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Improved oxygen electrocatalysis at Fe N4 and Co N4 sites via construction of axial coordination

Chinese Chemical Letters 2025年第2期36卷 482-487页

作者： Ze Zhang Lei Yang Jin-Ru liu Hao Hu Jian-li Mi Chao Su bei-bei Xiao Zhi-Min Ao School of Energy and Power Engineering Jiangsu University of Science and Technology Institute for Computation in Molecular and Materials Science School of Chemistry and Chemical Engineering Nanjing University of Science and Technology Institute for Advanced Materials School of Materials Science and Engineering Jiangsu University Advanced Interdisciplinary Institute of Environment and Ecology Beijing Normal University

The quest for efficient and durable catalysts using abundant resources has garnered significant interest in the field of bifunctional oxygen *** this contribution,we have designed a FeN4or CoN4embedded graphene-based bilayer as active layer and TMC3or TMN3doped graphene as supporting layer,named as FeN4/TMC3or FeN4/TMN3and CoN4/TMC3or CoN4/TMN3,wherein TM strands for transition *** on density functional theory calculations,our results demonstrate that the interaction formed between dual metal atoms in the bilayer interspace leads to the coordination environment altered from flat four-coordination to spatial five-coordination,further stabilizing the bilayer structure and impairing its affinity toward the O-containing *** to thermodynamic analysis,the bilayers of CoN4/CoN3,FeN4/FeC3,FeN4/CoC3,FeN4/NiC3,FeN4/ZnC3,FeN4/FeN3,FeN4/CrN3and FeN4/ZnN3are attractively promising for bifunctional oxygen electrocatalysis due to the small overpotential differenceΔη between oxygen reduction and oxygen evolution that are less than 1 *** functional theory calculations combined with machine learning analysis directly identify the key role played by the interbinding formed between bilayers,that boosts catalytic activity,which establishes a predictable framework for a fast screen for graphene-based bilayer vertical *** work opens up a new path for designing the efficient electrocatalysts via modification of coordination environment.

关键词： Density functional theory Machine learning Oxygen electrocatalysis Thermodynamic analysis

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Spatial differentiation of carbon emissions from energy consumption based on machine learning algorithm:A case study during 2015–2020 in Shaanxi,China

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Journal of Environmental Sciences 2025年第3期149卷 358-373页

作者： Hongye Cao ling Han Ming liu liangzhi li China Jikan Research Institute of Engineering Investigations and Design Co.Ltd.Xi’an 710043China College of Geological Engineering and Geomatics Chang’an UniversityXi’an 710061China School of Land Engineering Chang’an UniversityXi’an 710064China Xi’an Key Laboratory of Territorial Spatial Information School of Land EngineeringChang’an UniversityXi’an 710064China Department of Geography and Environmental Management University of WaterlooWaterlooOntario N2L 3G1Canada

Carbon emissions resulting from energy consumption have become a pressing issue for governments *** estimation of carbon emissions using satellite remote sensing data has become a crucial research *** studies relied on statistical regression models that failed to capture the complex nonlinear relationships between carbon emissions and characteristic *** this study,we propose a machine learning algorithm for carbon emissions,a Bayesian optimized XGboost regression model,using multi-year energy carbon emission data and nighttime lights(NTL)remote sensing data from Shaanxi Province,*** results demonstrate that the XGboost algorithm outperforms linear regression and four other machine learning models,with an R^(2)of 0.906 and RMSE of *** observe an annual increase in carbon emissions,with high-emission counties primarily concentrated in northern and central Shaanxi Province,displaying a shift from discrete,sporadic points to contiguous,extended spatial *** autocorrelation clustering reveals predominantly high-high and low-low clustering patterns,with economically developed counties showing high-emission clustering and economically relatively backward counties displaying low-emission *** findings show that the use of NTL data and the XGboost algorithm can estimate and predict carbon emissionsmore accurately and provide a complementary reference for satellite remote sensing image data to serve carbon emission monitoring and *** research provides an important theoretical basis for formulating practical carbon emission reduction policies and contributes to the development of techniques for accurate carbon emission estimation using remote sensing data.

