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Stall Evolution Mechanism of a Centrifugal Compressor with a Wide-Long Vaneless Diffuser

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Journal of Thermal Science 2024年第3期33卷 899-913页

作者： zhang Lei KANG jiacheng LANG Jinhua AN Guangyao zhang Qian WANG Longyao WANG Qifang Department of Power Engineering North China Electric Power UniversityBaoding071003China Hebei Key Laboratory of Low Carbon and High Efficiency Power Generation Technology North China Electric Power UniversityBaoding071003China

The rotating stall mechanism is of high importance for the stability of centrifugal compressors and thermal power cycles.The majority of research concerning this topic has concentrated on the initial stall phase.However,the evolution of stall cells in wide-long diffusers has not been comprehensively studied.In this paper,the causes of rotating stall in the wide-long diffuser and the three-dimensional evolution mechanism of stall cells during the stall process were thoroughly analyzed.During the stall induction phase,an annulus vortex structure was found in the reverse-flow zone near the hub side of the diffuser outlet,which was the initial form of stall cells.The whole evolution process of stall cells was divided into three phases as the flow rate decreased.During the initial stall phase,the dynamic equilibrium was built under effects of the impeller wake and the adverse pressure gradient.As a result,the number of stall cells was kept at seven and the size of stall cells remained constant.During the transition phase,the flow in the diffuser became unstable.Stall cells extended to the impeller outlet,and the effect of the wake flow was strengthened significantly.Stall cells started integrating and separating regularly.As a result,the number and propagation speed of stall cells varied periodically at a constant mass flow rate.During the deep stall phase,the size of stall cells remained unchanged,and the number of stall cells kept at one.This study has important practical guidance and engineering value for the high-efficiency design and safe operation of centrifugal compressors.

关键词： centrifugal compressor wide-long vaneless diffuser stall evolution mechanism wake flow

Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application

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Acta Pharmaceutica Sinica B 2024年第2期14卷 623-634页

作者： jiacheng Xiong Rongrong Cui Zhaojun Li Wei zhang Runze zhang Zunyun Fu Xiaohong Liu Zhenghao Li Kaixian Chen Mingyue Zheng Drug Discovery and Design Center State Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China College of Computer and Information Engineering Dezhou UniversityDezhou 253023China AI Department Suzhou Alphama Biotechnology Co.Ltd.Suzhou 215000China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and TechnologyShanghaiTech UniversityShanghai 200031China State Key Laboratory of Pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Aldehyde oxidase(AOX)is a molybdoenzyme that is primarily expressed in the liver and is involved in the metabolism of drugs and other xenobiotics.AOX-mediated metabolism can result in unexpected outcomes,such as the production of toxic metabolites and high metabolic clearance,which can lead to the clinical failure of novel therapeutic agents.Computational models can assist medicinal chemists in rapidly evaluating the AOX metabolic risk of compounds during the early phases of drug discovery and provide valuable clues for manipulating AOX-mediated metabolism liability.In this study,we developed a novel graph neural network called AOMP for predicting AOX-mediated metabolism.AOMP integrated the tasks of metabolic substrate/non-substrate classification and metabolic site prediction,while utilizing transfer learning from 13C nuclear magnetic resonance data to enhance its performance on both tasks.AOMP significantly outperformed the benchmark methods in both cross-validation and external testing.Using AOMP,we systematically assessed the AOX-mediated metabolism of common fragments in kinase inhibitors and successfully identified four new scaffolds with AOX metabolism liability,which were validated through in vitro experiments.Furthermore,for the convenience of the community,we established the first online service for AOX metabolism prediction based on AOMP,which is freely available at https://***.

