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2D Naphthalenedisulfonate-cadmiun coordination polymer with2,4,5-tri(4-pyridyl)-imidazole as a co-ligand:Structure and catalytic property

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Chinese Chemical Letters 2014年第2期25卷 243-246页

作者： Xing-Wei Wang Hui Guo Meng-Jie Liu Xin-Yi Wang dong-sheng deng Institute of Resources & Environment Henan Polytechnic University College of Chemistry and Chemical Engineering.Luoyang Normal University

A new 2D coordination polymer, [Cd（tpim）（1,5-nds）]n （1）, was constructed from 1,5-naphthalenedi- sulfonate （1,5-nds）. 2.4,5-tri（4-pyridyl）-imidazole （tpim） and Cd（CH3COO）2.2H2O, which can be subsequently used to promote the epoxide ring-opening reaction of epoxides and amines with remarkable catalytic activity. In addition, the thermal and luminescent properties of I in the solid state were also investigated.

关键词： Crystal structure Organosulfonate Coordination polymer Epoxide ring-opening

Ultra-large Scale Molecular Dynamics Simulation for Nano-engineering

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Chemical Research in Chinese Universities 2008年第3期24卷 367-370页

作者： ZHAO Jian-wei YIN Xing LIANG Shuai LIU Yun-hong WANG dong-xu deng sheng-yuan HOU Jie School of Chemistry and Chemical Engineering Nanjing University Nanjing 210093 P. R. China

In light of the special need of nano-engineering, an ultra-large scale and high-performance molecular dynamics（MD） simulation program was implemented. In many nano-engineering processes, the free boundary condition should be adopted. To meet this particular requirement, a pointer link and dynamic array data structures were employed so that both reliability and accuracy of simulation could be ensured. Using this method, one could realize the MD simulation of the nano-engineering system consisting of several million atoms per single CPU.

关键词： Molecular dynamics Nano-engineering Dynamic array Verlet table Cell list

Effect of electrolyte cation-mediated mechanism on electrocatalytic carbon dioxide reduction

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Chinese Chemical Letters 2024年第7期35卷 139-146页

作者： Yuan dong Mutian Ma Zhenyang Jiao sheng Han Likun Xiong Zhao deng Yang Peng Soochow Institute of Energy and Material Innovations College of EnergyJiangsu Key Laboratory of Advanced Carbon Materials and Wearable Energy TechnologiesSoochow UniversitySoochow 215006China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySoochow 215123China School of Chemistry and Chemical Engineering Shihezi UniversityShihezi 832003China School of Chemical and Environmental Engineering Shanghai Institute of TechnologyShanghai 201418China

The steep reduction in costs and systematic optimization of renewable electricity has ignited an intensifying interest in harnessing electroreduction of carbon dioxide(CO_(2)RR)for the generation of chemicals and *** focus of research over the past few decades has been on the optimization of the electrode and the electrolyte ***,cation species in the latter have recently been found to dramatically alter the selectivity of CO_(2)RR and even their catalytic activity by multiple orders of *** a result,the selection of cations is a critical factor in designing catalytic interfaces with high selectivity and efficiency for targeted *** decision-making regarding cation selection relies on a comprehensive understanding of prevailing electrolyte effect models that have been used to elucidate observed experimental *** this perspective,we review the hypotheses that explain how electrolyte cations influence CO_(2)RR by mechanisms such as through tuning of the interfacial electric field,buffering of the local pH,stabilization of the key intermediates and regulation of the interfacial *** endeavor is to elucidate the molecular mechanisms underpinning cation effects,thus fostering the evolution of more holistic and universally applicable predictive *** this regard,we highlight the current challenges in this area of research,while also identifying potential avenues for future investigations.

