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

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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A surface engineering strategy for the stabilization of zinc metal anodes with montmorillonite layers toward long-life rechargeable aqueous zinc ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 94-105页

作者： Wenbo Wang Ruifeng Xu Xu Zhang Peiyu Wang Bao Yang Bingjun Yang Juan Yang Kailimai Su Pengjun Ma Yanan Deng Xianfeng Fan Wanjun Chen Key Laboratory for Electronic Materials College of Electrical Engineering Northwest Minzu University resource Chemistry and Energy Materials Research center State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences Institute for Materials and Processes School of Engineering University of Edinburgh

Rechargeable aqueous zinc-ion batteries （AZIBs） exhibit appreciable potential in the domain of electrochemical energy ***,there are serious challenges for AZIBs,for instance zinc dendrite growth,hydrogen evolution reaction （HER）,and corrosion side ***,we propose a surface engineering modification strategy for coating the montmorillonite （MMT） layer onto the surface of the Zn anode to tackle these issues,thereby achieving high cycling stability for rechargeable *** results reveal that the MMT layer on the surface of the Zn anode is able to provide ordered zincophilic channels for zinc ions migration,facilitating the reaction kinetics of zinc *** functional theory（DFT） calculations and water contact angle （CA） tests prove that MMT@Zn anode exhibits superior adsorption capacity for Zn2+and better hydrophobicity than the bare Zn anode,thereby achieving excellent cycling ***,the MMT@Zn||MMT@Zn symmetric cell holds the stable cycling over 5600 h at 0.5 mA cm-2and 0.125 m A h cm-2,even exceeding 1800 h long cycling under harsh conditions of 5 m A cm-2and 1.25 m A h *** MMT@Zn||V2O5full cell reaches over 3000 cycles at 2 A g-1with excellent rate ***,this surface engineering modification strategy for enhancing the electrochemical performance of AZIBs represents a promising application.

关键词： Hydrogen evolution reaction

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Deciphering Water Oxidation Catalysts:The Dominant Role of Surface Chemistry over Reconstruction Degree in Activity Promotion

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Nano-Micro Letters 2025年第3期17卷 340-354页

作者： Li An Jianyi Li Yuanmiao Sun Jiamin Zhu Justin Zhu Yeow Seow Hong Zhang Nan Zhang Pinxian Xi * Zhichuan JXu Chun‑Hua Yan State Key Laboratory of Applied Organic Chemistry Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu ProvinceFrontiers Science Center for Rare IsotopesCollege of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000People’s Republic of China School of Materials Science and Engineering Nanyang Technological UniversitySingapore 639798Singapore Faculty of Materials Science and Energy Engineering Institute of Technology for Carbon NeutralityShenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055People’s Republic of China Key Laboratory of Electromagnetic Materials and Devices National Center for International Research On Photoelectric and Energy MaterialsSchool of Materials and EnergyElectron Microscopy CenterYunnan UniversityKunming 650091People’s Republic of China State Key Laboratory of Baiyunobo Rare Earth resource Researches and Comprehensive Utilization Baotou Research Institute of Rare EarthsBaotou 014030People’s Republic of China Beijing national Laboratory for Molecular Sciences State Key Laboratory of Rare Earth Materials Chemistry and ApplicationsPKU‑HKU Joint Laboratory in Rare Earth Materials and Bioinorganic ChemistryPeking UniversityBeijing 100871People’s Republic of China

Water splitting hinges crucially on the availability of electrocatalysts for the oxygen evolution *** surface reconstruction has been widely observed in perovskite catalysts,and the reconstruction degree has been often correlated with the activity ***,a systematic study on the roles of Fe substitution in activation of perovskite LaNiO_(3)is *** substituting Fe content influences both current change tendency and surface reconstruction ***_(0.9)Fe_(0.1)O_(3)is found exhibiting a volcano-peak intrinsic activity in both pristine and reconstructed among all substituted perovskites in the LaNi_(1-x)Fe_(x)O_(3)(x=0.00,0.10,0.25,0.50,0.75,1.00)*** reconstructed LaNi_(0.9)Fe_(0.1)O_(3)shows a higher intrinsic activity than most reported NiFe-based ***,density functional theory calculations reveal that Fe substitution can lower the O 2p level,which thus stabilize lattice oxygen in LaNi0.9Fe0.1O3 and ensure its long-term ***,it is vital interesting that activity of the reconstructed catalysts relied more on the surface chemistry rather than the reconstruction *** effect of Fe on the degree of surface reconstruction of the perovskite is decoupled from that on its activity enhancement after surface *** finding showcases the importance to customize the surface chemistry of reconstructed catalysts for water oxidation.

