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Regulating surface electron structure of PtNi nanoalloy via boron doping for high‐current‐density li‐O2 batteries with low overpotential and long‐life cyclability

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SmartMat 2024年第1期5卷 110-120页

作者： yajun Ding Yuanchao Huang Yuejiao li Tao Zhang Zhong‐Shuai Wu State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianChina State Key Laboratory of Silicon Materials and School of Materials Science and Engineering Zhejiang UniversityHangzhouChina Institute of Advanced Semiconductors Hangzhou Innovation CenterZhejiang UniversityHangzhouChina University of Chinese Academy of Sciences BeijingChina State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghaiChina Dalian National Laboratory for Clean Energy Chinese Academy of SciencesDalianChina

The realization of high‐efficiency,reversible,stable,and safe li‐O2 batteries is severely hindered by the large overpotential and side reactions,especially at high rate conditions.Therefore,rational design of cathode catalysts with high activity and stability is crucial to overcome the terrible issues at high current density.Herein,we report a surface engineering strategy to adjust the surface electron structure of boron(B)‐doped PtNi nanoalloy on carbon nanotubes(PtNiB@CNTs)as an efficient bifunctional cathodic catalyst for high‐rate and long‐life li‐O2 batteries.Notably,the li‐O2 batteries assembled with as‐prepared PtNiB@CNT catalyst exhibit ultrahigh discharge capacity of 20510 mA·h/g and extremely low overpotential of 0.48 V at a high current density of 1000 mA/g,both of which outperform the most reported Pt‐based catalysts recently.Meanwhile,our li‐O2 batteries offer excellent rate capability and ultra‐long cycling life of up to 210 cycles at 1000 mA/g under a fixed capacity of 1000 mA·h/g,which is two times longer than those of Pt@CNTs and PtNi@CNTs.Furthermore,it is revealed that surface engineering of PtNi nanoalloy via B doping can efficiently tailor the electron structure of nanoalloy and optimize the adsorption of oxygen species,consequently delivering excellent li‐O2 battery performance.Therefore,this strategy of regulating the nanoalloy by doping nonmetallic elements will pave an avenue for the design of high‐performance catalysts for metal‐oxygen batteries.

关键词： B doping bifunctional catalyst li‐O2 battery low charge overpotential PtNi nanoalloy

Paradigm for Determining the Optimal Ultradeep and Superthick Saline Aquifer for High-TDS Mine Water Geological Storage

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Acta Geologica Sinica(English Edition) 2024年第3期98卷 771-785页

作者： li Xin CHEN Ge XU Zhimin liU Qi CHEN Tianci SUN yajun School of Resources and Geosciences China University of Mining and TechnologyXuzhouJiangsu 221116China National Professional Central Laboratory of Basic Research on Mine Water Disaster Prevention and Control Technology XuzhouJiangsu 221116China

Saline aquifers are the most popular waste and CO_(2)injection and storage reservoirs worldwide.This project proposes that several optimal injection positions should be investigated as hydraulic pressure-focused positions,in order to relieve the high demands of pump performance.The comprehensive indices(F_(i))representing the injectivity of different burial depths were obtained by using information entropy,based on the mercury injection experimental data of 13 rock samples.The results demonstrated that the burial depths of No.4,No.1 and No.2 in the liujiagou Formation were the most suitable positions for hydraulic focused injection,which means the upper 30 m thickness could be regarded as the hydraulic focused range in the saline aquifer with an average thickness of 400 m.In addition,some laboratory experiments and in situ tests were carried out for the purpose of certifying and analyzing results,including SEM,XRD,brittleness index and logging.The results suggested that the rock samples at the No.4,No.1 and No.2 burial depth ranges have loose microstructure,weak cementation,as well as dual pores and fractures.The lithology is mainly quartz and feldspar,but the clay mineral content is high(10%-25%),which is positive for dissolution.The lithology is suitable for hydraulic fracturing to form extended cracks and micro-fissures during high-TDS(total dissolved solids)mine water injection,because of the high brittleness index.Finally,a theoretical and technical framework for high-TDS mine water injection was established,based on operating pilot engineering.Some theoretical defects and drawbacks learned from the field practices were summarized and solutions proposed.The research in this study could provide guidance and a paradigm for the inexpensive treatment of high-TDS mine water by injection and storage.