关键词： Machine learning Energy carbon emissions Nighttime light Spatial distribution

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Fluorine-functionalized zirconium-organic cages for efficient photocatalytic oxidation of thioanisole

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Chinese Chemical Letters 2025年第1期36卷 632-636页

作者： Jia-Ru li Ning li li-ling He Jun He School of Chemical Engineering and light Industry Guangdong University of TechnologyGuangzhou 510006China School of Chemistry South China Normal UniversityGuangzhou 510006China

Zirconium-based metal-organic cages(Zr-MOCs)typically exhibit high stability,but their structural and application reports are scarce due to stringent crystallization *** have successfully fluorinated the classical Zr-MOCs(ZrT-3)for the first time,obtaining the fluorinated MOCs(ZrT-3-F).Notably,ZrT-3-F not only inherits the high stability of its parent structure,but also acts as a catalyst for the effective oxidation of benzyl thioether for the first *** reaction can reach a conversion rate of 99%in 6 h,and the selectivity reaches 95%,which far exceeds the non-fluorinated *** work proves that the specific functionalization of the classical Zr-MOCs can further expand their application potential,such as catalysis.

关键词： Ultraviolet light Fluorine Zirconium-based metal-organic cages Sulfide oxidation Multiphase photocatalysis

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Bifurcations and Spatiotemporal Patterns in the Diffusive Nutrient-Microor ganism Model

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Acta Mathematicae Applicatae Sinica 2025年第1期41卷 162-178页

作者： Ya-di WANG Hai-long YUAN Yan-ling li School of Arts and Sciences Shaanxi University of Science and TechnologyXi'an 710021China School of Mathematics and Statistics Xi'an Jiaotong UniversityXi'an 710049China School of Mathematics and Information Science Shaanxi Normal UniversityXi'an 710062China

In this paper,the diffusive nutrient-microorganism model subject to Neumann boundary conditions is *** Hopf bifurcations and steady state bifurcations which bifurcate from the positive constant equilibrium of the system are investigated in *** addition,the formulae to determine the direction of Hopf and steady state bifurcations are *** results show the existence of spatially homogeneous/nonhomogeneous periodic orbits and steady state solutions,which indicates the spatiotemporal dynamics of the *** numerical simulations are also presented to support the analytical results.

关键词： nutrient-microorganism model Hopf bifurcation steady state bifurcation simulations

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The Enhancing Effect of the East Asian Subtropical Westerly Jet on Summer Extreme High-Temperature Events over Central-Eastern China Since the Late 1990s

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ADVANCES IN ATMOSPHERIC SCIENCES 2025年第3期42卷 453-466页

作者： Gao, Chujie Niu, Yuyu li, Gen Sun, Shanlei Lu, Bo li, Chaofan Xu, bei Huang, Jinglong Sun, Xiubao Hohai Univ Coll Oceanog Minist Nat Resources Nanjing 210098 Peoples R China Hohai Univ Key Lab Marine Hazards Forecasting Minist Nat Resources Nanjing 210098 Peoples R China Nanjing Univ Informat Sci & Technol Key Lab Meteorol Disaster Minist Educ KLME Nanjing 210044 Peoples R China Nanjing Univ Informat Sci & Technol Collaborat Innovat Ctr Forecast & Evaluat Meteorol Nanjing 210044 Peoples R China Chinese Acad Sci South China Sea Inst Oceanol State Key Lab Trop Oceanog Guangzhou 510301 Peoples R China China Meteorol Adm Natl Climate Ctr Lab Climate Studies Beijing 100081 Peoples R China China Meteorol Adm Natl Climate Ctr CMA NJU Joint Lab Climate Predict Studies Beijing 100081 Peoples R China Xiongan Inst Meteorol Artificial Intellegence Xiongan 071708 Peoples R China Chinese Acad Sci Ctr Monsoon Syst Res Inst Atmospher Phys Beijing 100029 Peoples R China Univ Chinese Acad Sci Coll Earth & Planetary Sci Beijing 100049 Peoples R China Jinling Inst Technol Coll Intelligent Sci & Control Engn Nanjing 211169 Peoples R China

