripes in the inner radiation belt using a composite empirical electric field model

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Science China Earth Sciences 2025年第1期68卷 27-38页

作者： Ziyang WANG Ying LIU Qiugang ZONG Hong ZOU Yuguang YE Xuzhi ZHOU Chao YUE Shan WANG Institute of Space Physics and Applied technology Peking University State Key laboratory of Lunar and Planetary Science Macau University of Science and Technology

The phenomenon termed “zebra stripes” manifests as regular patterns in the energy-space(L shell) spectrum of energetic electrons(ranging from tens to hundreds ke V) within the inner radiation belt. These structures exhibit drift-periodic behavior and commonly arise from large-scale electric field perturbations near the substorm onsets. In this study, we introduce a composite electric field model and replicate the formation, structure, and evolution of zebra stripes using a bounce-averaged test particle code under this electric field model. High-resolution measurements of energetic electrons obtained from the Van Allen Probes and the recently launched Macao Science Satellites-1 are used as initial conditions and served to validate our test particle simulations. Comparative analyses between observed data and simulations demonstrate our test particle method's efficacy in capturing zebra stripes' general behavior. Moreover, the composite model proves capable of reproducing realistic variations in the electric field within the inner radiation belt to a certain extent. Nevertheless, subtle differences emerge in the flux strength and the positions of stripes. These disparities primarily stem from limitations inherent in the electric field model and the initial conditions of the simulation. Acknowledging that the model represents an average case, it is conceivable that real-world scenarios may deviate from the average, thereby introducing variations in the observed phenomena.

关键词： Zebra stripes Inner radiation belt Large-scale electric fields Van Allen Probes Macao Science Satellite

Calibration of the Solar X-ray Detector on-board the Macao Science Satellite-1B for Soft X-ray Detection

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Science China Earth Sciences 2025年第1期68卷 11-26页

作者： Man-Hei NG Xiaoping ZHANG Jianwu CHEN Yongqiang SHI Fuchang ZUO Wenxi PENG Weichun FU Liansheng LI Pengwei LUO Chi-Long TANG Guozheng ZHANG Zhiwu MEI Li WANG Cunhui LI Jiaming OU Yanyan XU State Key laboratory of Lunar and Planetary Sciences Macau University of Science and Technology China National Space Administration (CNSA) Macau Center for Space Exploration and Science Space Optoelectronic Measurement and Perception laboratory Beijing Institute of Control Engineering Institute of High Energy Physics Chinese Academy of Sciences Science and technology on Vacuum technology and Physics laboratory Lanzhou Institute of Physics

The Solar X-ray Detector(SXD) on-board the Macao Science Satellite-1B(MSS-1B) was successfully launched via the Chinese Long March-2C rocket on 21 May 2023, and commenced operations in early June of the same year. The MSS-1B/Soft X-ray Detection Units(SXDUs) employ two silicon drift detectors(SDDs), providing a wide range of energy spectra spanning from 0.7 to 24 keV. Notably, the SXDUs deliver a high-resolution capability of 0.14 keV@5.9 keV and operate with a time cadence of 1 second. Here, we perform thorough calibrations of the MSS-1B/SXDUs, employing a combination of ground experiments and simulations. In addition, quantitative analysis comparing the flux measurements obtained by the MSS-1B/SXDUs to the data collected by the Geostationary Operational Environmental Satellite(GOES), provides compelling evidence of their consistency. Furthermore, the preliminary spectral analysis results showcase the robustness and expected performance of the MSS-1B/SXDUs, unlocking their potential for facilitating the study of dynamic evolution of solar flares. Moreover, the innovative MSS-1B/Solar X-ray Detector facilitates concurrent observations of solar soft and hard X-rays, thereby making valuable contributions to the advancements in solar research.

关键词： Macao Science Satellite-1B (MSS-1B) Calibration Solar X-Ray Detector Spectrometer Soft X-rays Solar flares Solar abundances

Investigation of bubbles escape behavior from low basicity mold flux for high-Mn high-Al steels using 3D X-ray microscope

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 102-110页

作者： Qiang Liu Xiang Li Shen Du Ming Gao Yanbin Yin Jiongming Zhang State Key laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China

During the continuous casting process of high-Mn high-Al steels,various types of gases such as Ar need to escape through the top of the *** which,the behavior of bubbles traversing the liquid slag serves as a restrictive link,closely associated with viscosity and the thickness of liquid *** contrast to two-dimensional surface observation,three-dimensional(3D)analysis method can offer a more intuitive,accurate,and comprehensive ***,this study employs a 3D X-ray microscope(3D-XRM)to obtained spatial distribution and 3D morphological characteristics of residual bubbles in mold flux under different basicity of liquid slag,different temperatures,and different holding *** results indicate that as basicity of slag increases from 0.52 to 1.03,temperature increases from 1423 to 1573 K,the viscosity of slag decreases,the floating rate of bubbles *** addition,when holding time increases from 10 to 30 s,the bubbles floating distance increases,and the volume fraction and average equivalent sphere diameter of the bubbles solidified in the mold flux gradually *** one word,increasing the basicity,temperature,and holding time leading to an increase in the removal rate of bubbles especially for the *** findings of bubbles escape behavior provide valuable insights into optimizing low basicity mold flux for high-Mn high-Al steels.

