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Predication of Selective Ring-opening Hydrogenolysis for Furfuryl Alcohol to Produce Pentanediol over Dual-atom Catalysts

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Chemical Research in Chinese Universities 2024年第1期40卷 55-63页

作者： wang Tingting wang jia XI Yongjie HU Bin LI Fuwei State Key Laboratory for Oxo Synthesis and Selective Oxidation Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000P.R.China University of Chinese Academy of Sciences Beijing 100049P.R.China

Selective activation of C-O bond is of fundamental importance in the precise conversion of oxygenates into value-added compounds in an atom-economic and sustainable manner, and meanwhile, the structurally well-defined dual-atoms catalysts (DACs) have been scarcely investigated in this field. In this study, a series of transition metal DACs anchored on nitrogen-doped graphene (TM2/NC, TM=Pt, Ir, Rh, Pd, Ru, Co, Ni and Cu) was constructed to make a comprehensive investigation of their selectivity in the hydrogenative transformation of furfuryl alcohol (FAL), an important biomass platform molecule, to 1,2-pentanediol (1,2-PeD) via selective cleavage of furanic C5-O bond, by density functional theory (DFT) calculations and microkinetic modeling. We found that Ir2/NC demonstrated a high selectivity for the cleavage of furanic C5-O bond to produce 1,2-PeD, while the production of THFAL or 1,5-pentanediol (1,5-PeD) on other TM2/NC catalysts are more favorable. Furthermore, we found that the selective C-O bond cleavage of FAL furan ring is affected by the orbital overlap between the d-orbitals of the anchored metal atoms and the p-orbitals of the adsorbed C atom in FAL, suggesting that the selectivity of the C-O bond cleavage is inextricably related with the electronic property of the anchored metals.

关键词： Furfuryl alcohol Hydrogenation Dual-atom catalyst Density functional theory(DFT)calculation

Nitric oxide assists nitrogen reduction reaction on 2D MBene: A theoretical study

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Chinese Chemical Letters 2024年第5期35卷 428-433页

作者： Chaozheng He jia wang Ling Fu Wei Wei Henan Engineering Center of New Energy Battery Materials College of Chemistry and Chemical EngineeringShangqiu Normal UniversityShangqiu 476000China School of Chemistry and Chemical Engineering Shandong Provincial Key Laboratory/Collaborative Innovation Center of Chemical Energy Storage&Novel Cell TechnologyLiaocheng UniversityLiaocheng 252059China Institute of Environment and Energy Catalysis Shaanxi Key Laboratory of Optoelectronic Functional Materials and DevicesSchool of Materials Science and Chemical EngineeringXi’an Technological UniversityXi’an 710021China College of Resources and Environmental Engineering Tianshui Normal UniversityTianshui 741001China

Electrocatalytic synthesis of ammonia as an environment-friendly and sustainable development method has received widespread attention in recent ***-dimensional(2D)materials are a promising catalyst for ammonia synthesis due to their large surface *** this work,we have constructed a series of 2D metal borides(MBenes)with transition metal(TM)defects(TMd-MBenes)and comprehensively calculated the reactivity of electrocatalytic synthesis of ammonia-based on density functional *** results have demonstrated that the TMd-MBenes can effectively activate nitrogen oxide(NO)and nitrogen(N2)molecules *** interesting,the co-chemisorption of O atoms,dissociated from NO,can facilitate the spilled of the inert N2 molecules into single N atoms,which can further hydrogenate into ammonia easily with an ultralow limiting potential of 0.59 V on *** research has not only provided clues for catalyst design for experimental study but also paved the way for the industrial application of electrocatalytic ammonia synthesis.

关键词： 2D mbenes Nitrogen electro-reduction DFT N_(2)activation Ammonia synthesis

Significant improvement after sensory tricks and trunk strength training for Parkinson’s disease with antecollis and camptocormia:A case report

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World Journal of Clinical Cases 2024年第2期12卷 443-450页

作者： jia-Ren wang Yue Hu Department of Neurology and Neurological Rehabilitation Shanghai Yangzhi Rehabilitation Hospital(Shanghai Sunshine Rehabilitation Center)Shanghai 201619China

BACKGROUND Patients with Parkinson's disease(PD)exhibit symptoms such as antecollis(AC)and camptocormia(CC).The pathology of these two conditions is ***,standard treatment methods have not been *** article reports the case of a 65-year-old female patient with AC and CC who was treated with central and peripheral interventions to alleviate *** SUMMARY We present the case of a 65-year-old female PD patient with AC and *** course of the disease was 5 *** was treated with rehabilitation strategies such as sensory tricks and trunk strength *** the inpatient period,we compared and analyzed the patient's gait,rehabilitation assessment scale score,and angles of her abnormal trunk posture in the first week,the third week,and the fifth *** patient's stride length increased,indicating that the patient's walking ability was *** Unified Parkinson's Disease Scale Part Three score and CC severity score ***,the score of the other scale *** addition,the patient showed significant improvements in AC,upper CC,and lower CC *** This case study suggested that sensory tricks and trunk strength training are beneficial and safe for patients with AC and CC.