关键词： Drugmetabolism Aldehyde oxidase Transferlearning Graph neural network Kinase inhibitor

A review on electrocatalytic CO_(2) conversion via C-C and C-N coupling

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Carbon Energy 2024年第2期6卷 167-194页

作者： Zhuangzhi zhang Sijun Li Zheng zhang Zhou Chen Hua Wang Xianguang Meng Wenquan Cui Xiwei Qi jiacheng Wang Hebei Provincial Laboratory of Inorganic Nonmetallic Materials College of Materials Science and EngineeringNorth China University of Science and TechnologyTangshanChina Key Laboratory of Luminescence Analysis and Molecular Sensing Ministry of EducationCollege of Chemistry and Chemical EngineeringSouthwest UniversityChongqingChina State Key Laboratory of New Textile Materials and Advanced Processing Technologies Hubei Key Laboratory of Biomass Fibers and Eco-Dyeing and FinishingCollege of Chemistry and Chemical EngineeringWuhan Textile UniversityWuhanChina College of Materials Xiamen UniversityXiamenChina Hebei Iron and Steel Laboratory TangshanChina Hebei Key Laboratory for Environment Photocatalytic and Electrocatalytic Materials College of Chemical EngineeringNorth China University of Science and TechnologyTangshanChina College of Metallurgy and Energy North China University of Science and TechnologyTangshanChina State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghaiChina Institute of Electrochemistry School of Materials Science and EngineeringTaizhou UniversityTaizhouChina

Electrochemical C-C and C-N coupling reactions with the conversion of abundant and inexpensive small molecules,such as CO_(2) and nitrogencontaining species,are considered a promising route for increasing the value of CO_(2) reduction products.The development of high-performance catalysts is the key to the both electrocatalytic reactions.In this review,we present a systematic summary of the reaction systems for electrocatalytic CO_(2) reduction,along with the coupling mechanisms of C-C and C-N bonds over outstanding electrocatalytic materials recently developed.The key intermediate species and reaction pathways related to the coupling as well as the catalyst-structure relationship will be also discussed,aiming to provide insights and guidance for designing efficient CO_(2) reduction systems.

关键词： C-C coupling C-N coupling CO_(2) conversion electrocatalysis urea synthesis

Incorporating metal nanoparticles in porous materials via selective heating effect using microwave

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Nano Research 2024年第4期17卷 3175-3179页

作者： Yingyu Zhou jiacheng Liu Fuyuan Sun Junchen Ouyang Ruifa Su Fanchen Meng Yongqi Luo Cheng Xu Weina zhang Suoying zhang Fengwei Huo Key Laboratory of Flexible Electronics(KLOFE)&Institute of Advanced Materials(IAM) Nanjing Tech UniversityNanjing 211816China

Metal nanoparticle@porous material composites have attracted increasing attention due to their excellent synergistic catalytic performance.However,it is a challenge to introduce metal nanoparticles into cavities of porous materials without agglomeration on the exterior.Despite the progress achieved,a universal approach that can integrate different kinds of metal nanoparticles and porous materials is still highly desirable.Here we report a facile and general approach to fabricating metal nanoparticle@porous materials by microwave-triggered selective heating.The microwave can pass through the non-polar solvent and act on the polar solvent in the porous materials,causing the polar solvent to be heated,vaporized,and away from the pores of porous materials.The local void produced by the escape of polar solvent facilitates non-polar solvent containing metallic precursor to be dragged into the narrow pores,followed by further reduction,resulting in the complete encapsulation of nanoparticles.A series of metal nanoparticles@porous materials,ranging from metal-organic frameworks(MOFs)to zeolites,are successfully prepared by this method and show excellent size selectivity in catalytic reactions.

关键词： porous material nanoparticle encapsulation microwave synthesis selective heating effect selective catalysis

Recent advances in nickel-based catalysts in eCO_(2)RR for carbon neutrality

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Carbon Energy 2024年第2期6卷 61-91页

作者： Weikang Peng Fengfeng Li Shuyi Kong Chenxi Guo Haotian Wu jiacheng Wang Yi Shen Xianguang Meng Mingxi zhang Hebei Key Laboratory of Inorganic Nonmetallic Materials School of Materials Science and EngineeringNorth China University of Science and TechnologyTangshanHebeiChina Hebei Iron and Steel Laboratory North China University of Science and TechnologyTangshanChina State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghaiChina School of Materials Science and Engineering Taizhou UniversityZhejiangChina

The excessive use of nonrenewable energy has brought about serious greenhouse effect.Converting CO_(2) into high-value-added chemicals is undoubtedly the best choice to solve energy problems.Due to the excellent cost-effectiveness and dramatic catalytic performance,nickel-based catalysts have been considered as the most promising candidates for the electrocatalytic CO_(2) reduction reaction(eCO_(2)RR).In this work,the electrocatalytic reduction mechanism of CO_(2) over Ni-based materials is reviewed.The strategies to improve the eCO_(2)RR performance are emphasized.Moreover,the research on Ni-based materials for syngas generation is briefly summarized.Finally,the prospects of nickel-based materials in the eCO_(2)RR are provided with the hope of improving transition-metal-based electrocatalysts for eCO_(2)RR in the future.

