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p-d Orbital Hybridization Engineered Single-Atom Catalyst for Electrocatalytic Ammonia Synthesis

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Energy & Environmental Materials 2024年第2期7卷 119-125页

作者： Jingkun yu Xue Yong Siyu lu Green Catalysis Center and College of ChemistryZhengzhou UniversityZhengzhou 450001China Department of Chemistry University of SheffieldSheffieldS37HFUK

The rational design of metal single-atom catalysts(SACs)for electrochemical nitrogen reduction reaction(NRR)is ***-dimensional metal-organic frameworks(2DMOFs)is a unique class of promising *** to now,the roles of individual metals,coordination atoms,and their synergy effect on the electroanalytic performance remain ***,in this work,a series of 2DMOFs with different metals and coordinating atoms are systematically investigated as electrocatalysts for ammonia synthesis using density functional theory *** a specific metal,a proper metal-intermediate atoms p-d orbital hybridization interaction strength is found to be a key indicator for their NRR catalytic *** hybridization interaction strength can be quantitatively described with the p-/d-band center energy difference(Δd-p),which is found to be a sufficient descriptor for both the p-d hybridization strength and the NRR *** maximum free energy change(ΔG_(max))andΔd-p have a volcanic relationship with OsC_(4)(Se)_(4)located at the apex of the volcanic curve,showing the best NRR *** asymmetrical coordination environment could regulate the band structure subtly in terms of band overlap and *** work may shed new light on the application of orbital engineering in electrocatalytic NRR activity and especially promotes the rational design for SACs.

关键词： first-principle calculations Nitrogen reduction p-d orbital hybridization single-atom catalysts

Supramolecular Biomaterials for Cancer Immunotherapy

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Research 2024年第2期2023卷 491-509页

作者： Huan Liang Qingqing lu Jie Yang Guocan yu College of Science Nanjing Forestry UniversityNanjing 210037P.R.China Key Laboratory of Bioorganic Phosphorus Chemistry&Chemical Biology Department of ChemistryTsinghua UniversityBeijing 100084P.R.China

Cancer immunotherapy has achieved tremendous successful clinical results and obtained historic victories in tumor ***,great limitations associated with feeble immune responses and serious adverse effects still cannot be neglected due to the complicated multifactorial etiology and pathologic microenvironment in *** rapid development of nanomedical science and material science has facilitated the advanced progress of engineering biomaterials to tackle critical *** supramolecular biomaterials with flexible and modular structures have exhibited unparalleled advantages of high cargo-loading efficiency,excellent biocompatibility,and diversiform immunomodulatory activity,thereby providing a powerful weapon for cancer *** past decades,supramolecular biomaterials were extensively explored as versatile delivery platforms for immunotherapeutic agents or designed to interact with the key moleculars in immune system in a precise and controllable *** this review,we focused on the crucial role of supramolecular biomaterials in the modulation of pivotal steps during tumor immunotherapy,including antigen delivery and presentation,T lymphocyte activation,tumor-associated macrophage elimination and repolarization,and myeloid-derived suppressor cell *** on extensive research,we explored the current limitations and development prospects of supramolecular biomaterials in cancer immunotherapy.

关键词： biomaterials limitations thereby

Simulation of nanofluid natural convection based on single-particle hydrodynamics in energy-conserving dissipative particle dynamics(eDPD)

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Applied Mathematics and Mechanics(English Edition) 2024年第8期45卷 1429-1446页

作者： Wei lu Shuo CHEN Zhiyuan yu Jiayi ZHAO School of Aerospace Engineering and Applied Mechanics Tongji UniversityShanghai 200092China Shanghai Key Laboratory of Vehicle Aerodynamics and Vehicle Thermal Management Systems Tongji UniversityShanghai 201804China School of Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai 200093China

In the present study,the nanofliud natural convection is investigated by the energy-conserving dissipative particle dynamics(eDPD)method,where the nanoparticles are considered at the single-particle *** thermal expansion coefficientβand the viscosityμof the simulated system containing nanoparticles are calculated and found to be in close alignment with the previous simulation *** single-particle hydrodynamics in e DPD enables simulations of nanofluid natural convection with higher Rayleigh numbers and greater nanoparticle volume ***,this approach is utilized to simulate the nanoparticle distribution during the enhanced heat transfer process in the nanofluid natural *** localized aggregation of nanoparticles enhances the heat transfer performance of the nanofluid under specific Rayleigh numbers and nanoparticles volume fractions.

