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GPS: graph contrastive learning via multi-scale augmented views from adversarial pooling

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Science China(Information Sciences) 2025年第1期68卷 145-158页

作者： wei JU Yiyang GU Zhengyang MAO Ziyue QIAO Yifang qin xiao luo Hui XIONG Ming zhang School of Computer Science National Key Laboratory for Multimedia Information ProcessingPeking University Artificial Intelligence Thrust The Hong Kong University of Science and Technology Department of Computer Science University of California

Self-supervised graph representation learning has recently shown considerable promise in a range of fields, including bioinformatics and social networks. A large number of graph contrastive learning approaches have shown promising performance for representation learning on graphs, which train models by maximizing agreement between original graphs and their augmented views(i.e., positive views). Unfortunately, these methods usually involve pre-defined augmentation strategies based on the knowledge of human experts. Moreover, these strategies may fail to generate challenging positive views to provide sufficient supervision signals. In this paper, we present a novel approach named graph pooling contrast(GPS) to address these *** by the fact that graph pooling can adaptively coarsen the graph with the removal of redundancy, we rethink graph pooling and leverage it to automatically generate multi-scale positive views with varying emphasis on providing challenging positives and preserving semantics, i.e., strongly-augmented view and weakly-augmented view. Then, we incorporate both views into a joint contrastive learning framework with similarity learning and consistency learning, where our pooling module is adversarially trained with respect to the encoder for adversarial robustness. Experiments on twelve datasets on both graph classification and transfer learning tasks verify the superiority of the proposed method over its counterparts.

关键词： graph representation learning graph neural networks graph contrastive learning graph augmentations graph pooling

Efficient photocatalytic reduction of CO2 to formate by a molecular noble metal-free system

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Science China Chemistry 2025年第1期68卷 152-156页

作者： lihua zhang lingjing Chen Huatian Shi Yue wei gui Chen Tai-chu Lau School of Environment and Civil Engineering Research Center for Eco-environmental Engineering Dongguan University of Technology Department of Chemistry and Institute of Molecular Functional Materials City University of Hong Kong

Reducing CO2to carbon-neutral solar fuels can not only alleviate the energy demand but also mitigate the greenhouse *** present,developing an efficient non-noble metal photo/electrocatalytic system for converting CO2to a specific product beyond CO is still a big ***,we report a new cobalt complex bearing 2,2′-bi-1,10-phenanthroline ligand that can photocatalytically reduce CO2to formate （HCOO-）.Turnover number （TON） for HCOO-up to 677 with 99%selectivity can be achieved using organic dyes purpurin as photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole （BIH） as sacrificial reductant in a CO2-saturated NMP/TEA （v/v,3:1） solution under visible light *** potential electrolysis at-1.41 V （***/Ag Cl） in the presence of 12 m M Et3NHBF4also produced HCOO-with Faradaic efficiency of 39%.Spectroscopic and electrochemical studies suggest that a[CoI-H]species is the key intermediate for CO2reduction.

关键词： photocatalysis noble metal-free CO2 reduction formate cobalt hydride

Metal nanoparticles decorated CoFe-(oxy)hydroxysulfides nanosheets fabricated by a general strategy for electrocatalytic water splitting

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Journal of Energy Chemistry 2025年第1期100卷 26-38页

作者： xiaodong yang Haochen Shen xiaoming xiao Zhichao li Qi Zhou wei yang Bin Jiang Yongli Sun Luhong zhang Zhenhua Yan School of Chemical Engineering and Technology Tianjin University Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) Nankai University