关键词： Oxygen evolution reaction Perovskite oxides Doping Activation and reconstruction

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InNi alloy-induced interface effect promoting the parallel electron transfer: improved photothermal catalytic CO2 hydrogenation

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Science China Chemistry 2025年

作者： Haoyu Zhang Yuhang Li Yu Nie Xinyu Dou Haodong Ji Xin Tan Jinhua Ye Tao Yu School of Chemical Engineering and Technology Tianjin University Eco-environment and resource Efficiency Research Laboratory School of Environment and Energy Peking University Shenzhen Graduate School School of Environmental Science and Engineering Tianjin University Advanced Catalytic Materials Research center School of Materials Science and Engineering Tianjin University Research center for Solar Driven Carbon Neutrality Hebei University

Photothermal catalytic CO2hydrogenation is an effective means of utilizing carbon ***,it is severely limited in terms of kinetics and ***,it is necessary to meticulously design catalysts to solve this ***,a sandwich structured NiO@InNi/In2O3is designed to intrinsically regulate the direction of photogenerated carriers transfer,resulting in a CO yield of 42.97 mmol g-1h-1(1290.3μmol h-1) with a selectivity near to 100%.InNi alloy favors the collection of photogenerated carriers by the parallel way and enhancement of the adsorption and activation of *** grown on the surface of InNi alloy not only improves the adsorption of H2and provides sufficient H+for the reaction,but also makes InNi alloy more stable during the reaction *** photothermal effect caused by In2O3accelerates the transfer of photogenerated carriers and increases the surface temperature of the catalyst,thereby synergistically promoting the reaction from a kinetic *** work ameliorates the kinetic and thermodynamic limitations of the photothermal catalytic CO2hydrogenation process through rationally designing the electron transfer direction of the sandwich structured catalysts to parallel way.

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Dietary carbohydrate intake and risk of type 2 diabetes:a 16-year prospective cohort study

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Science China Life Sciences 2025年

作者： Lu Gan Yi Yang Bin Zhao Kai Yu Kehua Guo Fang Fang Zhiguang Zhou Demetrius Albanes Jiaqi Huang Key Laboratory of Diabetes Immunology Ministry of Education and Department of Metabolism and Endocrinology The Second Xiangya Hospital of Central South University CSU-Sinocare Research Center for Nutrition and Metabolic Health Xiangya School of Public Health Central South UniversityFurong Laboratory Division of Cancer Epidemiology and genetics National Cancer Institute NIH Department of Health and Human Services School of Computer Science and Engineering Central South University Institute of Environmental Medicine Karolinska Institute national Clinical Research center for Metabolic Diseases Key Laboratory of Diabetes Immunology Ministry of Education and Department of Metabolism and Endocrinology The Second Xiangya Hospital of Central South University

Despite considerable research underscoring the importance of carbohydrate intake in relation to the risk of type 2 diabetes(T2D), a comprehensive assessment of this relationship is currently lacking. We aimed to examine the associations of various types and food sources of dietary carbohydrate intake with the risk of T2D, to evaluate potential effect modification by other factors, including genetic susceptibility,and to explore the potential mediators for such associations. The present study included 161,872 participants of the UK Biobank who were free of prevalent cancer, cardiovascular disease, or diabetes, and had at least one validated 24-h dietary recall assessment. Multivariableadjusted age-stratified Cox proportional hazard regression models were applied to estimate hazard ratios(HRs) and 95% confidence intervals(CI) for the associations of various types and food sources of dietary carbohydrate intake with risk of T2D. During a median follow-up of13.6 years, 4,176 incident cases of T2D were identified. In the multivariable-adjusted models, a greater intake of fiber, carbohydrates from whole grains, and carbohydrates from non-starchy vegetables was significantly associated with a lower risk of T2D(highest vs. lowest quantile, HR [95% CI]=0.70 [0.62–0.79], 0.74 [0.67–0.82], and 0.83 [0.75–0.92], respectively, all P for trend genetic susceptibility to T2D. Mediation analyses of the inverse association between T

