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SpectraTr:A novel deep learning model for qualitative analysis of drug spectroscopy based on transformer structure
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作者 Pengyou Fu Yue Wen +4 位作者 Yuke Zhang Lingqiao Li Yanchun Feng Lihui Yin Huihua Yang 《Journal of Innovative Optical Health Sciences》 SCIE EI CAS 2022年第3期107-117,共11页
The drug supervision methods based on near-infrared spectroscopy analysis are heavily dependent on the chemometrics model which characterizes the relationship between spectral data and drug categories.The preliminary ... The drug supervision methods based on near-infrared spectroscopy analysis are heavily dependent on the chemometrics model which characterizes the relationship between spectral data and drug categories.The preliminary application of convolution neural network in spectral analysis demonstrates excellent end-to-end prediction ability,but it is sensitive to the hyper-parameters of the network.The transformer is a deep-learning model based on self-attention mechanism that compares convolutional neural networks(CNNs)in predictive performance and has an easy-todesign model structure.Hence,a novel calibration model named SpectraTr,based on the transformer structure,is proposed and used for the qualitative analysis of drug spectrum.The experimental results of seven classes of drug and 18 classes of drug show that the proposed SpectraTr model can automatically extract features from a huge number of spectra,is not dependent on pre-processing algorithms,and is insensitive to model hyperparameters.When the ratio of the training set to test set is 8:2,the prediction accuracy of the SpectraTr model reaches 100%and 99.52%,respectively,which outperforms PLS DA,SVM,SAE,and CNN.The model is also tested on a public drug data set,and achieved classification accuracy of 96.97%without preprocessing algorithm,which is 34.85%,28.28%,5.05%,and 2.73%higher than PLS DA,SVM,SAE,and CNN,respectively.The research shows that the SpectraTr model performs exceptionally well in spectral analysis and is expected to be a novel deep calibration model after Autoencoder networks(AEs)and CNN. 展开更多
关键词 Near-infrared spectroscopy analysis drug supervision transformer structure deep learning CHEMOMETRICS
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The Road of“Coal to Gas”in the Transformation of Energy Structure—Current Status and Strategic Suggestions for Foshan City’s Policy Implementation
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作者 Wanyi Chen Yifeng Huang 《Journal of Electronic Research and Application》 2025年第1期74-80,共7页
Under the guidance of national policies,the“coal to gas”project has become one of the important measures to promote the transformation of energy structure in China.Foshan,an important industrial town in Guangdong pr... Under the guidance of national policies,the“coal to gas”project has become one of the important measures to promote the transformation of energy structure in China.Foshan,an important industrial town in Guangdong province,the implementation of the“coal to gas”policy has demonstrated significance for the optimization of the national energy structure.Through the analysis of the change in Foshan’s energy consumption structure and the implementation of the policy,this paper found that there were some challenges in the policy implementation process,such as high economic cost,lagging infrastructure,low social acceptance,and lack of technical personnel.To address this,suggestions are put forward,including increasing financial subsidies,improving laws and regulations,promoting technological innovation,and encouraging social inclusion policies.These recommendations aim to provide guidance and reference for the remaining“coal to gas”projects and the development of clean energy. 展开更多
关键词 Coal to gas Energy structure transformation Foshan City Clean energy
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Spatial-temporal Heterogeneity of Industrial Structure Transformation and Carbon Emission Effects in Xuzhou Metropolitan Area 被引量:3
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作者 QIU Fangdao YUAN He +1 位作者 BAI Liangyu LI Fei 《Chinese Geographical Science》 SCIE CSCD 2017年第6期904-917,共14页