The increase in frequency and intensity of Extreme High-temperature Events (EHEs) over Central-Eastern China (CEC) in recent decades has severely impacted social development and livelihoods. Using observation and reanalysis datasets, this study explores the effect of the East Asian subtropical westerly jet stream (EAJ) on the CEC EHEs for the summers spanning 1979-2020. Considering its general relative location to the right side of the upper-level jet stream exit region, CEC would theoretically suffer more EHEs with a stronger and northwardly-shifted EAJ in summer due to the likelihood of abnormal subsidence induced by the EAJ. However, such an EAJ-EHE connection has been unstable over the past four decades but has displayed an evident interdecadal change. Before the late 1990s, the interannual variation of the EAJ was manifested mainly by its meridional displacement in the northeastern part of East Asia;thus, the atmospheric responses were essentially located to the east of CEC, exerting less of an influence on the CEC EHEs. However, since the late 1990s, the EAJ variation has featured an intensity change in its center over the northwest portion of the CEC, which has resulted in a westward shift in atmospheric responses to cover the CEC region. Therefore, the EAJ could potentially affect the summer CEC EHEs during 2000-21. Our findings offer support for an in-depth understanding of the formation mechanisms of extreme weather/climate events of this nature and thus provide a scientific reference for seasonal climate predictions.

关键词： summer extreme high-temperature events East Asian subtropical jet atmospheric circulation central-eastern China interdecadal change

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Prognostic roles nutritional index in patients with resectable and advanced biliary tract cancers

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World Journal of Gastroenterology 2025年第6期31卷 76-88页

作者： Di Zeng Ning-Yuan Wen Yao-Qun Wang Nan-Sheng Cheng bei li Division of Biliary Surgery Department of General SurgeryWest China HospitalSichuan UniversityChengdu 610041Sichuan ProvinceChina Research Center for Biliary Diseases West China HospitalSichuan UniversityChengdu 610041Sichuan ProvinceChina

BACKGROUND Biliary tract cancer(BTC)is a rare,aggressive malignancy with increasing inci-dence and poor *** preoperative prognostic factors is crucial for effective risk-benefit assessments and patient *** prognostic nutritional index(PNI),which reflects immune-inflammatory and nutritional status,has shown prognostic value in various cancers,but its significance in BTC remains *** To assess the prognostic value of the preoperative PNI in BTC patients,with a focus on overall survival(OS)and disease-free survival(DFS).METHODS Comprehensive searches were conducted in the PubMed,EMBASE,and Web of Science databases from inception to April *** primary outcomes of interest focused on the associations between the preoperative PNI and the prognosis of BTC patients,specifically OS and disease-free survival(DFS).Statistical analyses were conducted via STATA 17.0 *** Seventeen studies encompassing 4645 patients met the inclusion ***-analysis revealed that a low PNI was significantly associated with poorer OS[hazard ratio(HR)1.91,95%CI:1.59-2.29;Plication bias was *** This study demonstrated that a low preoperative PNI predicts poor OS and DFS in BTC patients,highlighting its potential as a valuable prognostic *** prospective studies are needed to validate these findings and enhance BTC patient management.

关键词： Biliary tract cancer Prognostic nutritional index Predictive marker Meta-analysis Survival outcomes

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Phase-matching enhanced quantum phase and amplitude estimation of a two-level system in a squeezed reservoir

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Chinese Physics B 2025年第1期34卷 257-263页

作者： Yan-ling li Cai-Hong liao Xing Xiao School of Information Engineering Jiangxi University of Science and TechnologyGanzhou 341000China College of Physics and Electronic Information Gannan Normal UniversityGanzhou 341000China

Squeezed reservoir engineering is a powerful technique in quantum information that combines the features of squeezing and reservoir engineering to create and stabilize non-classical quantum states. In this paper, we focus on the previously neglected aspect of the impact of the squeezing phase on the precision of quantum phase and amplitude estimation based on a simple model of a two-level system(TLS) interacting with a squeezed reservoir. We derive the optimal squeezed phase-matching conditions for phase φ and amplitude θ parameters, which are crucial for enhancing the precision of quantum parameter estimation. The robustness of the squeezing-enhanced quantum Fisher information against departures from these conditions is examined, demonstrating that minor deviations from phase-matching can still result in remarkable precision of estimation. Additionally, we provide a geometric interpretation of the squeezed phase-matching conditions from the classical motion of a TLS on the Bloch sphere. Our research contributes to a deeper understanding of the operational requirements for employing squeezed reservoir engineering to advance quantum parameter estimation.