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Proline Accumulation,Photosynthetic Abilities and Growth Characters of Sugarcane(Saccharum officinarum L.) Plantlets in Response to Iso-Osmotic Salt and Water-Deficit Stress

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Agricultural Sciences in China 2009年第1期8卷 51-58页

作者： Suriyan Cha-um Chalermpol Kirdmanee national center for genetic Engineering and Biotechnology(BIOTEC) National Science and Technology Development Agency(NSTDA)

The aim of this study was to investigate the biochemical, physiological and morphological responses of sugarcane to iso- osmotic salt and water-deficit stress. Disease-free sugarcane plantlets derived from meristem cuttings were photo- autotrophically grown in MS media and subsequently exposed to -0.23 （control）, -0.67 or -1.20 MPa iso-osmotic NaCl （salt stress） or mannitol （water-deficit stress）. Chlorophyll a （Chl a）, chlorophyll b （Chl b）, total carotenoids （Cx＋c）, maximum quantum yield of PSII （Fv/Fm）, photon yield of PSII （ΦPSII）, stomatal conductance （Gs） and transpiration rate （E） in the stressed plantlets were significantly reduced when compared to those of plantlets of the control group （without mannitol or NaCl）, leading to net-photosynthetic rate （Pn） and growth reduction with positive correlation. In addition, physiological changes and growth parameters of plantlets in the salt stress conditions were more sharply reduced than those in waterdeficit stress conditions. On the other hand, the proline content and non-photochemical quenching （NPQ） in the leaves of stressed plantlets increased significantly, especially in response to iso-osmotic salt stress. The chlorophyll pigments in iso-osmotic stressed leaves were significantly degraded （r^2 = 0.93）, related to low water oxidation （r^2 = 0.87）, low net- photosynthetic rate （r^2 = 0.81）, and growth reduction （r^2 = 0.97）. The multivariate biochemical, physiological and growth parameters in the present study should be further used to develop salt, or drought, tolerance indices in sugarcane breeding programs.

关键词： growth performances net-photosynthetic rate pigment degradation proline water oxidation

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Smart Gas Sensors:Recent Developments and Future Prospective

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Nano-Micro Letters 2025年第3期17卷 55-86页

作者： Boyang Zong Shufang Wu Yuehong Yang Qiuju Li Tian Tao Shun Mao College of Environmental Science and Engineering Biomedical Multidisciplinary Innovation Research InstituteShanghai East HospitalState Key Laboratory of Pollution Control and Resource ReuseTongji University1239 Siping RoadShanghai 200092People’s Republic of China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092People’s Republic of China Microbiome Medicine center Department of Laboratory MedicineZhujiang HospitalSouthern Medical UniversityGuangzhou 510280People’s Republic of China

Gas sensor is an indispensable part of modern society withwide applications in environmental monitoring,healthcare,food industry,public safety,*** the development of sensor technology,wireless communication,smart monitoring terminal,cloud storage/computing technology,and artificial intelligence,smart gas sensors represent the future of gassensing due to their merits of real-time multifunctional monitoring,earlywarning function,and intelligent and automated *** electronicand optoelectronic gas sensors have been developed for high-performancesmart gas *** the development of smart terminals and the maturityof integrated technology,flexible and wearable gas sensors play an increasingrole in gas *** review highlights recent advances of smart gassensors in diverse *** structural components and fundamentalprinciples of electronic and optoelectronic gas sensors are described,andflexible and wearable gas sensor devices are ***,sensorarray with artificial intelligence algorithms and smart gas sensors in“Internet of Things”paradigm are ***,the challengesand perspectives of smart gas sensors are discussed regarding the future need of gas sensors for smart city and healthy living.