Employing decoupling index and industrial structure characteristic bias index methods, this study analyzed the spatial-temporal characteristics of industrial structure transformations and their resulting carbon emissi... Employing decoupling index and industrial structure characteristic bias index methods, this study analyzed the spatial-temporal characteristics of industrial structure transformations and their resulting carbon emissions in the Xuzhou Metropolitan Area from 2000 to 2014, with a focus on their relationships and driving factors. Our research indicates that carbon emission intensity from industrial structures in the Xuzhou Metropolitan Area at first showed an increasing trend, which then decreased. Furthermore, the relationship between emissions and industrial economic growth has been trending toward absolute decoupling. From the perspective of the center-periphery, the Xuzhou Metropolitan Area formed a concentric pattern, where both progress towards low emissions and the level of technological advancement gradually diminished from the center to the periphery. In terms of variation across provinces, the ISCB index in the eastern Henan has decreased the slowest, followed by the southern Shandong and the northern Anhui, with the northern Jiangsu ranking last. During this period, resource-and labor-intensive industries were the primary growth industries in the northern Anhui and the eastern Henan, while labor-intensive industries dominated the southern Shandong and capital-intensive industries dominated the northern Jiangsu. In terms of city types, the spatial pattern for industrial structure indicates that recession resource-based cities had higher carbon emission intensities than mature resource-based cities, followed by non-resource-based cities and regenerative resource-based cities. Generally, the industrial structure in the Xuzhou Metropolitan Area has transformed from being resource-intensive to capital-intensive, and has been trending toward technology-intensive as resource availability has been exploited to exhaustion and then been regenerated. Industrial structure has been the leading factor causing heterogeneity of carbon emission intensities between metropolitan cities. Therefore, the key to optimizing the industrial structure and layout of metropolitan areas is to promote industrial structure transformation and improve the system controlling collaborative industrial development between cities. 展开更多
关键词 industrial structure transformation industrial structure characteristic bias carbon emission effect spatial-temporal pattern Xuzhou Metropolitan Area
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Economic Structure Transformation and Land Use Change of the Changjiang River Basin 被引量:3
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作者 WU Yingmei SU Yufang ZHANG Lei 《Chinese Geographical Science》 SCIE CSCD 2006年第4期289-293,共5页
Land, as a key factor of production, is an appropriate indicator of national and regional economic structure transformation. Land use in the Changjiang (Yangtze) River Basin (CRB) since the 1950s has experienced t... Land, as a key factor of production, is an appropriate indicator of national and regional economic structure transformation. Land use in the Changjiang (Yangtze) River Basin (CRB) since the 1950s has experienced these changes. Industrialization has been the most powerful force of the change in the regional development of the CRB. Virtually all regional resources were put into this effort to modernize the industrial production and urban construction systems of the CRB whose industrialization and urbanization has been a success story, with impressive structural change in both production and land use. These changes are evident ih modem urban areas, but even more in traditionally rural areas. The regression analysis of regional development in the CRB over an extended period shows that the dominant factor in regional land use change is widespread industrialization in rural areas rather than the expansion of urban area. Thus, urbanization has had a limited influence on land use change in the CRB. A major task in realizing more sustainable land use in the future development of CRB is to relocate industrial activities from rural to urban areas. 展开更多
关键词 economic structure transformation land use change Changjiang River Basin
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Synthesis and Structure Transformation of Orthorhombic LiMnO2 Cathode Materials by Sol-gel Method 被引量:1
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作者 ShixiZHAO HanxingLIU +1 位作者 QiangLI ShixiOUYANG 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2004年第1期46-48,共3页
Orthorhombic LiMnO2 cathode materials were synthesized successfully at lower temperature by sol-gel method. When LiMnO2 precursor prepared by sol-gel method was fired in air, the product was a mixture of spinel struct... Orthorhombic LiMnO2 cathode materials were synthesized successfully at lower temperature by sol-gel method. When LiMnO2 precursor prepared by sol-gel method was fired in air, the product was a mixture of spinel structure LiMn2O4 and rock-salt structure Li2MnO3, whereas in argon single-phase orthorhombic LiMnO2 could obtain at the range of 750℃ to 920℃. The substitution of Mn by Zn2+ or Co3+ in LiMnO2 led to the structure of LiMnO2 transiting to Qα-LiFeO2. The results of electrochemical cycles indicated that the discharged capacity of orthorhombic-LiMnO2 was smaller at the initial stages, then gradually increased with the increasing of cycle number, finally the capacity stabilized to certain value after about 10th cycles. This phenomenon reveals that there is an activation process for orthorhombic LiMnO2 cathode materials during electrochemical cycles, which is a phase transition process from orthorhombic LiMnO2 to tetragonal spinel Li2Mn2O4. The capacity of orthorhombic LiMnO2 synthesized at lower temperature is larger than that synthesized at high temperature. 展开更多
