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Oxygen vacancies enriched Ir/WOx catalysts for the directly chem-catalytic conversion of cellulose to ethanol

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Tungsten 2025年第1期7卷 88-99页

作者： Yu-Jing Weng Zhao-Ying Ding Ying-Chao Li Yuan-feng Wu Yuan-Yang Xu Rui Chen Xiao-Lei Zhao Hai-yong Wang Da-Lei Zhang Yu-Long Zhang Henan Key Laboratory of Coal Green Conversion and International Joint Laboratory of Coal Clean Utilization College of Chemistry and Chemical Engineering Henan Polytechnic University Key Laboratory of Renewable Energy Guangzhou Institute of Energy Conversion Chinese Academy of Sciences Liaoning Institute of Energy Technology

Tungsten and its oxides are highly versatile catalysts with unique properties that hold great promise for a wide array of applications,including biological pathways and chemical *** chemo-catalysis of cellulose to ethanol presents a promising avenue for ethanol synthesis with the potential for enhanced efficiency compared to conventional methods,offering a sustainable and carbon-neutral alternative to existing petrochemical and biological ***,Ir/WOxcatalysts enriched with oxygen vacancies were meticulously prepared and demonstrated remarkable catalytic performance in converting cellulose to ethanol directly in the presence of tungstic *** catalyst achieved a high ethanol yield of 66.5%under optimal reaction conditions,approaching the theoretical yield limit of traditional ethanol *** results revealed the presence of oxygen defects,Bronsted/Lewis acidity,and Ir nanoclusters on the catalyst surface,working synergistically to facilitate the cascade catalysis of cellulose hydrolysis,sugar retro-aldol condensation reaction,and C2 intermediate hydrodeoxygenation to *** situ Fourier transform infrared spectrometer analysis confirmed the catalyst's ability to enhance the adsorption and activation of ethylene glycol for ethanol *** manipulating subtle structural features,this study offers a fresh perspective on tungsten group catalyst design and underscores the importance of synergistic effects among catalytic sites for the efficient production of ethanol from cellulose.

关键词： Cellulosic ethanol Chem-catalysis Hydrogenolysis Retro-aldol condensation Tungsten

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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CNKSR2 interactome analysis indicates its association with the centrosome/microtubule system

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Neural Regeneration Research 2025年第8期20卷 2420-2432页

作者： lin Yin Yalan Xu Jie Mu Yu Leng Lei Ma Yu Zheng Ruizhi Li Yin Wang Peifeng Li Hai zhu Dong Wang Jing Li Institute for Translational Medicine The Affiliated Hospital of Qingdao UniversityMedical CollegeQingdao UniversityQingdaoShandong ProvinceChina School of Basic Medicine Qingdao UniversityQingdaoShandong ProvinceChina College of Life Sciences and School of PharmacyMedical CollegeQingdao UniversityQingdaoShandong ProvinceChina Department of Urology Qingdao Municipal Hospital Affiliated to Qingdao UniversityQingdaoShandong ProvinceChina

The protein connector enhancer of kinase suppressor of Ras 2(CNKSR2),present in both the postsynaptic density and cytoplasm of neurons,is a scaffolding protein with several protein-binding *** of the CNKSR2 gene have been implicated in neurodevelopmental disorders,particularly intellectual disability,although the precise mechanism involved has not yet been fully *** has demonstrated that CNKSR2 plays a role in facilitating the localization of postsynaptic density protein complexes to the membrane,thereby influencing synaptic signaling and the morphogenesis of dendritic ***,the function of CNKSR2 in the cytoplasm remains to be *** this study,we used immunoprecipitation and high-resolution liquid chromatography-mass spectrometry to identify the interactors of *** a combination of bioinformatic analysis and cytological experiments,we found that the CNKSR2 interactors were significantly enriched in the proteome of the *** also showed that CNKSR2 interacted with the microtubule protein DYNC1H1 and with the centrosome marker *** colocalization analysis confirmed the centrosomal localization of *** we downregulated CNKSR2 expression in mouse neuroblastoma cells(Neuro 2A),we observed significant changes in the expression of numerous centrosomal *** manipulation also affected centrosome-related functions,including cell size and shape,cell proliferation,and ***,we found that CNKSR2 interactors were highly enriched in de novo variants associated with intellectual disability and autism spectrum *** findings establish a connection between CNKSR2 and the centrosome,and offer new insights into the underlying mechanisms of neurodevelopmental disorders.

