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NHC-derived carbon-centered luminescent radicals with shortwavelength emission via suppression of Kasha's rule

Science China Chemistry 2024年第8期67卷 2679-2685页

作者： Can Chen Xin Li Xinhua Ouyang Ying-Feng han Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education Xi’an Key Laboratory of Functional Supramolecular Structure and MaterialsCollege of Chemistry and Materials ScienceNorthwest UniversityXi’an 710127China College of Material Engineering Fujian Agriculture and Forestry University Fuzhou 350108China

Luminescent organic radicals have garnered increasing attention owing to their versatile applications in sensing, imaging, and organic light-emitting diodes(OLEds), attributed to their unique emission properties originating from the doublet spin ***, the natural narrow bandgap of organic free radicals typically limits their emission to the long-wavelength *** luminescent organic radicals with short-wavelength emission remains a significant challenge. Herein, a series of carbon-centered radicals with short-wavelength emission(383–476 nm) by combining N-heterocyclic carbenes with various polycyclic aromatic hydrocarbons(PAHs)(2-naphthyl, 2a~Ⅰ and 2b~Ⅰ;2-phenanthryl, 2a~Ⅱand 2b~Ⅱ;2-anthryl, 2a~Ⅲand 2b~Ⅲ;3-phenanthryl, 2a~Ⅳand 2b~Ⅳ). Theoretical calculations reveal that the introduction of PAHs significantly increases the ΔE_(d2-d1) in 2a^(Ⅰ–Ⅲ)and 2b^(Ⅰ–Ⅲ)compared to that in phenyl-derived radical congeners. Consequently, the internal transition from d2 to d1 is impeded, leading to a high yield of d2 emission and a suppressed Kasha's rule, thereby overcoming the limitations imposed by their narrow bandgap. For 2a~Ⅳ and 2b~Ⅳ, despite a moderately large ΔEd2-d1value, the ΔEd3-d1value exceeds 1 e V, indicating that their emission likely originates from the d3 state. Furthermore, we utilized 2a~Ⅲand 2b~Ⅲ as emissive materials in OLEds,resulting in blue emissions with external quantum efficiencies of 7.5% and 6.5%, respectively.

关键词： N-heterocyclic carbenes luminescent organic molecules carbon-centered radicals short-wavelength emission

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The competition between Bidens pilosa and Setaria viridis alters soil microbial composition and soil ecological function

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Journal of Integrative Agriculture 2024年第1期23卷 267-282页

作者： Qiao Li Jianying Guo han Zhang Mengxin Zhao State Key Laboratory for Biology of Plant diseases and Insect Pests Institute of Plant ProtectionChinese Academy of Agricultural SciencesBeijing 100193China College of Life Science Yangtze UniversityJingzhou 434025China

Bidens pilosa is recognized as one of the major invasive plants in *** invasion has been associated with significant losses in agriculture,forestry,husbandry,and *** ecosystems play an important role in alien plant *** within the soil act as intermediaries between plants and soil ecological functions,playing a role in regulating soil enzyme activities and nutrient *** the interactions between invasive plants,soil microorganisms,and soil ecological processes is vital for managing and mitigating the impacts of invasive species on the *** this study,we conducted a systematic analysis focusing on *** and Setaria viridis,a common native companion plant in the invaded *** simulate the invasion process of ***,we constructed homogeneous plots consisting of *** and *** grown separately as monocultures,as well as in *** rhizosphere and bulk soils were collected from the alien plant *** and the native plant *** order to focus on the soil ecological functional mechanisms that contribute to the successful invasion of ***,we analyzed the effects of *** on the composition of soil microbial communities and soil ecological *** results showed that the biomass of *** increased by 27.51% and that of *** was significantly reduced by 66.56%.The organic matter contents in the bulk and rhizosphere soils of *** were approximately 1.30 times those in the native plant *** TN and NO_(3)^(-)contents in the rhizosphere soil of *** were 1.30 to 2.71 times those in the native plant *** activities of acid phosphatase,alkaline phosphatase,and urease in the rhizosphere soil of *** were 1.98-2.25 times higher than in the native plant *** high-throughput sequencing of the16S rRNA gene,we found that *** altered the composition of the soil microbial ***,many genera in Actinobacteria and Proteobacteri

关键词： plant invasion Bidens pilosa soil microbial composition soil properties soil enzyme activities

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Galerkin-based quasi-smooth manifold element(QSME)method for anisotropic heat conduction problems in composites with complex geometry

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Applied Mathematics and Mechanics(English Edition) 2024年第1期45卷 137-154页