This study presents a novel method to fabricate metal-decorated,sulfur-doped layered double hydroxides （M/SLDH） through spontaneous redox and sulfurization *** developed Ag/SLDH and Pt/SLDH catalysts with abundant heterogeneous interfaces and hierarchical nanostructures demonstrated outstanding oxygen evolution reaction （OER） and hydrogen evolution reaction （HER） performance,achieving low overpotentials of 212 and 35 mV at 10 mA cm-2in 1 M KOH,*** both anode and cathode in water splitting,they required only 1.47 V to reach 10 mA cm-2and exhibited high structural robustness,maintaining stability at 1000 mA cm-2for 300 ***-situ Raman analysis revealed that the synergistic effects of metal nanoparticles and S doping significantly promote the transformation into the S-Co1-xFexOOH layer,which serves as the active phase for water ***,ultraviolet photoelectron spectroscopy （UPS） and density functional theory （DFT） analyses indicated that incorporating metal nanoparticles and S doping increase electron density near the Fermi level and reduce reaction energy barriers,thus enhancing intrinsic OER and HER *** study provides a scalable strategy for synthesizing high-performance electrocatalysts for water splitting,with promising potential for broader applications.

关键词： Ultraviolet photoelectron spectroscopy

Photoinduced radical sulfur dioxide insertion with asymmetric cyclization of alkenes: accessing β-chiral sulfones bearing S-stereocentric cyclic sulfinamides

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Science China Chemistry 2025年第1期68卷 257-263页

作者： Jiapian huang Chenxin Wang Xu Wang xiaoyu Zhou wei xiao Jie Wu School of Pharmaceutical and Chemical Engineering & Institute for Advanced Studies Taizhou University State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic Chemistry Chinese Academy of Sciences School of Chemistry and Chemical Engineering Henan Normal University

The generation of various β-chiral sulfones bearing chiral cyclic sulfinamides through photoredox-catalyzed sulfur dioxide insertion with asymmetric radical cyclization is described. This method features a broad substrate scope and excellent stereospecificity. Computational studies reveal that the dispersion interaction between sulfinyl group and CH2SO2Ph group plays a crucial role in the stereoselectivity control.

关键词： β-chiral sulfones chiral cyclic sulfinamides sulfur dioxide insertion asymmetric radical cyclization stereoselectivity

Observation of acoustic hybrid topological phases induced by the p-d orbital interactions

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 132-139页

作者： xiao Xiang Feng Gao Yu-gui Peng Peng Wu Zong-lin li Xue-Feng Zhu School of Physics and Innovation Institute Huazhong University of Science and Technology

In spinless systems,growing attention has recently been attracted to synthetic gauge fields,which redefine the fundamental crystal symmetries by utilizing the projective algebraic ***,synthetic gauge fields have been commonly investigated in single orbital systems,and explorations on hybrid orbitals remain elusive in ***,we report the experimental observation of hybrid topological phases induced by hybrid synthetic gauge flux,which is formed by the interaction between p and d orbitals embedded in acoustic *** breaking the translation symmetries of Lxand/or Ly,we unambiguously demonstrate the first-order M?bius edge states and higher-order corner *** work establishes a platform for seeking exotic topological phases induced by hybrid-orbitals interactions and initializing the framework of hybrid-orbitalsrelated topological *** applications can be anticipated in scenarios such as high-quality sensing and robust wave trapping due to the stepwise energy distribution of the hybrid topological phase.

关键词： topological insulator synthetic gauge field projective symmetry corner states

Endoplasmic reticulum stress and autophagy in cerebral ischemia/reperfusion injury:PERK as a potential target for intervention

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Neural Regeneration Research 2025年第5期20卷 1455-1466页

作者： Ju Zheng Yixin li Ting zhang Yanlin Fu Peiyan Long xiao Gao Zhengwei Wang Zhizhong Guan xiaolan Qi wei Hong Yan xiao Key Laboratory of Endemic and Ethnic Diseases Ministry of Education&Key Laboratory of Medical Molecular Biology of Guizhou ProvinceGuizhou Medical UniversityGuiyangGuizhou ProvinceChina guizhou Center for Disease Control and Prevention GuiyangGuizhou ProvinceChina Department of Histology and Embryology Guizhou Medical UniversityGuiyangGuizhou ProvinceChina Collaborative Innovation Center for Prevention and Control of Endemic and Ethnic Regional Diseases Co-constructed by the Province and Ministry GuiyangGuizhou ProvinceChina