关键词： Antecollis Camptocormia Parkinson's disease Sensory tricks Trunk strength training Case report

Microstructural evolution and deformation behavior of friction stir welded twin-induced plasticity steel

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Journal of Materials Science & Technology 2024年第2期169卷 68-81页

作者： Ke Qiao Kuaishe wang jia wang Zhengyang Hao Yating Xiang Peng Han Jun Cai Qi Yang Wen wang School of Metallurgical Engineering National and Local Joint Engineering Research Center for Functional Materials ProcessingXi’an University of Architecture and TechnologyXi’an 710055China Shanghai Research Institute of Materials Shanghai 200437China

The weldability of twin-induced plasticity(TWIP)steel with ultra-high strength via friction stir welding(FSW)technique was investigated,and microstructural evolution and deformation behavior of whole and micro-zones of FSW TWIP joint were studied for the first *** results showed that the content of recrystallized grains in the stir zone(SZ)increased from 10.5%of basal material(BM)to 14.2%,and that of heat affected zone(HAZ)increased to 78.6%.The percentage of annealing twins decreased from 26.8%in BM to 11%in SZ,while increased to 35%in *** with the BM,the ultimate tensile strength and yield strength of the FSW joint increased to 1036 and 550 MPa,respectively,reaching 106.7%and 110.9%of BM,*** elongation of the entire joint was 50.5%,which was lower than that of BM due to the nonuniform deformation during the tensile *** engineering strain was mainly concentrated in BM and SZ and transferred to each other during the tensile test,while the engineering strain in HAZ was always the ***,the tensile fracture occurred in the *** order of ultimate tensile strength of micro-zones in the FSW joint was as follows:HAZ>BM≈*** order of yield strength was as follows:HAZ>BM>SZ.

关键词： Twin-induced plasticity steel Friction stir welding Microstructure Mechanical property Deformation behavior

Dynamic Response of A Group of Cylindrical Storage Tanks with Baffles Considering the Effect of Soil Foundation

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China Ocean Engineering 2024年第1期38卷 129-143页

作者： SUN Ying wang jia-dong HUO Rui-li ZHOU Ding GU Zhen-yuan QIAN wang-ping School of Transportation and Civil Engineering Nantong UniversityNantong 226019China Faculty of Civil Engineering and Mechanics Jiangsu UniversityZhenjiang 212013China College of Civil Engineering Nanjing Tech UniversityNanjing 211816China

The sloshing in a group of rigid cylindrical tanks with baffles and on soil foundation under horizontal excitation is studied *** solutions for the velocity potential are derived out by the liquid subdomain *** models with mass-spring oscillators are established to replace continuous *** with the least square technique,Chebyshev polynomials are employed to fit horizontal,rocking and horizontal-rocking coupling impedances of soil,respectively.A lumped parameter model for impedance is presented to describe the effects of soil on tank structures.A mechanical model for the soil-foundation-tank-liquid-baffle system with small amount of calculation and high accuracy is proposed using the substructure *** analytical solutions are in comparison with data from reported literature and numerical codes to validate the effectiveness and correctness of the *** dynamic properties and seismic responses of the soil-tank system are given for the baffle number,size and location as well as soil parameter.

关键词： cylindrical tanks multiple annular baffles equivalent analytical model soil−structure interaction subdomain method dynamic response

Advances in controlled-release fertilizer encapsulated by organic-inorganic composite membranes

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Particuology 2024年第1期84卷 236-248页

作者： Xueping wang Yongyan Yang Shuangling Zhong Qingye Meng Yiwei Li jia wang Yan Gao Xuejun Cui College of Chemistry Jilin UniversityChangchun130012China College of Resources and Environment Jilin Agricultural UniversityChangchun130118China State Key Laboratory of Supramolecular Structure and Materials Jilin UniversityChangchun130012China Weihai Institute for Bionics-Jilin University Weihai264400China

Heavy use of conventional fertilizers can lead to negative environmental ***-release fertilizers(CRFs)can effectively reduce the amounts of fertilizers used,improve the availability of fer-tilizers,and which is conducive to the protection of the ecological environment and sustainable devel-opment of ***,it is imperative to develop and use CRFs as an alternative to traditional *** review aims to present the classification,raw material composition,benefits,release process,release mode,and manufacturing methods of fertilizers coated with organic-inorganic com-posite membranes(OICMs)in order to provide an overall update and summarize CRFs encapsulated by OICMs and provide an insight for future trends in the field of *** is expected that utilizing CRFs encapsulated by OICMs and their characteristics for agricultural applications can provide innovative ideas and suggestions for developing novel CRFs suitable for modern and sustainable agriculture.