作者： Pan WANG Xiangcheng han Weibin WEN Baolin WANG Jun LIANG School of Civil Engineering Central South UniversityChangsha 410083China Institute of Advanced Structure Technology Beijing Institute of TechnologyBeijing 100081China School of Science Harbin Institute of TechnologyShenzhen 518055Guangdong ProvinceChina

The accurate and efficient analysis of anisotropic heat conduction problems in complex composites is crucial for structural design and performance evaluation. Traditional numerical methods, such as the finite element method(FEM), often face a trade-off between calculation accuracy and efficiency. In this paper, we propose a quasi-smooth manifold element(QSME) method to address this challenge, and provide the accurate and efficient analysis of two-dimensional(2d) anisotropic heat conduction problems in composites with complex geometry. The QSME approach achieves high calculation precision by a high-order local approximation that ensures the first-order derivative *** results demonstrate that the QSME method is robust and stable, offering both high accuracy and efficiency in the heat conduction analysis. With the same degrees of freedom(dOFs), the QSME method can achieve at least an order of magnitude higher calculation accuracy than the traditional FEM. Additionally, under the same level of calculation error, the QSME method requires 10 times fewer dOFs than the traditional FEM. The versatility of the proposed QSME method extends beyond anisotropic heat conduction problems in complex composites. The proposed QSME method can also be applied to other problems, including fluid flows, mechanical analyses, and other multi-field coupled problems, providing accurate and efficient numerical simulations.

关键词： anisotropic heat conduction quasi-smooth manifold element(QSME) composite with complex geometry numerical simulation finite element method(FEM)

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Electrolyte-gated SrCoO_(x) FET sensor for highly sensitive detecting pH in extreme alkalinity solution

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Nano Research 2024年第4期17卷 3079-3086页

作者： han Zhou Gaocan Qi Wenbin Li Yuhang Wang Zhihao Yuan School of Materials Science and Engineering Tianjin Key Lab of Photoelectric Materials&Devicesand Key Laboratory of Display Materials and Photoelectric Devices(Ministry of Education)Tianjin University of TechnologyTianjin 300384China

The pH monitoring is significantly important in chemical industry,biological process,and pollution ***,it remains a great challenge to measure pH in extreme alkalinity ***,we employ an electrolyte-gated field-effect-transistor(FET)strategy using non-stoichiometric SrCoO_(x) with rich oxygen-vacancy defects as channel materials for detecting extreme *** corresponding channel can provide effective oxygen-ion-migration sites for reversible transformation of OH-↔O_(2)-+H^(+)driven by electric *** resultant electrolyte-gated FET sensor exhibits a sensitive linear response to high concentrations of alkaline solution,1–20 ***,the sensor has the ability to directly indicate the pH values ranging from 14.0 to 17.0 in consideration of ion-activity coefficient *** work offers a great possibility for directly detecting base concentration as well as pH values in extreme alkaline solutions.

关键词： field-effect-transistor(FET) pH sensor extreme alkaline solution SrCoO_(x) oxygen-ion migration

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Ballistic target recognition based on multiple data representations and deep-learning algorithms

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Chinese Journal of Aeronautics 2024年第6期37卷 167-181页

作者： Lixun han Cunqian FENG Xiaowei HU Sisan HE Xuguang XU Air and Missile defense College Air Force Engineering UniversityXi’an 710051China College of Information and Communication National University of Defense TechnologyWuhan 430010China

Target recognition is a significant part of a Ballistic Missile defense System(BMdS).However,most existing ballistic target recognition methods overlook the impact of data representation on recognition *** paper focuses on systematically investigating the influences of three novel data representations in the Range-doppler(Rd)***,the Radar Cross Section(RCS)and micro-doppler(m-d)characteristics of a cone-shaped ballistic target are ***,three different data representations are proposed:Rd data,Rd sequence tensor data,and Rd trajectory *** accommodate various data inputs,deep-learning models are designed,including a two-dimensional Residual dense Network(2d RdN),a three-dimensional Residual dense Network-Gated Recurrent Unit(3d RdN-GRU),and a dynamic Trajectory Recognition Network(dTRN).Finally,an Electromagnetic(EM)computation dataset is collected to verify the performances of the networks.A broad range of experimental results demonstrates the effectiveness of the proposed ***,several key parameters of the proposed networks and datasets are extensively studied in this research.