关键词： carbon energy carbon neutrality CO_(2)reduction electrocatalysis nickel-based materials

Unveiling the geometric site dependent activity of spinel Co_(3)O_(4)for electrocatalytic chlorine evolution reaction

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Journal of Energy Chemistry 2024年第5期92卷 95-103页

作者： Linke Cai Yao Liu Jingfang zhang Qiqi Jia jiacheng Guan Hongwei Sun Yu Yu Yi Huang Key Laboratory of Pesticide&Chemical Biology of Ministry of Education Engineering Research Center of Photoenergy Utilization for Pollution Control and Carbon Reduction of Ministry of EducationCollege of ChemistryCentral China Normal UniversityWuhan 430079HubeiChina Key Laboratory of Green Chemical Engineering Process of Ministry of Education Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationHubei Key Laboratory of Novel Reactor and Green Chemical TechnologySchool of Chemical Engineering&PharmacyWuhan Institute of TechnologyWuhan 430205HubeiChina College of Materials Science and Engineering Fuzhou UniversityFuzhou 350108FujianChina School of Chemistry and Chemical Engineering Anhui UniversityHefei 230601AnhuiChina

Spinel cobalt oxide(Co_(3)O_(4)),consisting of tetrahedral Co^(2+)(CoTd)and octahedral Co^(3+)(CoOh),is considered as promising earth-abundant electrocatalyst for chlorine evolution reaction(CER).Identifying the catalytic contribution of geometric Co site in the electrocatalytic CER plays a pivotal role to precisely modulate electronic configuration of active Co sites to boost CER.Herein,combining density functional theory calculations and experiment results assisted with operando analysis,we found that the Co_(Oh) site acts as the main active site for CER in spinel Co_(3)O_(4),which shows better Cl^(-)adsorption and more moderate intermediate adsorption toward CER than CoTd site,and does not undergo redox transition under CER condition at applied potentials.Guided by above findings,the oxygen vacancies were further introduced into the Co_(3)O_(4) to precisely manipulate the electronic configuration of Co_(Oh) to boost Cl^(-)adsorption and optimize the reaction path of CER and thus to enhance the intrinsic CER activity significantly.Our work figures out the importance of geometric configuration dependent CER activity,shedding light on the rational design of advanced electrocatalysts from geometric configuration optimization at the atomic level.

关键词： Chlorine evolution reaction Geometry effects Active chlorine Electronic configuration optimization Spinel oxides

A multiple flame-retardant,early fire-warning,and highly sensitive thread-shaped all-fabric-based piezoresistive sensor

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Science China(Technological Sciences) 2024年第4期67卷 1151-1159页

作者： LI WeiBiao zhang Shuai MA ShuQi WANG jiacheng WANG Huan YANG QiRong SONG YongTao ZHU Jie North China Institute of Aerospace Engineering Langfang 065000China Langfang Fire and Rescue Division of Hebei Province Langfang 065000China School of Information Science and Engineering Xinjiang College of Science and TechnologyKorla 841000China

In the artificial intelligence age,multifunctional and intelligent fireproof fabric-based electronics are urgently needed.Herein,a novel thread-shaped all-fabric-based piezoresistive sensor(denoted as TAFPS)with properties such as flame retardancy,firewarning,and piezoresistivity is proposed,which is composed of an inner nickel-plated fabric electrode,a multifunctional double helix fabric,and an external flame-retardant encapsulation fabric.Owing to the multiple flame-retardant properties of glass fiber tubular fabric,aminated carbon nanotubes(ACNTs),and ammonium polyphosphate,the char residue of the TAFPS reaches40.3 wt%at 800℃.In addition,the heat-sensitive effect of ACNTs during combustion causes a rapid decrease in the TAFPS resistance,triggering the fire alarm system within 2 s.Additionally,benefiting from the force-sensitive behavior of the double helix layer and tightly wrapped pattern of the external heat-shrinkable tubular fabric,TAFPS demonstrated a high sensitivity of4.40 kPa^(-1)(0–5.81 k Pa)and good stability for 10000 s.Considering its excellent flame resistance,high sensitivity,and agreeable stability,the developed TAFPS can be integrated into fire suits to monitor the exercise training process and the external fire environment.This work offers a novel approach for fabricating all-fabric-based piezoresistive sensors in the future for fire prevention and fire alarms,with promising applications in fire protection,the Internet of Things,and smart apparel.