Several studies have shown that activation of unfolded protein response and endoplasmic reticulum(ER)stress plays a crucial role in severe cerebral ischemia/reperfusion *** occurs within hours after cerebral ischemia,but the relationship between ER stress and autophagy remains *** this study,we established experimental models using oxygen-glucose deprivation/reoxygenation in PC12 cells and primary neurons to simulate cerebral ischemia/reperfusion *** found that prolongation of oxygen-glucose deprivation activated the ER stress pathway protein kinase-like endoplasmic reticulum kinase(PERK)/eukaryotic translation initiation factor 2 subunit alpha(e IF2α)-activating transcription factor 4(ATF4)-C/EBP homologous protein(CHOP),increased neuronal apoptosis,and induced ***,inhibition of ER stress using inhibitors or by si RNA knockdown of the PERK gene significantly attenuated excessive autophagy and neuronal apoptosis,indicating an interaction between autophagy and ER stress and suggesting PERK as an essential target for regulating *** autophagy with chloroquine exacerbated ER stress-induced apoptosis,indicating that normal levels of autophagy play a protective role in neuronal injury following cerebral ischemia/reperfusion *** from this study indicate that cerebral ischemia/reperfusion injury can trigger neuronal ER stress and promote autophagy,and suggest that PERK is a possible target for inhibiting excessive autophagy in cerebral ischemia/reperfusion injury.

关键词： apoptosis ATF4 autophagy C/EBP homologous protein cerebral ischemia/reperfusion injury eIF2α endoplasmic reticulum stress PERK

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Tuning the porosity of {Co12IICo8III（μ3-OH）24（X）}11+ supramolecular frameworks by reaction time for D2/H2 separation

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Science China Chemistry 2025年

作者： Zhuozhou Xie Zhu Zhuo Zi-Ang Nan qing li Xiufang li Zi-Xiu Lu linzhe Lü jin liu Luyao liu Wenjing Wang wei Wang Daqiang Yuan You-gui huang State Key Laboratory of Structure Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences University of Chinese Academy of Sciences Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials Xiamen Institute of Rare Earth Materials Haixi InstitutesChinese Academy of Sciences State Key Laboratory of Physical Chemistry of Solid Surfaces Department of Chemistry College of Chemistry and Chemical EngineeringXiamen University

Systematicly tuning the porosities of porous materials is crucial for targeted gas mixture separation,yet it remains a longstanding *** a common strategy,altering the phenylene ring count in the organic building units has been exploited to adjust pore apertures in metal organic frameworks （MOFs） and covalent organic frameworks （COFs）,resulting in only a stepwise pore size variation of approximately 2.8?.Unlike MOFs and COFs,the porosities for supramolecular assembly frameworks are highly dependent on the packings of the molecular building units in the *** above strategy cannot be applied to supramolecular assembly frameworks and other strategies are required to adjust pore apertures in supramolecular frameworks,especially to achieve porous materials with the optimal pore size for D2/H2separation （～3?）.Here,we successfully modulate the porosity of supramolecular frameworks of[CoII1+12CoIII8L12（μ3-OH）24（X）]1clusters （L=mono-deprotonated 1-iminoisoindole-3-amine,X=ClO?4or Cl?） by controlling the duration of self-assembly *** simply adjusting the reaction time,we obtain three[CoII12CoIII8L12（μ3-OH）24（X）]11+supramolecular frameworks:[CoII12CoIII8（μ3-OH）24（ClO4）L12)]·（Cl）4·（HCO2）7（1）,[CoII12CoIII8L12（μ3-OH）24（Cl）]·（ClOI4）4·（Cl）6·（HCO2）·（H2O）10（2）,and[CoI12CoIII8L12（μ3-OH）24（Cl）]·（Cl）11·（H2O）12（3）.The different stacking patterns of the[CoII12CoIII8L12（μ3-OH）24（X）]11+clusters in these frameworks lead to significantly varied stabilities and *** 1 exhibits permanent porosity with interconnected channels and maintains stability under harsh *** contrast,compound 2 is nearly nonporous,and compound 3 becomes unstable upon *** pores of compound 1 show higher affinity to D2than H2,and the pore aperture diameter of compound 1 （～3.06?） meets the optimal porosity for D2/***,compound 1 demonstrates moderate D2/H2separation at 77 K (retention time:～7 min/g for D2/H2/Ne （10/10/80 vol%） in a flow of 5 mL