关键词 Orthorhombic LiMnO2 SYNTHESIS structure transformation Sol-gel method
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Formation of the structure-Ⅱgas hydrate from low-concentration propane mixed with methane 被引量:1
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作者 Sanya Du Xiaomin Han +8 位作者 Wenjiu Cai Jinlong Zhu Xiaobai Ma Songbai Han Dongfeng Chen Yusheng Zhao Hui Li Hailong Lu Xiaohui Yu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第6期306-314,共9页
It has been recognized that a small amount of propane mixed with methane can change greatly in not only the thermodynamics but also the structural properties of gas hydrate.However,its mechanism is still not well unde... It has been recognized that a small amount of propane mixed with methane can change greatly in not only the thermodynamics but also the structural properties of gas hydrate.However,its mechanism is still not well understood yet.In this research,structure-Ⅱ(sⅡ)hydrate is synthesized using a methanepropane gas mixture with an initial mole ratio of 99:1,and it is found that large(5~(12)6~4)cages are cooccupied by multiple gases based on the rigid structure analysis of neutron diffraction data.The first principles calculation and molecular dynamics simulation are conducted to uncover the molecular mechanism for sⅡmethane-propane hydrate formation,revealing that the presence of propane inhibits the formation of structure-Ⅰ(sⅠ)hydrate but promotes sⅡhydrate formation.The results help to understand the accumulation mechanism of natural gas hydrate and benefit to optimize the condition for gas storage and transportation in hydrate form. 展开更多
关键词 Multiple vip molecules CLATHRATES Neutron powder diffraction Structural transformation Molecular mechanism
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Effectiveness of Land Use Structure Evolution to Industrial Structure Transformation 被引量:2
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作者 ZHOU Xian-peng ZHAI Wen-xia KE Xin-li 《Asian Agricultural Research》 2012年第4期50-51,55,共3页
Scarcity of land resources and transformation of industrial structure is a pair of contradictory elements.We derive the characteristics of land use structure and industrial structure transformation in Xining City usin... Scarcity of land resources and transformation of industrial structure is a pair of contradictory elements.We derive the characteristics of land use structure and industrial structure transformation in Xining City using Transformation Coefficient(TC):first,in the period 1999-2000,the land use structure coefficient(θ1) declined by 79.55%,but the overall evolution trend is gentle;second,the transformation coefficient of industrial structure(θ2) tended to decline ceaselessly on the whole,a decrease of 36.09%(overall,the transformation coefficient of industrial structure is slightly greater than the land use structure coefficient);third,the inter-annual variation of the two experienced ups and downs(in the period 1999-2007,the inter-annual variation was great and in the period 2008-2010,the inter-annual variation tended to be gentle).On the basis of autocorrelation and co-integration model,we draw the following conclusions through analysis:first,the land use structure in Xining City plays a role in promoting industrial structure transformation;second,there is a long-term equilibrium relationship between the two.Finally,relevant policy recommendations are put forward for the industrial development in Xining City. 展开更多
关键词 Land use structure Industrial structure transformation Transformation Coefficient Xining City
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Disclosing the active integration structure and robustness of a pseudo-tri-component electrocatalyst toward alkaline hydrogen evolution
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作者 Hong-Hong Zou Wan-Qing Li +7 位作者 Cong-Hu Song Li-Ming Cao Xue-Feng Zhang Xuan-Yi Zhu Zi-Yi Du Jia Zhang Sheng-Liang Zhong Chun-Ting He 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第9期210-216,I0007,共8页