关键词： single-particle hydrodynamics energy-conserving dissipative particle dynamics(eDPD) nanoparticle nanofluid heat transfer

pH- and near-infrared light-responsive,biomimetic hydrogels from aqueous dispersions of carbon nanotubes

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Nano Research 2024年第4期17卷 3120-3129页

作者： lulin Hu Xinxin yu Jingcheng Hao lu Xu Shandong Laboratory of Yantai Advanced Materials and Green Manufacturing Yantai 264000China State Key Laboratory of Solid lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China Yantai Center for Food and Drug Control Yantai 264000China Key Laboratory of Colloid and Interface Chemistry&Key Laboratory of Special Aggregated Materials Shandong UniversityJinan 250100China

Owing to their low flexibility,poor processability and a lack of responsiveness,inorganic materials are usually non-ideal for constructing a living ***,to date,lifelike materials with structural hierarchies and adaptive properties usually rely on light and soft organic molecules,although few exceptions have been acquired using two-dimensional(2D)inorganic ***,with a systematic study on the gelation behavior of carbon-based 0D quantum dots,1D nanotubes,and 3D fullerenes,we find that acidified 1D carbon nanotubes(CNTs)can serve as an alternative building block for fabricating purely inorganic biomimetic soft *** as-prepared CNT gels exhibit not only a pH-or photothermal-triggered mechanical and tribological adaptivity,which allows them to simulate the behavior of sea cucumbers,peacock mantis shrimps,and mammalian muscles or cortical bones,but also a unique damping property that is similar to spider’s cuticular *** high elasticity,effective lubrication,excellent biocompatibility,and controllable friction and wear also allow them to function as a new type of smart lubricants,whose tribological properties can be regulated either by its internal pH changes or spatiotemporally by near-infrared(NIR)light irradiations,free of any toxic and flammable base oils or additives.

关键词： biomimetic hydrogels carbon nanotubes(CNTs) mechanical and tribological adaptivity pH-and near-infrared(NIR)light responsiveness switchable lubrication

Optimized parameters of downhole all-metal PDM based on genetic algorithm

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Petroleum Science 2024年第4期21卷 2663-2676页

作者： Jia-Xing lu Ling-Rong Kong yu Wang Chao Feng yu-Lin Gao China University of Geosciences (Beijing) Key Laboratory on Deep Geo-Drilling Technology of Ministry of Natural Resources

Currently, deep drilling operates under extreme conditions of high temperature and high pressure,demanding more from subterranean power motors. The all-metal positive displacement motor, known for its robust performance, is a critical choice for such drilling. The dimensions of the PDM are crucial for its performance output. To enhance this, optimization of the motor's profile using a genetic algorithm has been undertaken. The design process begins with the computation of the initial stator and rotor curves based on the equations for a screw cycloid. These curves are then refined using the least squares method for a precise fit. Following this, the PDM's mathematical model is optimized, and motor friction is assessed. The genetic algorithm process involves encoding variations and managing crossovers to optimize objective functions, including the isometric radius coefficient, eccentricity distance parameter,overflow area, and maximum slip speed. This optimization yields the ideal profile parameters that enhance the motor's output. Comparative analyses of the initial and optimized output characteristics were conducted, focusing on the effects of the isometric radius coefficient and overflow area on the motor's performance. Results indicate that the optimized motor's overflow area increased by 6.9%, while its rotational speed reduced by 6.58%. The torque, as tested by Infocus, saw substantial improvements of38.8%. This optimization provides a theoretical foundation for improving the output characteristics of allmetal PDMs and supports the ongoing development and research of PDM technology.

关键词： Positive displacement motor Genetic algorithm Profile optimization Matlab programming Overflow area

Construction technology for deep tunnels crossing superhigh-temperature fault zones with high water surges

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Frontiers of Structural and Civil Engineering 2024年第8期18卷 1267-1280页

作者： Yong ZHAO Tingyu ZHU Li yu Ming lu Sichuan–Xizang Railway Co. Ltd.Linzhi 860000China School of Civil Engineering Southwest Jiaotong UniversityChengdu 610036China

The harsh environment in tunnels with high geothermal temperatures and humidity can adversely impact machinery,personnel,and *** main causes of specific problems are the unknown mechanisms of local geothermal formation,inappropriate temperature control measures,and insufficient systematic *** this study,three work sections relating to a high geothermal tunnel are:the tunnel face,middle-of-tunnel section,and outside-oftunnel section.A cooling strategy is proposed to offer technical support in achieving comprehensive cooling,overall as well as for each of the ***,a comprehensive geological survey explores the mechanism and exact location of the heat ***,grouting and centralized drainage measures are used to control the heat release of hot *** ventilation,ice chillers and other applicable measures are used to control the ambient ***,a monitoring and early warning system is established to prevent *** cooling strategy has been applied in the field with good results.