关键词： Smart gas sensor Electronic sensor Optoelectronic sensor Flexible and wearable sensor Artificial intelligence

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Structural Insights into N^6-methyladenosine (m^6A) Modification in the Transcriptome

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Genomics, Proteomics & Bioinformatics 2018年第2期16卷 85-98页

作者： Jinbo Huang Ping Yin national Key Laboratory of Crop genetic Improvement and national center of Plant Gene Research Huazhong Agricultural University

More than 100 types of chemical modifications in RNA have been well documented. Recently, several modifications, such as N6-methyladenosine （m^6A）, have been detected in mRNA, opening the window into the realm of epitranscriptomies. The m^6A modification is the most abundant modification in mRNA and non-coding RNA （ncRNA）. At the molecular level, m^6A affects almost all aspects of mRNA metabolism, including splicing, translation, and stability, as well as microRNA （miRNA） maturation, playing essential roles in a range of cellular processes. The m^6A modification is regulated by three classes of proteins generally referred to as the ＂writer＂（adenosine methyltransferase）, ＂eraser＂（m^6A demethylating enzyme）, and ＂reader＂（m^6A-binding protein）. The m^6A modification is reversibly installed and removed by writers and erasers, respectively. Readers, which are members of the YT521-B homology （YTH） family proteins, selectively bind to RNA and affect its fate in an m^6A-dependent manner. In this review, we summarize the structures of the functional proteins that modulate the m^6A modification, and provide our insights into the m^6A-mediated gene regulation.

关键词： Epitranscriptomics M^6A modification Writer Reader Eraser

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Chromosomal localization of silkworm (Bombyx mori) sericin gene 1 and chymotrypsin inhibitor 13 using fluorescence in situ hybridization

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Science China(Life Sciences) 2008年第2期51卷 133-139页

作者： Yutaka BANNO Hiroshi FUJII Institute of genetic resource Faculty of AgricultureKyushu University

The chromosomal locations of two single-copy genes, Ser-1 and CI-13, in silkworm (Bombyx mori) were detected at the molecular cytogenetics level by fluorescence in situ hybridization in the study. The results showed that Ser-1 is located near the distal end of the 11th linkage group, relatively at the 12.5±1.4 position in pachytene; and that CI-13 has been mapped near the distal end of the 2nd linkage group, relatively at the 8.2±1.2 position in pachytene. Furthermore, their location model map-FISH map on silkworm chromosome was drawn. The FISH technique and its application to silkworm are also discussed in this paper.

关键词： Bombyx mori sericin gene 1(Ser-1) chymotrypsin inhibitor 13 gene (CI-13) fluorescence in situ hybridization chromosome mapping

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Brain developmental and cortical connectivity changes in transgenic monkeys carrying the human-specific duplicated gene SRGAP2C

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national Science Review 2023年第11期10卷 45-60页

作者： Xiaoyu Meng Qiang Lin Xuerui Zeng Jin Jiang Min Li Xin Luo Kaimin Chen Haixu Wu Yan Hu Cirong Liu Bing Su State Key Laboratory of genetic resources and Evolution Kunming Institute of ZoologyChinese Academy of Sciences national resource center for Non-human Primates Kunming Primate Research Centerand National Research Facility for Phenotypic and Genetic Analysis of Model Animals (Primate Facility)Kunming Institute of ZoologyChinese Academy of Sciences Kunming College of Life Science University of Chinese Academy of Sciences center for Excellence in Brain Science and Intelligence Technology Institute of NeuroscienceCAS Key Laboratory of Primate NeurobiologyChinese Academy of Sciences center for Excellence in Animal Evolution and genetics Chinese Academy of Sciences

human-specific duplicated genes contributed to phenotypic innovations during the origin of our own species, such as an enlarged brain and highly developed cognitive abilities. While prior studies on transgenic mice carrying the human-specific SRGAP2C gene have shown enhanced brain connectivity, the relevance to humans remains unclear due to the significant evolutionary gap between humans and rodents. In this study,to investigate the phenotypic outcome and underlying genetic mechanism of SRGAP2C, we generated transgenic cynomolgus macaques(Macaca fascicularis) carrying the human-specific SRGAP2C *** MRI imaging revealed delayed brain development with region-specific volume changes,accompanied by altered myelination levels in the temporal and occipital regions. On a cellular level, the transgenic monkeys exhibited increased deep-layer neurons during fetal neurogenesis and delayed synaptic maturation in adolescence. Moreover, transcriptome analysis detected neotenic expression in molecular pathways related to neuron ensheathment, synaptic connections, extracellular matrix and energy metabolism. Cognitively, the transgenic monkeys demonstrated improved motor planning and execution skills. Together, our findings provide new insights into the mechanisms by which the newly evolved gene shapes the unique development and circuitry of the human brain.

关键词： transgenic monkey brain evolution brain development neurogenesis neoteny

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