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Effects of Ti-and Nb-based transition element from single to multiple compound oxides and carbon-based composite additives on Mg-MgH2 hydrogen storage material

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Tungsten 2025年第1期7卷 32-49页

作者： li-Rong xiao Chen Chen Shuo Wang Zi-Yin Dai Hideo Kimura Cui Ni chuan-Xin Hou Xue-qin Sun Si-Jie Guo wei Du Xiu-Bo Xie School of Environmental and Material Engineering Yantai University Bosch HUAYU Steering Systems (Yantai) Co. Ltd.Ytp/MFE University of Tennessee Knoxville Shandong Key Laboratory of Eco-Environmental Science for the Yellow River Delta Shandong University of Aeronautics

MgH2is considered as a promising hydrogen storage material for its high hydrogen storage capacity,low cost and abundant resource ***,the low kinetics and high enthalpy formation of MgH2limit its wide *** the perspective of adding catalysts to enhance the hydrogen storage properties of Mg-MgH2,this article elaborated the main catalysts based on Ti and Nb transition elements,including single oxide catalysts,binary oxides catalysts（combined with Ni,Na,Sr,V,etc.）,multiple catalysts bound to carbon,and composite catalysts with Ti and Nb elements combined with MXene ***,the main pathways of various catalysts to reduce the reaction activity and broaden the hydrogen desorption channel were also *** Ti-based catalysts can enhance the reactive sites of the matrix by forming multivalent states,while Nb-based catalysts broaden the hydrogen reaction channels by forming tiny *** improving the size structure and enhancing the grain size stability,combined with carbon materials should be the future considerations.

关键词： Catalysts Mg-based hydrogen storage alloys Solid hydrogen storage Transition metal elements

Combination of fruquintinib with venetoclax for the treatment of colorectal cancer

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Oncology Research 2025年第1期33卷 225-234页

作者： wei zhang weiCHENG WANG RUI WANG xiao HAN liJUN ZHU WENJIE GUO YANHONG GU Department of Oncology The First Affiliated Hospital of Nanjing Medical UniversityNanjing210029China State Key Laboratory of Pharmaceutical Biotechnology School of Life SciencesNanjing UniversityNanjing210023China Department of Oncology The Affiliated Taizhou People’s Hospital of Nanjing Medical UniversityTaizhou225300China

Background:As a novel blocker of vascular endothelial growth factor receptor(VEGFR),fruquintinib has been approved for treating colorectal cancer(CRC).However,its dosage and therapeutic efficacy are limited by its widespread adverse ***,recognized as the initial inhibitor of B-cell lymphoma protein 2(BCL2),has shown potential in boosting the effectiveness of immunotherapy against *** study investigated the efficacy and mechanisms of fruquintinib combined with venetoclax in treating *** and Materials:We developed a colon cancer mouse model with the CT26 colon cell line to demonstrate fruquintinib and venetoclax’s efficacy against *** we employed various techniques to evaluate different aspects of the experimental *** was used to detect cell proliferation and angiogenesis in tumor *** blot analysis was utilized to examine the occurrence of cell apoptosis,and flow cytometry to quantitate immune cells within the tumor ***,immunofluorescence was employed to measure cytokine ***:The strongest inhibition on tumor growth was achieved by the combination of fruquintinib with venetoclax,as opposed to individual drug *** was found to amplify the impact of fruquintinib,leading to decreased cancer cell proliferation,increased cancer cell apoptosis,lowered angiogenesis,better vascular structure normalization,and improved immune cell ***:Our findings indicate that the addition of venetoclax enhances the impact of fruquintinib on vascular normalization and modulation of the tumor immune *** study presents the justification for utilizing the fruquintinib and venetoclax combination in treating *** holds promise in being assimilated into anticancer medications for CRC.

关键词： Colorectal cancer(CRC) B-cell lymphoma protein 2(BCL2) Venetoclax Vascular endothelial growth factor receptor(VEGFR) Fruquintinib Anti-angiogenesis Immunotherapy