关键词： quantum parameter estimation squeezed reservoir phase-matching conditions quantum Fisher information

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Enhanced rate capability and cycle stability of Ti2C MXene for sodium storage through an aniline molecules welding strategy

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Tungsten 2025年第1期7卷 161-171页

作者： Hao Chen Ya-Qin Wang Dong-Ting Zhang bei Zhao Min-Peng li Chen-Yang li Tian-Peng Xu Mao-Cheng liu State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals Lanzhou University of Technology School of Materials Science and Engineering Lanzhou University of Technology School of Computer and Communication Technology Lanzhou University of Technology

MXenes obtained significant attention in the field of energy storage devices due to their characteristic layered structure,modifiable surface functional groups,large electrochemically active surface,and regulable interlayer ***,the self-restacking and sluggish ions diffusion kinetics performance of MXenes during the alkali metal ions insertion/extraction process severely impedes their cycle stability and rate *** paper proposes an aniline molecule welding strategy for welding p-phenylenediamine（PPDA） into the interlayers of Ti2C through a dehydration condensation *** welded PPDA molecules can contribute pillar effect to the layered structure of *** pillar effect effectively maintains the structural stability during the sodium ions insertion/extraction process and effectively expands the interlayer spacing of Ti2C from 1.16 to 1.38 nm,thereby enhancing ions diffusion kinetics performance and improving the long-term cycle *** Ti2C-PPDA demonstrates outstanding Na+storage capability,exhibiting a specific capacity of 100.2 mAh·g-1at a current density of 0.1 A·g-1over 960 cycles and delivering a remarkable rate capability 81.2 mAh·g-1at a current density of 5 A·*** study demonstrates that expanding interlayer spacing is a promising strategy to enhance the Na+storage capacity and improve long-term cycling stability,which provides significant guidance for the design of two-dimensional Na+storage materials with high-rate capability and cycle stability.

关键词： Diffusion kinetics Expanding interlayer spacing Rate capability Sodium ions storage Ti2C

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High-temperature oxidation behavior and degradation mechanism of chromium-coated zirconium alloy cladding: a review

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Tungsten 2025年第1期7卷 50-70页

作者： Yi li bei-Qi Wang Xin-Yin Zhang Shi-Jie Wang Cong-Yi li Hui-Long Yang Ran-Ran Su Tong liu School of Mechanical Engineering Shanghai Jiao Tong University College and Graduate School of Arts and Sciences University of Virginia Global Institute of Future Technology Shanghai Jiao Tong University

Accident-tolerant fuels(ATF) have been extensively studied to reduce the production rate and total amount of heat and hydrogen generated from high-temperature steam oxidation during severe ***-coated zirconium alloy cladding has become one of the most promising candidates for ATF because of its excellent corrosion and oxidation *** paper provides a comprehensive overview of the research progress on oxidation behaviors and degradation mechanisms in chromium-coated zirconium alloy cladding under high-temperature *** techniques to strengthen the oxidation resistance are highlighted and ***,challenges and opportunities for various future directions are addressed.

关键词： Accident-tolerant fuel Chromium coating Degradation mechanism High-temperature oxidation behavior Zirconium alloy cladding

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Recent Strategies and Advances in Hydrogel‑Based Delivery Platforms for Bone Regeneration

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Nano-Micro Letters 2025年第3期17卷 389-439页

作者： Xiao Wang Jia Zeng Donglin Gan Kun ling Mingfang He Jianshu li Yongping Lu Scientific and Technological Innovation Center for Biomedical Materials and Clinical Research Guangyuan Key Laboratory of Multifunctional Medical HydrogelGuangyuan Central HospitalGuangyuan 628000People’s Republic of China Jiangsu Collaborative Innovation Center of Biomedical Functional Materials Jiangsu Key Laboratory of Bio‑Functional MaterialsSchool of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023People’s Republic of China College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610065People’s Republic of China

Bioactive molecules have shown great promise for effectively regulating various bone formation processes,rendering them attractive therapeutics for bone ***,the widespread application of bioactive molecules is limited by their low accumulation and short half-lives in *** have emerged as ideal carriers to address these challenges,offering the potential to prolong retention times at lesion sites,extend half-lives in vivo and mitigate side effects,avoid burst release,and promote adsorption under physiological *** review systematically summarizes the recent advances in the development of bioactive molecule-loaded hydrogels for bone regeneration,encompassing applications in cranial defect repair,femoral defect repair,periodontal bone regeneration,and bone regeneration with underlying ***,this review discusses the current strategies aimed at improving the release profiles of bioactive molecules through stimuli-responsive delivery,carrier-assisted delivery,and sequential ***,this review elucidates the existing challenges and future directions of hydrogel encapsulated bioactive molecules in the field of bone regeneration.

关键词： Hydrogel Bone regeneration Bioactive molecules Drug delivery Nano-/microscale carriers

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