关键词： CO_(2)electrocatalytic reduction Cation effects Catalytic mechanisms Catalytic interfaces Electric double layer

Super P and MoO_(2)/MoS_(2)co-doped gradient nanofiber membrane as multi-functional separator for lithium–sulfur batteries

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Rare Metals 2024年第9期43卷 4263-4273页

作者： Xin Liang dong-Qing Zhao Qian-Qian Huang sheng Liang Li-Li Wang Lei Hu Ling-Li Liu Kun-Hong Hu Chong-Hai deng sheng Cheng Er-Tao Zhu Hua-Xia deng School of Energy Materials and Chemical Engineering LIB Technology Center of Anhui ProvinceHefei UniversityHefei 230601China Instrumental Analysis Centre Hefei University of TechnologyHefei 230009China Hefei Youngy Energy Materials Co. Ltd.Hefei 230000China Department of Modern Mechanics University of Science and Technology of ChinaHefei 230026China

Lithium-sulfur battery is one of the most promising battery systems for industrialization due to its high theoretical specific capacity and high energy ***,the"shuttle effect"has restrained the advancement of lithium-sulfur *** this work,a gradient-structured nanofiber membrane with pure gelatin on one side and Super P-MoO_(2)/MoS_(2)-gelatin on the other side was created using a multi-step electrostatic spinning technique,which was applied for multi-functional separator for lithium-sulfur *** pure gelatin layer facing the anode side primarily homogenizes the lithium flux,whereas the Super P-MoO_(2)/MoS_(2)-gelatin layer facing the cathode side primarily adsorbs polysulfides by physical and chemical adsorption and enhancing polysulfide conversion *** findings demonstrate that even after 150 cycles at 0.2C,the lithium-sulfur battery can still sustain a discharge-specific capacity of 572.3 mAh·g^(-1).When used with Li||Li symmetric batteries,it has a cycle life of more than 1200 *** commercialization of lithium-sulfur batteries is given a fresh idea by this straightforward preparation technique.

关键词： MoO_(2)/MoS_(2) Nanofiber Membrane Li-S battery

Atomic-Scale Insights into Damage Mechanisms of GGr15 Bearing Steel Under Cyclic Shear Fatigue

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Acta Metallurgica Sinica(English Letters) 2024年第7期37卷 1265-1278页

作者： Qiao-sheng Xia dong-Peng Hua Qing Zhou Ye-Ran Shi Xiang-Tao deng Kai-Ju Lu Hai-Feng Wang Xiu-Bing Liang Zhao-dong Wang State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal MaterialsNorthwestern Polytechnical UniversityXi’an710072China State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang110819China Defense Innovation Institute Academy of Military ScienceBeijing100071China

Alternating shear stress is a critical factor in the accumulation of damage during rolling contact fatigue,severely limiting the service life of ***,the specific mechanisms responsible for the cyclic shear fatigue damage in bearing steel have not been fully *** the mechanical response and microstructural evolution of a model GGr15 bearing steel under cyclic shear loading are investigated through the implementation of molecular dynamics *** samples undergo 30 cycles under three different loading conditions with strains of 6.2%,9.2%,and 12.2%,*** findings indicate that severe cyclic shear deformation results in early cyclic softening and significant accumulation of plastic damage in the bearing ***,samples subjected to higher strain-controlled loading exhibit higher plastic strain energy and shorter fatigue ***,strain localization is identified as the predominant damage mechanism in cyclic shear fatigue of the bearing steel,which accumulates and ultimately results in fatigue ***,simulation results also revealed the microstructural reasons for the strain localization(e.g.,BCC phase transformation into FCC and HCP phase),which well explained the formation of white etching *** study provides fresh atomic-scale insights into the mechanisms of cyclic shear fatigue damage in bearing steels.