关键词： autism spectrum disorder centrosome CNKSR2 intellectual disability interactome mass spectrometry microtubule neurodevelopmental disease protein complexes protein-protein interactions

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Late Paleozoic to early Mesozoic volcanic-sedimentary history of the southeastern margin of the Central Asian Orogenic Belt: Timing of uplift of the Inner Mongolia paleo-uplift

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Science China Earth Sciences 2025年第1期68卷 297-309页

作者： Wenxing HAO Jin-Hui YANG Guang zhu State Key Laboratory of Lithospheric Evolution Institute of Geology and Geophysics Chinese Academy of Sciences School of Resource and Environmental Engineering Hefei University of Technology

The Kulun region is located in the eastern Bainaimiao arc belt on the southeastern margin of the Central Asian Orogenic Belt(CAOB), adjacent to the North China Craton(NCC) to the south. This region records the closure of the PaleoAsian Ocean during the Paleozoic to early Mesozoic and is key to study the tectonic evolution of the northern margin of the *** conducted zircon U-Pb geochronology and Hf isotope analysis of volcanic-sedimentary and intrusive rocks in the Kulun region. The volcanic-sedimentary rocks were previously assigned an early Carboniferous age, but include volcanic rocks with ages of 267–266 Ma and sedimentary rocks with youngest detrital zircon age peaks of 265–244 Ma, which were intruded by a granite with an age of 242 Ma. This indicates that these rocks are actually middle Permian to Middle Triassic in age(267–242Ma) and correspond to the Qingfengshan and Liujiagou formations. Moreover, two volcanic rock samples have high εHf(t) values(+1.6 to +16.1) and relatively young two-stage Hf model ages(1095–327 Ma), indicating their sources associated with the CAOB. The age spectra and Hf isotopic characteristics of detrital zircons from the sedimentary rocks suggest that, during the middle Permian to Middle Triassic, the sedimentary provenance in the Kulun region was mainly the CAOB. However, by the Early Jurassic, the provenance changed to the NCC(i.e., the Inner Mongolia Paleo-uplift, IMPU). This result, combined with the development of a series of conglomerates on the northern margin of the NCC in the Late Triassic(i.e., Xingshikou, Xiaoyingzi,and Xiaohekou formations), indicates the Kulun region experienced an abrupt change in paleogeography during the Late Triassic, with the IMPU undergoing significant uplift and thus becoming the main sediment source in the Kulun region. Based on the Late Triassic alkaline igneous belt(235–215 Ma) in the IMPU, we speculate that this uplift was caused by detachment of the southward-subducting Paleo-Asian oceanic

关键词： Central Asian Orogenic Belt the North China Craton Zircon geochronology Hf isotopes Inner Mongolia Paleo-uplift

Double [5]carbohelicene: facile synthesis, chiroptical properties,isomerization study, and lasing application

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Science China Chemistry 2025年第1期68卷 233-240页

作者： Peipei Liu Yantong Li Meng-Xiang Wu Hao Kang Xiao-Li Zhao lin Xu linlin Liu Xiaodong Li Junfeng Fang Zhiwei Fang Ya cheng Hai-Bo Yang Huakang Yu Xueliang Shi State Key Laboratory of Petroleum Molecular & Process Engineering Shanghai Key Laboratory of Green Chemistry and Chemical ProcessesSchool of Chemistry and Molecular Engineering East China Normal University School of Physics and Optoelectronics South China University of Technology Institute of Polymer Optoelectronic Materials & Devices State Key Laboratory of Luminescent Materials & Devices South China University of Technology School of Physics and Electronic Science Engineering Research Center of Nanophotonics & Advanced Instrument Ministry of EducationEast China Normal University State Key Laboratory of Precision Spectroscopy School of Physics and Electronic Science East China Normal University

Double carbohelicenes have attracted considerable attention due to their aesthetic structures, distinct π-conjugation extension, inherent chirality, and intriguing optical and electronic properties. Herein, the concise de novo synthesis of a new double[5]carbohelicene 1 together with its chiroptical properties, isomerization process and lasing application is presented. 1 was synthesized by a simple protocol involving the formation of a 6,6′-bipentacene as the key intermediate. It is worth noting that1 existed as two diastereomers 1-PP/MM and 1-PM, which were successfully isolated and unambiguously confirmed by Xray crystallography. The optical resolution of the racemic 1-PP/MM was successfully achieved by chiral-phase highperformance liquid chromatography（HPLC）, and 1-PP and 1-MM were characterized by circular dichroism. Interestingly, it was found that 1-PP/MM could be completely isomerized to 1-PM upon heating, and the detailed thermodynamics and kinetics of the isomerization process were systematically investigated. 1-PM exhibited deep-red luminescence with emission maximum at 723 nm and fluorescence quantum yield as high as 32.95%. Consequently, we can showcase the lasing application of 1-PM by doping with epoxy resin to assemble a bottle microlaser spontaneously, which the lasing wavelength is 796.6 nm at a threshold of 0.8 m J cm-2. We believe that our studies, including the facile synthesis methodology, detailed isomerization studies, and lasing application, will shed some light on the design and synthesis of novel carbohelical systems with more functions.