关键词： Ballistic target Micro-doppler deep learning Range-doppler Radar target recognition

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Non-isothermal kinetics and characteristics of calcium carbide nitridation reaction with calcium-based additives

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Frontiers of Chemical Science and Engineering 2024年第4期18卷 49-61页

作者： Zhihan Zhang Mengxiao Yu Xiaoyu Zhang Jinli Zhang You han School of Chemical Engineering and Technology Tianjin UniversityTianjin 300350China Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China

The nitridation reaction of calcium carbide and N_(2) at high temperatures is the key step in the production of ***,the challenges faced by this process,such as high energy consumption and poor product quality,are mainly attributed to the lack of profound understanding of the *** study aimed to improve this process by investigating the non-isothermal kinetics and reaction characteristics of calcium carbide nitridation reaction at different heating rates(10,15,20,and 30℃·min^(-1))using thermogravimetric *** kinetic equation for the nitridation reaction of additive-free calcium carbide sample was obtained by combining model-free methods and model-fitting *** effect of different calcium-based additives(CaCl_(2) and CaF_(2))on the reaction was also *** results showed that the calcium-based additives significantly reduced reaction temperature and activation energy E_(a) by about 40% with CaF_(2) and by 55%-60% with CaCl_(2).The reaction model f(α)was also changed from contracting volume(R3)to 3-d diffusion models with d3 for CaCl_(2) and d4 for CaF_(2).This study provides valuable information on the mechanism and kinetics of calcium carbide nitridation reaction and new insights into the improvement of the lime-nitrogen process using calcium-based additives.

关键词： lime-nitrogen calcium carbide calciumbased additive thermogravimetric analysis nonisothermal kinetics

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Cross-upgrading of biomass hydrothermal carbonization and pyrolysis for high quality blast furnace injection fuel production:Physicochemical characteristics and gasification kinetics analysis

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International Journal of Minerals,Metallurgy and Materials 2024年第2期31卷 268-281页

作者： han dang Runsheng Xu Jianliang Zhang Mingyong Wang Jinhua Li State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China School of Chemical Engineering The University of QueenslandQueensland 4072Australia

The paper proposes a biomass cross-upgrading process that combines hydrothermal carbonization and pyrolysis to produce high-quality blast furnace injection *** results showed that after upgrading,the volatile content of biochar ranged from 16.19%to 45.35%,and the alkali metal content,ash content,and specific surface area were significantly *** optimal route for biochar pro-duction is hydrothermal carbonization-pyrolysis(P-HC),resulting in biochar with a higher calorific value,C=C structure,and increased graphitization *** apparent activation energy(E)of the sample ranges from 199.1 to 324.8 kJ/mol,with P-HC having an E of 277.8 kJ/mol,lower than that of raw biomass,primary biochar,and *** makes P-HC more suitable for blast furnace injection ***,the paper proposes a path for P-HC injection in blast furnaces and calculates potential environmental benefits.P-HC of-fers the highest potential for carbon emission reduction,capable of reducing emissions by 96.04 kg/t when replacing 40wt%coal injec-tion.

关键词： blast furnace injection biomass cross-upgrading hydrothermal carbonization pyrolysis physicochemical properties gasific-ation properties

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Light-Activated Virtual Sensor Array with Machine Learning for Non-Invasive diagnosis of Coronary Heart disease

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Nano-Micro Letters 2024年第12期16卷 427-448页

作者： Jiawang Hu Hao Qian Sanyang han Ping Zhang Yuan Lu department of Chemical Engineering Tsinghua UniversityBeijing 100084People’s Republic of China Key Laboratory of Industrial Biocatalysis Ministry of EducationTsinghua UniversityBeijing 100084People’s Republic of China department of Cardiology Xuanwu HospitalCapital Medical UniversityBeijing 100053People’s Republic of China department of Cardiology Beijing Tsinghua Changgung HospitalSchool of Clinical MedicineTsinghua UniversityBeijing 102218People’s Republic of China Institute of Biopharmaceutical and Health Engineering Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055People’s Republic of China

Early non-invasive diagnosis of coronary heart disease(CHd)is ***,it is challenging to achieve accurate CHd diagnosis via detecting *** this work,heterostructured complexes of black phosphorus(BP)and two-dimensional carbide and nitride(MXene)with high gas sensitivity and photo responsiveness were formulated using a self-assembly strategy.A light-activated virtual sensor array(LAVSA)based on BP/Ti_(3)C_(2)Tx was prepared under photomodulation and further assembled into an instant gas sensing platform(IGSP).In addition,a machine learning(ML)algorithm was introduced to help the IGSP detect and recognize the signals of breath samples to diagnose *** to the synergistic effect of BP and Ti_(3)C_(2)Tx as well as photo excitation,the synthesized heterostructured complexes exhibited higher performance than pristine Ti_(3)C_(2)Tx,with a response value 26%higher than that of pristine Ti_(3)C_(2)*** addition,with the help of a pattern recognition algorithm,LAVSA successfully detected and identified 15 odor molecules affiliated with alcohols,ketones,aldehydes,esters,and ***,with the assistance of ML,the IGSP achieved 69.2%accuracy in detecting the breath odor of 45 volunteers from healthy people and CHd *** conclusion,an immediate,low-cost,and accurate prototype was designed and fabricated for the noninvasive diagnosis of CHd,which provided a generalized solution for diagnosing other diseases and other more complex application scenarios.