关键词： ultradeep liujiagou Formation high-TDS mine water optimal hydraulic injection positions information entropy reservoir spatial characteristics

Cu-catalyzed regioselective diborylation of 1,3-enynes for the efficient synthesis of 1,4-diborylated allenes

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Chinese Chemical Letters 2024年第5期35卷 141-144页

作者： Wujun Jian Mong-Feng Chiou yajun li Hongli Bao Song Yang National Key Laboratory of Green Pesticide Key Laboratory of Green Pesticide and Agricultural BioengineeringMinistry of EducationCenter for R&D of Fine Chemicals of Guizhou UniversityGuiyang 550025China Strait Institute of Flexible Electronics(SIFE Future Technologies)Fujian Normal UniversityFuzhou 350117China Key Laboratory of Coal to Ethylene Glycol and Its Related Technology State Key Laboratory of Structural ChemistryFujian Institute of Research on the Structure of MatterUniversity of Chinese Academy of SciencesFuzhou 350002China

Borylation of 1,3-enynes with bis(boronate)compounds often ends up with the formation of hydroborylated products,leaving the diborylation of 1,3-enynes for the formation of 1,4-diborylated allenes to be challenging.Herein,a copper-catalyzed chemo-,regio-,and stereo-selective diborylation of 1,3-enynes for the efficient construction of 1,4-diborylated allenes under base-free conditions was reported.A wide range of 1,3-enynes bearing various functional groups can participant in the reaction and afforded the corresponding 1,4-diborylated allenes in good to excellent yields,which was enabled by the protocol of Bpin to BF3K conversion.the borylcopper species was supposed to selectively attack the C-C triple bond of the 1,3-enynes.

关键词： Copper catalysis Regioselective 1,3-Enynes Borylation Allenes

A Deep Learning Approach to Shape Optimization Problems for Flexoelectric Materials Using the Isogeometric Finite Element Method

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Computer Modeling in Engineering & Sciences 2024年第5期139卷 1935-1960页

作者： Yu Cheng yajun Huang Shuai li Zhongbin Zhou Xiaohui Yuan Yanming Xu College of Architecture and Civil Engineering Xinyang Normal UniversityXinyang464000China Henan Unsaturated Soil and Special Soil Engineering Technology Research Center Xinyang Normal UniversityXinyang464000China College of Intelligent Construction Wuchang University of TechnologyWuhan430223China College of Civil Engineering and Architecture Dalian UniversityDalian116622China Henan International Joint Laboratory of Structural Mechanics and Computational Simulation School of Architecture and Civil EngineeringHuanghuai UniversityZhumadian463000China

A new approach for flexoelectricmaterial shape optimization is proposed in this study.In this work,a proxymodel based on artificial neural network(ANN)is used to solve the parameter optimization and shape optimization problems.To improve the fitting ability of the neural network,we use the idea of pre-training to determine the structure of the neural network and combine different optimizers for training.The isogeometric analysis-finite element method(IGA-FEM)is used to discretize the flexural theoretical formulas and obtain samples,which helps ANN to build a proxy model from the model shape to the target value.The effectiveness of the proposed method is verified through two numerical examples of parameter optimization and one numerical example of shape optimization.

关键词： Shape optimization deep learning flexoelectric structure finite element method isogeometric

Ferroptosis mechanism and Alzheimer's disease

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Neural Regeneration Research 2024年第8期19卷 1741-1750页

作者： lina Feng Jingyi Sun ling Xia Qiang Shi yajun Hou lili Zhang Mingquan li Cundong Fan Baoliang Sun Shandong Key Laboratory of TCM Multi-Target Intervention and Disease Control the Second Affiliated Hospital of Shandong First Medical UniversityTaianShandong ProvinceChina Department of Internal Medicine Taian Traffic HospitalTaianShandong ProvinceChina Department of Neurology the Third Affiliated Clinical Hospital of Changchun University of Chinese MedicineChangchunJilin ProvinceChina

Regulated cell death is a genetically determined form of programmed cell death that commonly occurs during the development of living organisms.This process plays a crucial role in modulating homeostasis and is evolutionarily conserved across a diverse range of living organisms.Ferroptosis is a classic regulatory mode of cell death.Extensive studies of regulatory cell death in Alzheimer’s disease have yielded increasing evidence that fe rroptosis is closely related to the occurrence,development,and prognosis of Alzheimer’s disease.This review summarizes the molecular mechanisms of ferroptosis and recent research advances in the role of ferro ptosis in Alzheimer’s disease.Our findings are expected to serve as a theoretical and experimental foundation for clinical research and targeted therapy for Alzheimer’s disease.

关键词： Alzheimer’s disease apolipoprotein E Fe^(2+) ferroptosis glial cell glutathione peroxidase 4 imbalance in iron homeostasis lipid peroxidation regulated cell death system Xc^(-)

Effect of VEGF/GREDVY Modified Surface on Vascular Cells Behavior

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Journal of Wuhan University of Technology(Materials Science) 2024年第1期39卷 244-254页

作者：魏来 TAN Jianying li li WANG Huanran liU Sainan ZENG Zheng liU Tao WANG Jian 陈俊英 WENG yajun School of Materials Science and Engineering Southwest Jiaotong UniversityChengdu 610031 China

We synthesized B-He/B-GREDVY and immobilized them on avidin-coated surfaces.To examine the immobilization of molecules in the material, the following experiments were performed:fluorescein isothiocyanate(FITC) fluorescence staining, water contact angle and atomic force microscopy(AFM) measurements. Besides, the biological evaluation experiments were also performed, such as platelets adhesion and activation, the culturing of smooth muscle cells(SMC) and endothelial cells(EC). These experimental results show that the modified surfaces could prevent the hyperproliferation of SMC, and promote the proliferation and migration of EC and EPC. Furthermore, the adding of VEGF improved the EC adhesion in a dynamic environment. Generally, it is expected that the modified surfaces could be used to accelerate the formation of the newly endothelial layer for the construction of platforms for coronary artery stent therapy.