Designing multicomponent integration catalysts(MICs)has been a promising strategy for improving electrocatalytic hydrogen evolution reaction(HER)due to the highly active interfaces as well as electronic synergy.Nevert... Designing multicomponent integration catalysts(MICs)has been a promising strategy for improving electrocatalytic hydrogen evolution reaction(HER)due to the highly active interfaces as well as electronic synergy.Nevertheless,many fundamental questions such as their actual active species and the influence on long-term stability remain to be answered.Herein,we present the structural evolution from a pseudotri-component electrocatalyst of nitrogen-doped carbon supported nickel/vanadium nitride/vanadium oxide(Ni-VN-V_(2)O_(3)/NC)nanorods to the heterostructural nickel/vanadium nitride(Ni-VN/NC)nanosheets during chemical or electrochemical processes.The self-reconstructed Ni-VN/NC exhibits a robust stability under alkaline conditions,while maintaining initial efficient HER activity with a low overpotential of 76 mV at the current density of 10 mA cm^(-2).Theoretical calculations and quasi-in-situ spectroscopic technology unveil the redistribution of electrons on the synergistic active interface,which synchronously optimizes the affinities for hydrogen,hydroxide,and water molecules,thereby remarkably accelerating the HER kinetics by reducing the barrier of Volmer step. 展开更多
关键词 Hydrogen evolution reaction Multicomponent integration catalysts Structural transformation ELECTROCATALYSIS Density functional theory
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Impact of high dose Kr^+ ion irradiation on the corrosion behavior and microstructure of Zircaloy-4
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作者 QianWan XindeBai XiaoyangLiu 《Journal of University of Science and Technology Beijing》 CSCD 2005年第2期178-181,共4页
In order to investigate the ion irradiation effect on the corrosion behavior and microstructure of Zircaloy-4, the Zircaloy-4 film were prepared by electron beam deposition on the Zircaloy-4 specimen surface and irra... In order to investigate the ion irradiation effect on the corrosion behavior and microstructure of Zircaloy-4, the Zircaloy-4 film were prepared by electron beam deposition on the Zircaloy-4 specimen surface and irradiated by Kr ions using an accelerator at an energy of 300 keV with the dose from 1×1015 to 3×1016ions/cm2. The post-irradiation corrosion tests were conducted to rank the corrosion resistance of the resulting specimens by potentiodynamic polarization curve measurements in a 0.5 mol/L H2SO4 water so- lution at room temperature. Transmission electron microscopy (TEM) was employed to examine the microstructural change in the surface. The potentiodynamic tests show that with the irradiation dose increasing, the passive current density, closely related to the surface corrosion resistance, decreases firstly and increases subsequently. The mechanism of the corrosion behavior transformation is due to the amorphous phase formation firstly and the amorphous phase destruction and the polycrystalline structure formation in the irradiated surface subsequently. 展开更多
关键词 ZIRCALOY-4 irradiation damage corrosion resistance structure transformation
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Effect of martensitic transformation on nano/ultrafine-grained structure in 304 austenitic stainless steel 被引量:1
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作者 Na Gong Hui-bin Wu +3 位作者 Gang Niu Jia-ming Cao Da Zhang Tana 《Journal of Iron and Steel Research International》 SCIE EI CAS CSCD 2017年第12期1231-1237,共7页
304 austenitic stainless steel was cold rolled in the range of 20%-80%reductions and then annealed at 700-900°C for 60 sto obtain nano/ultrafine-grained(NG/UFG)structure.Transmission electron microscopy,electro... 304 austenitic stainless steel was cold rolled in the range of 20%-80%reductions and then annealed at 700-900°C for 60 sto obtain nano/ultrafine-grained(NG/UFG)structure.Transmission electron microscopy,electron backscatter diffraction and X-ray diffraction were used to characterize the resulting microstructures.The results showed that with the increase of cold reduction,the content of martensite was increased.The steel performed work hardening during cold-working owing to the occurrence of strain induced martensite which nucleated in single shear bands.Further rolling broke up the lath-type martensite into dislocation-cell type martensite because of the formation of slip bands.Samples annealed at 800-960°C for 60 swere of NG/UFG structure with different percentage of nanocrystalline(60-100 nm)and ultrafine(100-500 nm)grains,submicron size(500-1000 nm)grains and micron size(〉1000 nm)grains.The value of the Gibbs free energy exhibited that the reversion mechanism of the reversion process was shear controlled by the annealing temperature.For a certain annealing time during the reversion process,austenite nucleated first on dislocation-cell type martensite and the grains grew up subsequently and eventually to be micrometer/submicrometer grains,while the nucleation of austenite on lath-type martensite occurred later resulting in nanocrystalline/ultrafine grains.The existence of the NG/UFG structure led to a higher strength and toughness during tensile test. 展开更多