关键词： all-fabric piezoresistive sensor multiple flame retardancy agile fire-warning high sensitivity

The Mechanism of Morin Combined with Celastrol Induces Apoptosis and Inhibits the Growth of Lung Cancer

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Food Science and Human Wellness 2024年

作者： Jing Duan Jiayin zhang jiacheng Sun Yulin Fang College of Enology Northwest A&F University

Morin is a functional flavonoid commonly found in human diet. Compared to being used solely， it is evident that morin can be more effective as a drug adjuvant. However， research on the combined effect and its corresponding mechanism is limited. Here， we found that morin significantly potentiated the inhibitory effects of the natural compound celastrol on the proliferation of lung cancer cells. Morin and celastrol synergistically exhibit marked apoptosis induction in lung cancer cells， accompanied by changes in the abundance of apoptosis-related proteins. Transcriptome analyses revealed that the combination of morin and celastrol had a significant impact on the number of differentially expressed genes in lung cancer cells. Among these genes， BIRC3 was one of the most significantly different ones， which plays a crucial role in the process of tumor resistance to apoptosis. In addition， several genes identified are primarily associated with intracellular signal transduction pathways， specifically the NF-κB signaling pathway. Importantly， the treatment combining morin and celastrol in tumor-bearing mice results in a synergistic effect that significantly suppressed tumor growth. These findings indicate that morin could be a promising functional adjuvant， and the combination of morin and celastrol has potential for the treating lung cancer.

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Gigahertz-rate-switchable wavefront shaping through integration of metasurfaces with photonic integrated circuit

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Advanced Photonics 2024年第1期6卷 106-114页

作者： Haozong Zhong Yong Zheng jiacheng Sun Zhizhang Wang Rongbo Wu Ling-en zhang Youting Liang Qinyi Hua Minghao Ning Jitao Ji Bin Fang Lin Li Tao Li Ya Cheng Shining Zhu East China Normal University School of Physics and Electronic ScienceState Key Laboratory of Precision SpectroscopyShanghaiChina Nanjing University College of Engineering and Applied SciencesNational Laboratory of Solid State MicrostructuresNanjingChina China Jiliang University College of Optical and Electronic TechnologyHangzhouChina Shanxi University Collaborative Innovation Center of Extreme OpticsTaiyuanChina Chinese Academy of Sciences(CAS) Shanghai Institute of Optics and Fine Mechanics(SIOM)State Key Laboratory of High Field Laser Physics and CAS Center for Excellence in Ultra-Intense Laser ScienceShanghaiChina

Achieving spatiotemporal control of light at high speeds presents immense possibilities for various applications in communication,computation,metrology,and sensing.The integration of subwavelength metasurfaces and optical waveguides offers a promising approach to manipulate light across multiple degrees of freedom at high speed in compact photonic integrated circuit(PIC)devices.Here,we demonstrate a gigahertz-rate-switchable wavefront shaping by integrating metasurface,lithium niobate on insulator photonic waveguides,and electrodes within a PIC device.As proofs of concept,we showcase the generation of a focus beam with reconfigurable arbitrary polarizations,switchable focusing with lateral focal positions and focal length,orbital angular momentum light beams as well as Bessel beams.Our measurements indicate modulation speeds of up to the gigahertz rate.This integrated platform offers a versatile and efficient means of controlling the light field at high speed within a compact system,paving the way for potential applications in optical communication,computation,sensing,and imaging.

关键词： metasurface photonic integrated circuit lithium niobate on insulator high-speed modulation