关键词： mold flux low basicity bubbles three-dimensional X-ray microscope viscosity

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Correlation between the rock mass properties and maximum horizontal stress:A case study of overcoring stress measurements

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 39-48页

作者： Peng Li Meifeng Cai Shengjun Miao Yuan Li Yu Wang Key laboratory of Ministry of Education for Efficient Mining and Safety of Metal Mines University of Science and Technology BeijingBeijing 100083China State Key laboratory of Coal Resources and Safe Mining China University of Mining and TechnologyXuzhou 221116China

Understanding the mechanical properties of the lithologies is crucial to accurately determine the horizontal stress *** investigate the correlation between the rock mass properties and maximum horizontal stress,the three-dimensional(3D)stress tensors at 89 measuring points determined using an improved overcoring technique in nine mines in China were adopted,a newly defined characteristic parameter C_(ERP)was proposed as an indicator for evaluating the structural properties of rock masses,and a fuzzy relation matrix was established using the information distribution *** results indicate that both the vertical stress and horizontal stress exhibit a good linear growth relationship with *** is no remarkable correlation between the elastic modulus,Poisson's ratio and depth,and the distribution of data points is scattered and ***,there is no obvious relationship between the rock quality designation(RQD)and *** maximum horizontal stress σ_(H) is a function of rock properties,showing a certain linear relationship with the C_(ERP)at the same *** addition,the overall change trend of σ_(H) determined by the established fuzzy identification method is to increase with the increase of C_(ERP).The fuzzy identification method also demonstrates a relatively detailed local relationship betweenσ_H and C_(ERP),and the predicted curve rises in a fluctuating way,which is in accord well with the measured stress data.

关键词： overcoring stress measurements elastic modulus Poisson's ratio rock quality designation maximum horizontal stress fuzzy identification

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analysis and solution of streak effect in high dynamic range CMOS image sensors

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Science China(Information Sciences) 2025年第1期68卷 402-403页

作者： Wanbin ZHA Jiangtao XU Jinghua AO Kaiming NIE Zhiyuan GAO School of Microelectronics Tianjin University Tianjin Key laboratory of Imaging and Sensing Microelectronic technology Tianjin University

The high dynamic range (HDR) CMOS image sensor has been widely used in many fields,such as autonomous driving and security guarding [1].The dual conversion gain (DCG)structure,which adjusts the conversion gain (CG) by changing the capacitors connected to the floating diffusion (FD)nodes in the pixel,is an effective and prevalent method for realizing HDR imaging [2].While the DCG structure can extend the dynamic range,in the practical HDR imaging process,the substantial number of photo-generated electrons in bright areas can cause significant voltage variations in the pixel *** variations affect the gray values in darker areas of the same image,leading to the streak effect [3].This study primarily investigates the streak effect caused by forward conduction current of the PN junction in DCG pixels,and proposes a circuit to suppress this effect.

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Simulation and analysis of the long-term impacts of 1.5°C global climate pledges on China's land systems

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Science China Earth Sciences 2025年

作者： Jiaying LV Changqing SONG Yifan GAO Sijing YE Peichao GAO State Key laboratory of Earth Surface Processes and Resource Ecology Beijing Normal University Center for Geodata and analysis Beijing Normal University

Global warming has become a shared issue for humanity. At the 26th Conference of the Parties to the United Nations Framework Convention on Climate Change in 2021, participating countries reached climate pledges aimed at making more proactive contributions to limit the global average temperature rise within 1.5°C by 2100. Land system changes are significant responses of land to climate change. As one of the contracting parties, China has proposed climate targets such as carbon peaking and carbon neutrality goals in recent years to support the global pledges of limiting global warming to1.5°C, which will profoundly impact China's future land system changes. This study focuses on China as the study area,produces data with a thematic resolution of 27 types of land systems, integrates the output of various land types by the Global Change Assessment Model(GCAM) into four categories of land service demand, and combines these with the improved CLUMondo model to simulate China's land system changes in 2100 under a 1.5°C global warming scenario and a reference scenario without updated emission reduction measures. The conclusions of this study are as follows:(1) The method of integrating the GCAM and improved CLUMondo model demonstrates high validation accuracy in simulating China's land system changes, effectively predicting the changes.(2) Under the 1.5°C global warming scenario, the quality of ecosystems related to mountains, water, forests, farmland, lakes, and grasslands in China improved. The areas of shrubland, wetland, and forest are projected to increase by 185%, 79%, and 33%, respectively, with low-density shrubland, high-density wetland, and high-density forest showing the most significant increases.(3) Compared with the reference scenario, the 1.5°C climate pledges drive greater changes in future land systems, with wetland and forest area growth levels exceeding those of the reference scenario by 20% and 10%, respectively. Notably, the changes in cropland, grasslan

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