关键词： high geothermal tunnels cooling strategy comprehensive cooling measures safety and security

Advancement in porphyrin/phthalocyanine compounds-based perovskite solar cells

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The role of exosomes in adult neurogenesis:implications for neurodegenerative diseases

结构化学 2024年第3期43卷 55-66页

作者： Chen lu Zefeng yu Jing Cao State Key Laboratory of Applied Organic Chemistry Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu ProvinceCollege of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou730000PR China

Porphyrin and phthalocyanine compounds belong to a class of large and aromatic macrocyclic *** to their unique structures and electronic properties,they have found widespread applications in optoelectronic *** recent years,the doping of porphyrins and phthalocyanines into perovskite solar cells(PSCs)has emerged as an effective strategy to enhance device performance and *** doping strategy enables the modulation of perovskite film crystallization and surface defects,thereby improving charge transfer and enhancing the photo-conversion *** sensitizers,porphyrins and phthalocyanines absorb light in the visible and near-infrared spectral ranges,providing an advantage to the light absorption characteristics of ***,their roles in interface modification and defect repair contribute to the long-term stability of the *** central metal of porphyrin can also adsorb ions and prevent the migration of harmful *** review summarizes the recent progress in the research on porphyrin and phthalocyanine-doped PSCs,empha-sizing their potential value in enhancing optoelectronic performance,increasing stability and expanding the application scope of these devices.

关键词： Porphyrin Phthalocyanine Charge transport Interfacial chemistry Perovskite solar cells

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Neural Regeneration Research 2024年第2期19卷 282-288页

作者： Zhuoyang yu Yan Teng Jing Yang lu Yang Institute of Neurology Sichuan Provincial People’s HospitalUniversity of Electronic Science and Technology of ChinaChengduSichuan ProvinceChina Laboratory of Aging Research School of MedicineUniversity of Electronic Science and Technology of ChinaChengduSichuan ProvinceChina

Exosomes are cup-shaped extracellular vesicles with a lipid bilayer that is approximately 30 to 200 nm in *** are widely distributed in a range of body fluids,including urine,blood,milk,and *** exert biological function by transporting factors between different cells and by regulating biological pathways in recipient *** an important form of intercellular communication,exosomes are increasingly being investigated due to their ability to transfer bioactive molecules such as lipids,proteins,mRNAs,and microRNAs between cells,and because they can regulate physiological and pathological processes in the central nervous *** neurogenesis is a multistage process by which new neurons are generated and migrate to be integrated into existing neuronal *** the adult brain,neurogenesis is mainly localized in two specialized niches:the subventricular zone adjacent to the lateral ventricles and the subgranular zone of the dentate *** increasing body of evidence indicates that adult neurogenesis is tightly controlled by environmental conditions with the *** recent studies,exosomes released from different sources of cells were shown to play an active role in regulating neurogenesis both in vitro and in vivo,thereby participating in the progression of neurodegenerative disorders in patients and in various disease ***,we provide a state-of-the-art synopsis of existing research that aimed to identify the diverse components of exosome cargoes and elucidate the therapeutic potential of exosomal contents in the regulation of neurogenesis in several neurodegenerative *** emphasize that exosomal cargoes could serve as a potential biomarker to monitor functional neurogenesis in *** addition,exosomes can also be considered as a novel therapeutic approach to treat various neurodegenerative disorders by improving endogenous neurogenesis to mitigate neuronal loss in the central nervous system.

关键词： adult neurogenesis Alzheimer’s disease amyotrophic lateral sclerosis exosome Huntington’s disease neurodegenerative disease neurogenic niches Parkinson’s disease

Numerical simulation of transient characteristics in a bulb turbine during the load rejection process

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Journal of Hydrodynamics 2024年第1期36卷 170-183页

作者： yue lu yu-quan Zhang Zhong-wei He yuan Zheng College of Water Conservancy and Hydropower Engineering Hohai UniversityNanjing210098China College of Energy and Electrical Engineering Hohai UniversityNanjing210098China Huadong Engineering Corporation Ltd. Hangzhou311122China

To evaluate the safety of the bulb tubular turbine,the dynamic hydraulic characteristics of a hydropower station system during the load rejection process are studied through numerical simulations and a prototype *** the developed model,a dynamic grid technology(DGT)controls the closure of the guide vane and the blade,whilst the moment balance equation and the user-defined function(UDF)provide the runner’s rotation *** 3-D transient simulation method can well predict the rotation speed and mass flow curves in the state of load *** simulation outcomes of the system performance are basically consistent with the measurement data of the *** observed,the runner is subjected to the reversely increased torque and axial force,the system is in a braking phase,and the maximum speed peaks at 144.6%of the rated ***,the internal flow of the runner is greatly affected by the closure of the guide vane,and the draft tube forms an eccentric spiral vortex *** breaks downstream,aggravating the instability of the draft ***,the transient characteristics span for the first five seconds,demonstrating the importance of establishing an efficient governing *** obtained results are useful for designing the turbine’s flow channel with a double regulating function and comprehending the turbine’s transient characteristics.

关键词： Bulb tubular turbine load rejection numerical simulation dynamic grid prototype test