关键词： Cyclic shear fatigue Molecular dynamic simulation Bearing steels Plastic damage accumulation

Landsat Image-Based Spatiotemporal Variation Analysis of Erosion and Deposition off the Qingshuigou of the Yellow River Delta from 1984 to 2021

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Journal of Ocean University of China 2024年第5期23卷 1173-1184页

作者： dong sheng LI Songda TAO Shanshan College of Engineering Ocean University of ChinaQingdao 266404China

Owing to climate change and human activity,the Qingshuigou of the Yellow River Delta(YRD)has undergone dynamic changes in erosion and ***,studying these changes is important to ensure ecological protection and sustainable *** this study,the trend of erosion-deposition evolution in the Qingshuigou was investigated based on 38 coastline phases extracted from Landsat series images of the YRD at one-year intervals from 1984 to *** periodicity of the scouring and deposition evolution was also analyzed using wavelet *** showed that the total area of the Qingshuigou was affected by deposition and erosion and that the fluctuation first increased and then *** total area reached a maximum in *** depositional area first increased and then decreased,whereas the overall erosion area *** and erosion areas showed periodic changes to some extent;however,the periodic signal intensity ***,factors including channel morphological evolution and variations in water and sediment discharge affect the spatiotemporal dynamics of erosion and deposition *** application of nonconsistency tests finally revealed that deposition area and flushing magnitude exhibited non-stationarities,which are potentially attributed to impacts from climatic change drivers.

关键词： Yellow River Delta coastline erosion and deposition remote sensing wavelet analysis

Catalytically generated noncovalent ammonium dienolate:a versatile platform for the development of organocatalytic asymmetric cascade reactions

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Science China Chemistry 2024年第8期67卷 2524-2546页

作者： Jun-Bing Lin dong-sheng Ji Peng-Fei Xu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000China Shaanxi Key Laboratory of Chemical Reaction Engineering College of Chemistry and Chemical EngineeringYan’an UniversityYan’an 716000China

Organocatalytic cascade reactions represent a powerful strategy for the rapid construction of complex chiral molecules with multiple stereocenters from simple substrates under mild conditions. The intriguing structural feature and diverse reactivity of catalytically generated dienolate species render them competent and versatile intermediates for the development of practical and valuable cascade reactions. Over the past years, a plethora of innovative and pioneering noncovalent ammonium dienolatemediated cascade reactions have been designed and implemented under the catalysis of chiral organocatalysts, making dienolate activation a general, robust, and complementary method for the functionalization of unsaturated carbonyl compounds and related substances. This review illustrates the recent advances in organocatalytic noncovalent ammonium dienolate-mediated cascade reactions(mainly from 2010 to 2023), including the cascade transformations of ammonium dienolates directly generated from unsaturated ketone/aldehyde, ester/lactone/azlactone, amide/lactam/pyrazolone/oxindole, and alkylidene nitrile compounds. The contents are arranged based on the reaction types of the ammonium dienolates, with an emphasis on cascade 2,5-, 3,5-, and 4,5-difunctionalizations of these intermediates. Furthermore, other cascade reactions involving the 1,3-, 2,3-, and even more complex 3,4,5-reactivities of ammonium dienolates were also discussed. The reaction pathway, reaction stereoinduction, and synthetic applications of the ammonium dienolate-mediated cascade reactions were highlighted throughout the article. As a stimulating and ever-growing research area, the organocatalytic noncovalent ammonium dienolate-mediated cascade reactions are expected to continue demonstrating their magic power for constructing chiral targets in the future and further expanding the boundaries of asymmetric catalysis.

关键词： organocatalysis asymmetric catalysis ammonium dienolate cascade reaction difunctionalization

Atomistic study of inverse size effect induced by interfacial plasticity in pearlitic multi-principal element alloy

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Rare Metals 2024年第7期43卷 3341-3355页

作者： Chen Yang Qiao-sheng Xia Cun-Hong Yin dong-Peng Hua College of Mechanical Engineering Guizhou UniversityGuiyang 550025China Key Laboratory of Advanced Manufacturing Technology Ministry of EducationGuizhou UniversityGuiyang 550025China State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal MaterialsNorthwestern Polytechnical UniversityXi'an 710072China