关键词： biotin-GREDVY VEGF anticoagulation endothelial cells endothelial progenitor cells

Molecular Dynamics Simulation of Shock Response of CL-20 Co-crystals Containing Void Defects

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Defence Technology（防务技术） 2024年第1期31卷 364-374页

作者： Changlin li Wei Yang Qiang Gan yajun Wang lin liang Wenbo Zhang Shuangfei Zhu Changgen Feng State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China School of Materials Science&Engineering Beijing Institute of TechnologyBeijing 100081China

To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals.

关键词： CL-20 co-crystals Molecular dynamics simulation Reactive forcefield Impact response Hot spot Void defect

Duplicated chalcone synthase(CHS)genes modulate flavonoid production in tea plants in response to light stress

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Journal of Integrative Agriculture 2024年第6期23卷 1940-1955页

作者： Mingzhuo li Wenzhao Wang Yeru Wang lili Guo yajun liu Xiaolan Jiang liping Gao Tao Xia State Key Laboratory of Tea Plant Biochemistry and Utilization Anhui Agricultural UniversityHefei 230036China School of life Sciences Anhui Agricultural UniversityHefei 230036China College of Horticulture Northwest A&F UniversityYangling 712100China Department of Plant and Microbial Biology North Carolina State UniversityRaleigh 27606NCUSA

In tea plants,the abundant flavonoid compounds are responsible for the health benefits for the human body and define the astringent flavor profile.While the downstream mechanisms of flavonoid biosynthesis have been extensively studied,the role of chalcone synthase(CHS)in this secondary metabolic process in tea plants remains less clear.In this study,we compared the evolutionary profile of the flavonoid metabolism pathway and discovered that gene duplication of CHS occurred in tea plants.We identified three CsCHS genes,along with a CsCHS-like gene,as potential candidates for further functional investigation.Unlike the CsCHS-like gene,the CsCHS genes effectively restored flavonoid production in Arabidopsis chs-mutants.Additionally,CsCHS transgenic tobacco plants exhibited higher flavonoid compound accumulation compared to their wild-type counterparts.Most notably,our examination of promoter and gene expression levels for the selected CHS genes revealed distinct responses to UV-B stress in tea plants.Our findings suggest that environmental factors such as UV-B exposure could have been the key drivers behind the gene duplication events in CHS.

关键词： tea flavonoids biosynthesis CHS gene duplication UV-B stress

Impact of Different Rates of Nitrogen Supplementation on Soil PhysicochemicalProperties and Microbial Diversity in Goji Berry

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Phyton-International Journal of Experimental Botany 2024年第3期93卷 467-486页

作者： Xiaojie liang Wei An Yuekun li yajun Wang Xiaoya Qin Yanhong Cui Shuchai Su State Key Laboratory of Efficient Production of Forest Resources The College of ForestryBeijing Forestry UniversityBeijing100083China National Wolfberry Engineering Research Center Wolfberry Science Research InstituteNingxia Academy of Agriculture and Forestry SciencesYinchuan750002China

Goji berry(Lycium barbarum L.)is substantially dependent on nitrogen fertilizer application,which can signiﬁ-cantly enhance fruit yield and Goji berry industrial development in Ningxia,China.This study aimed to analyze the functions of differential nitrogen application rates including low(N1),medium(N2),and high(N3)levels in soil microbial community structure(bacterial and fungal)at 2 diverse soil depths(0-20,20-40 cm)through high-throughput sequencing technology by targeting 16S RNA gene and ITS1&ITS2 regions.All the observed physicochemical parameters exhibited signiﬁcant improvement(p0.05)differences among three group treatments(N1,N2,and N3).Furthermore,the functional enrichment analysis demonstrated signiﬁcant(plism,and transcriptional machinery for bacterial communities,while various saprotrophic functional roles for fungal communities.Conclusively,moderately reducing the use of N-supplemented fertilizers is conducive to increasing soil nitrogen utilization rate,which can contribute to sustainable agriculture practices through improved soil quality,and microbial community structure and functions.

关键词： Goji berry production Ningxia,China differential nitrogen supplementation rates 16S RNA gene and IT1&IT2 region sequencing soil physicochemical properties