关键词： Black phosphorus/MXene heterostructures Light-activated virtual sensor array diagnosis of coronary heart disease Machine learning

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A Novel On-Site-Real-Time Method for Identifying Characteristic Parameters Using Ultrasonic Echo Groups and Neural Network

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Chinese Journal of Mechanical Engineering 2024年第1期37卷 215-228页

作者： Shuyong duan Jialin Zhang Heng Ouyang Xu han Guirong Liu State Key Laboratory of Reliability and Intelligence of Electrical Equipment Hebei University of TechnologyTianjin 300401China department of Aerospace Engineering and Engineering Mechanics University of CincinnatiCincinnati 45221USA

On-site and real-time non-destructive measurement of elastic constants for materials of a component in a in-service structure is a challenge due to structural complexities,such as ambiguous boundary,variable thickness,nonuniform material *** work develops for the first time a method that uses ultrasound echo groups and artificial neural network(ANN)for reliable on-site real-time identification of material *** use of echo groups allows the use of lower frequencies,and hence more accommodative to structural *** train the ANNs,a numerical model is established that is capable of computing the waveform of ultrasonic echo groups for any given set of material properties of a given *** waveform of an ultrasonic echo groups at an interest location on the surface the structure with material parameters varying in a predefined range are then computed using the numerical *** results in a set of dataset for training the ANN *** the ANN is trained,the material parameters can be identified simultaneously using the actual measured echo waveform as input to the *** tests have been conducted both numerically and experimentally to evaluate the effectiveness and accuracy of the currently proposed *** results show that the maximum identification error of numerical example is less than 2%,and the maximum identification error of experimental test is less than 7%.Compared with currently prevailing methods and equipment,the proposefy the density and thickness,in addition to the elastic ***,the reliability and accuracy of inverse prediction is significantly ***,it has broad applications and enables real-time field measurements,which has not been fulfilled by any other available methods or equipment.

关键词： Parameter identification Ultrasonic echo group High-precision modeling Artificial neural network NdT

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Tensile strength behavior of cement-stabilized dredged sediment reinforced by polypropylene fiber

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Frontiers of Structural and Civil Engineering 2024年第3期18卷 380-392页

作者： Lei LANG Jiangshan LI Xin CHEN Lijun han Ping WANG State Key Laboratory of Geomechanics and Geotechnical Engineering Institute of Rock and Soil MechanicChinese Academy of SciencesWuhan 430071China Hubei Provincial Key Laboratory of Contaminated Sludge and Soil Science and Engineering Wuhan 430071China University of Chinese Academy of Sciences Beijing 100049China

This study evaluated the feasibility of using polypropylene fiber(PF)as reinforcement in improving tensile strength behavior of cement-stabilized dredged sediment(CdS).The effects of cement content,water content,PF content and length on the tensile strength and stress–strain behavioral evolutions were evaluated by conducting splitting tensile strength ***,the micro-mechanisms characterizing the tensile strength behavior inside PF-reinforced CdS(CPFdS)were clarified via analyzing macro failure and microstructure *** results indicate that the highest tensile strengths of 7,28,60,and 90 d CPFdS were reached at PF contents of 0.6%,1.0%,1.0%,and 1.0%,exhibiting values 5.96%,65.16%,34.10%,and 35.83%higher than those of CdS,***,3 mm,PF of showed the best reinforcement *** CPFdS exhibited obvious tensile strain-hardening characteristic,and also had better ductility than *** mix factor(C_(C)^(a)/C_(w)^(b))and time parameter(q_(t0)(t))of CdS,and the reinforcement index(k_(t-PF))of CPFdS were used to establish the tensile strength prediction models of CdS and CPFdS,considering multiple *** PF“bridge effect”and associated cementation-reinforcement coupling actions inside CPFdS were mainly responsible for tensile strength behavior *** key findings contribute to the use of CPFdS as recycled engineering soils.

关键词： dredged sediment chemical stabilization fiber reinforcement splitting tensile strength micro-mechanisms

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