关键词： double carbohelicene optical resolution organic laser isomerization X-ray diffraction

Dative B–N bonds weaven toward two-dimensional purely organic materials for single crystals

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Science China Chemistry 2025年第1期68卷 12-14页

作者： Wei-Lei Zhou Siwei Wang yong Chen College of Chemistry and Materials Science Inner Mongolia Key Laboratory of Chemistry for Nature Products and Synthesis for Functional Molecules Innovation Team of Optical Functional Molecular Devices Inner Mongolia Minzu University College of Chemistry Nankai University

Molecular topology is one of the important topics to study and understand the relationship between molecular structure and properties [1]. Particularly, two-dimensional (2D) materials with extremely high surface area and ultra-thin morphology have attracted considerable attention due to their unexpected properties in materials and chemistry [2,3].

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Cyano migration-mediated radical-polar crossover cyclopropanation

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Science China Chemistry 2025年第1期68卷 241-248页

作者： Ziqiang Wang Yasu Chen Jie Li Chen zhu Key Laboratory of Organic Synthesis of Jiangsu Province College of Chemistry Chemical Engineering and Materials ScienceSoochow University Frontiers Science Center for Transformative Molecules Zhangjiang Institute for Advanced Study and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs Shanghai Jiao Tong University

We report a novel cyano migration-mediated radical-polar crossover process, whereby both the sulfonylcyanation of aliphatic alkenes and the formation of cyclopropanes are concurrently achieved. This transformation yields a diverse array of multisubstituted cyclopropanes under mild photocatalytic conditions. Mechanistic studies elucidate that the reaction proceeds via intramolecular nucleophilic substitution, leading to the formation of the cyclopropane derivatives.

关键词： cyclopropanation cyano migration radical-polar crossover radical reactions

Achieving ultralow leakage current in Schottky-MIS cascode anode lateral field-effect diode based on AlGaN/GaN HEMT

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Science China(Information Sciences) 2025年第1期68卷 379-385页

作者： Fangzhou WANG Changhong GAO Guojian DING cheng YU zhuocheng WANG Xiaohui WANG Qi feng Ping YU Peng ZUO Wanjun CHEN Yang WANG Haiqiang JIA Hong CHEN Bo ZHANG Zeheng WANG Songshan Lake Materials Laboratory School of Microelectronics Southern University of Science and Technology State Key Laboratory of Electronic Thin Films and Integrated Devices University of Electronic Science and Technology of China Manufacturing Commonwealth Scientific and Industrial Research Organisation

In this paper,we design and fabricate a Schottky-metal-insulator-semiconductor（MIS） cascode anode GaN lateral field-effect diode（CA-LFED） to achieve ultralow reverse leakage current(ILEAK).The device based on AlGaN/GaN highelectron-mobility-transistor（HEMT） includes a normally-off MIS-controlled channel that is cascoded with a high barrier height Schottky *** reverse bias,the high electric-field is effectively prevented by the normally-off MIS-controlled channel *** with the high barrier height Schottky contact,this feature significantly suppresses the *** by the device fabrication,the CA-LFED with high breakdown voltage（BV）>600 V shows an ultralow ILEAKof 3.6×10-9A/mm as well as a low forward voltage drop（VF） of 2.2 *** performance suggests that the CA-LFED can be a promising candidate for ultralow ILEAKand better VF-ILEAKtrade-off GaN power diode applications.

关键词： Schottky-MIS cascode anode lateral field-effect diode (LFED) ultralow reverse leakage current ($I_{\rm{LEAK}}$) forward drop and reverse leakage trade-off AlGaN/GaN HEMTs

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Channel pruning on frequency response

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Science China(Information Sciences) 2025年第1期68卷 159-170页

作者： Hang lin Yifan PENG lin BIE chenggang YAN Xibin ZHAO Yue GAO School of Software Tsinghua University School of Automation Hangzhou Dianzi University

Network pruning has a significant role in reducing network parameters and accelerating the inference time of the network. Some existing methods prune the network based on the frequency of the data, and finally obtain a sub-network with high accuracy. However, according to our experimental analysis, different frequencies of information in the data contribute differently to the accuracy of the model, and using this information directly for pruning without making a selection will lead to incorrect results. We believe that pruning should retain the convolutional kernels in the network that process important information, while those kernels that process unimportant information should be removed. In this paper, we first investigate the meaning of each frequency band information in the spectrum and their contribution to the prediction accuracy of the network,and according to these results, we propose a new pruning method based on frequency response(PFR). Our PFR finds and removes the convolutional kernels in the network that specialize in processing unimportant information, resulting in a compact neural network model. PFR obtains significant experimental results on different datasets, for example, a 56.0% raduction of float points operations(FLOPs) on Res Net-50 and only 0.37% of Top-1 accuracy degradation on the Image Net dataset.

关键词： deep learning model compression filter pruning channel pruning frequency response

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