Owing to the fine nano-laminated structure,the pearlitic multi-principal element alloy(PMPEA) exhibits excellent mechanical and tribological ***,the incomplete understanding of the size effect of its lamella thickness and the unclear understanding of the plasticity-interface interaction mechanism limit further optimization of *** this study,the FeCoNi/Ni_3Ti interface-mediated plastic deformation behavior in PMPEA and the variation of mechanical and tribological properties with lamella thickness within the nanoscale range using molecular dynamics(MD) simulation were *** results indicate that the mechanical and tribological properties of the PMPEA with lamella thicknesses below 10 nm have a significant inverse size effect,i.e.,the smaller the lamella thickness,the weaker the *** is because the plastic carrier-interface interaction mechanism changes from a strengthening mechanism that hinders dislocations to a weakening mechanism that promotes dislocations with the decreases in the lamella thickness,and the weakening effect becomes more pronounced as the lamella thickness decreases and the number of interfaces *** particular,the deformation behavior of Ni_3Ti lamellae changes from crystal-like to amorphous-like with decreasing ***,in the sample with larger lamella thickness,the occurrence of hierarchical slips in the body-centered cubic(BCC) phase due to the multiprincipal elements effect can better alleviate the stress concentration caused by the dislocation accumulation at the interface,so that the phase interface exhibits outstanding load-bearing *** the dislocation pattern in BCC phase shows a firm high-density cell,which makes the substrate exhibit a stable tribological response.

关键词： Multi-principal element alloy Nano-laminated structure Molecular dynamics simulation Nanoindentation and nanoscratch

The appearance of cytoplasmic cytochrome C precedes apoptosis during Drosophila salivary gland degradation

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Insect Science 2024年第1期31卷 157-172页

作者： Shihui Long Wenxin Cao Yongyu Qiu Ruohan deng Jiali Liu Lidan Zhang Renke dong Fengxin Liu sheng Li Haigang Zhao Na Li Kang Li Guangdong Provincial Key Laboratory of Insect Developmental Biology and Applied Technology Institute of Insect Science and TechnologySchool of Life SciencesSouth China Normal UniversityGuangzhouChina Guangdong Laboratory for Lingnan Modern Agriculture South China Agricultural UniversityGuangzhouChina Guangmeiyuan R&D Center Guangdong Provincial Key Laboratory of Insect Developmental Biology and Applied TechnologySouth China Normal UniversityMeizhouGuangdong ProvinceChina School of Food Science and Engineering South China University of TechnologyGuangzhouChina ChemPartner PharmaTech Co. LtdJiangmenGuangdong ProvinceChina

Apoptosis is an important process for organism development that functions to eliminate cell damage,maintain homeostasis,and remove obsolete tissues during *** mammals,apoptosis is accompanied by the release of cytochrome C(Cyt-c)from mitochondria to the ***,whether this process is conserved in the fruit fly,Drosophila melanogaster,remains *** this study,we discovered that during the degradation of Drosophila salivary gland,the transcription of mitochondria apoptosis factors(MAPFs),Cyt-c,and death-associated APAF1-related killer(Dark)encoding genes are all upregulated antecedent to initiator and effector caspases encoding *** proteins Cyt-c and the active caspase 3 appear gradually in the cytoplasm during salivary gland ***,the Cyt-c protein colocates with mito-GFP,the marker indicating cytoplasmic mitochondria,and the change in mitochondrial membrane potential coincides with the appearance of Cyt-c in the ***,impeding or promoting 20E-induced transcription factor E93 suppresses or enhances the staining of Cyt-c and the active caspase 3 in the cytoplasm of salivary gland,and accordingly decreases or increases the mitochondrial membrane potential,*** research provides evidence that cytoplasmic Cyt-c appears before apoptosis during Drosophila salivary gland degradation,shedding light on partial conserved mechanism in apoptosis between insects and mammals.

关键词： active caspase 3 apoptosis Cyt-c Drosophila salivary gland