关键词： Controlled-release fertilizers Organic-inorganic composite membranes Surface treatments

Electrostatically connected nanoarchitected electrocatalytic films for boosted water splitting

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Nano Research 2024年第3期17卷 1114-1122页

作者： Chao-Peng wang Hao Sun Gang Bian jia-Xi wang Xixi Pang Guoqi wang jian Zhu Xian-He Bu School of Materials Science and Engineering National Institute for Advanced MaterialsNankai UniversityTianjin 300350China Tianjin Key Laboratory of Metal and Molecule-Based Material Chemistry Nankai UniversityTianjin 300350China Tianjin Key Laboratory for Rare Earth Materials and Applications Nankai UniversityTianjin 300350China

Active sites of two-dimensional(2D)electrocatalysts are often partially blocked owing to their inevitable stacking and hydrophobic polymeric binders in macroscale electrodes,therefore impeding their applications in efficient ***,using layered double hydroxide(LDH)nanosheets as a model 2D electrocatalyst,we demonstrate that their performance toward water splitting can be boosted when they are electrostatically assembled into an organized structure pillared by hydrophilic polyelectrolytes or nanoparticles in a layer-by-layer(LbL)*** particular,their mass activity on a planar electrode can be as large as 2.267 mA·μg^(-1) toward oxygen evolution reaction(OER),when NiFe-LDH nanosheets are electrostatically connected by poly(sodium 4-styrenesulfonate)(PSS),while drop-casted NiFe-LDH nanosheets only have a mass activity of 0.116 mA·μg^(-1).In addition,these homogeneous NiFe-LDH nanofilms can be easily deposited on three-dimensional(3D)surfaces with high areas,such as carbon cloths,to serve as practical electrodes with overpotentials of 328 mV at a current density of 100 mA·cm^(-2),and stability for 40 ***,Pt nanoparticles can be LbL assembled with NiFe-LDH as bifunctional electrodes for synergistically boosted oxygen and hydrogen evolution reactions(HER),leading to successful overall water splitting powered by a 1.5 V *** study heralds the spatial control of 2D nanomaterials in nanoscale precision as an efficient strategy for the design of advanced electrocatalysts.

关键词： layer-by-layer(LbL)assembly layered double hydroxides(LDH) two-dimensional(2D)electrocatalysts oxygen evolution reaction(OER) water splitting

Photoinduced Dehalocyclization to Access Oxindoles Using Formate as a Reductant

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Chinese Journal of Chemistry 2024年第11期42卷 1203-1208页

作者： Wei Ge jia-Xin wang Ming-Chen Fu Yao Fu Hefei National Research Center for Physical Sciences at the Microscale iChEMCAS Key Laboratory of Urban Pollutant ConversionAnhui Province Key Laboratory of Biomass Clean EnergyUniversity of Science and Technology of ChinaHefeiAnhui230026 China Anhui Province Key Laboratory of Value-Added Catalytic Conversion and Reaction Engineering Hefei University of TechnologyHefeiAnhui230009 China

Herein,we report an efficient and practical protocol for the photoinduced dehalocyclization of ortho-halophenylacrylamides with formate by the engagement of a CO_(2) radical anion to access substituted *** method proceeds smoothly under mild conditions and exhibits a wide range of substrate as well as remarkable functional group compatibility.

关键词： Formate CO_(2)Radical ions Oxindole Photocatalysts Cyclization Organohalides

Towards Domain-agnostic Depth Completion

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Machine Intelligence Research 2024年第4期21卷 652-669页

作者： Guangkai Xu Wei Yin jianming Zhang Oliver wang Simon Niklaus Simon Chen jia-wang Bian Zhejiang University Hangzhou 310058China Dajiang Technology Shenzhen 518057China Adobe Research California 95110USA University of Oxford Oxford OX12JDUK

Existing depth completion methods are often targeted at a specific sparse depth type and generalize poorly across task *** present a method to complete sparse/semi-dense,noisy,and potentially low-resolution depth maps obtained by various range sensors,including those in modern mobile phones,or by multi-view reconstruction *** method leverages a data-driven prior in the form of a single image depth prediction network trained on large-scale datasets,the output of which is used as an input to our *** propose an effective training scheme where we simulate various sparsity patterns in typical task *** addition,we design two new benchmarks to evaluate the generalizability and robustness of depth completion *** simple method shows superior cross-domain generalization ability against state-of-the-art depth completion methods,introducing a practical solution to highqualitydepthcapture onamobile device.

关键词： Monocular depth estimation depth completion zero-shot generalization scene reconstruction neural network.