关键词 304 austenitic stainless steel Nano/ultrafine-grained structure Reversion mechanism Lath-type martensite Dislocation-cell type martensite Martensitic transformation
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Coacervate Structures of CdI_2 Thin Film Grown during Phase Transformation
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作者 Xiaoyan YE and Lili CAO(Dept. of Chemistry, Tsinghua University, Beijing 100084, China)Jizhong ZHANG and Hengde LI(Dept. of Materials Scieuce & Engineering, Tsinghua University, Beijing 100084, China) 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 1997年第4期296-298,共3页
The microstructure of CdI2 thin film grown during vapor-phase deposition was investigated by scanning electron microscopy (SEM). The thin film deposited on Si crystal consists of numerous sunflower-like aggregates. Th... The microstructure of CdI2 thin film grown during vapor-phase deposition was investigated by scanning electron microscopy (SEM). The thin film deposited on Si crystal consists of numerous sunflower-like aggregates. These aggregates display well self-assembly characteristics. The size of Sunflower-like aggregates is between 12 and 44 μm. Each sunflower-like aggregate is surrounded with many adjacent wings-'petals'. The structure of central region of the 'sunflower' is obviously difFerent from that of the 'petal'. Electron spectroscopy for chemical analysis (ESCA) was employed in determining the chemical valence of the thin film. Self-organization efFect is used to explain the coring growth process of CdI2 thin film 展开更多
关键词 Thin Coacervate structures of CdI2 Thin Film Grown during Phase Transformation
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Simple Model of Transformation of a Crystal Structures
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作者 B. I. Lev 《Journal of Modern Physics》 2016年第16期2366-2373,共8页
A simple model of the closely packed structure for system of hard-sphere particles interacting via the long-range Newtonian type attraction is suggested. Based on density functional theory, the exact equation of ... A simple model of the closely packed structure for system of hard-sphere particles interacting via the long-range Newtonian type attraction is suggested. Based on density functional theory, the exact equation of state is obtained and the mutual transformations of the crystal structures in such systems are studied. The description takes into account the fact impossibility of hard-sphere particles which have the same spatial occupation place. 展开更多
关键词 Density Functional Theory Transformation of structures Close-Packing structure
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Impact of Two-Way FDI on the Industrial Structure in Shandong Province Under the Background of “New and Old Kinetic Energy Conversion”
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作者 Zhiqing Xia Ge Song Zahid Hussain 《Proceedings of Business and Economic Studies》 2022年第5期153-157,共5页
This paper uses the panel data of 17 cities in Shandong Province from 2003 to 2018 to construct a panel model to empirically study the impact of foreign direct investment(FDI)on the industrial structure.The results sh... This paper uses the panel data of 17 cities in Shandong Province from 2003 to 2018 to construct a panel model to empirically study the impact of foreign direct investment(FDI)on the industrial structure.The results show that two-way investment,financial industry development,and policy variables have significant roles in promoting the advancement of the industrial structure in the province.In the future implementation of the“Going Global”strategy in Shandong Province,the cooperation between two-way investment and the financial industry should be strengthened,the level of regional financial development should be improved,and the impact of two-way investment on the optimization and upgrading of the industrial structure should be reinforced. 展开更多
关键词 New and old kinetic energy conversion Foreign direct investment Industrial structure transformation
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AI-Driven Occupational Structural Transformation and Service-Oriented Manufacturing
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作者 Pan Shan Guo Kaiming 《China Economist》 2025年第4期56-79,共24页
Occupational structural transformation is a common pattern during the steady growth of GDP per capita in major economies worldwide.In recent years,there has been a decline in the employment share of goods occupation a... Occupational structural transformation is a common pattern during the steady growth of GDP per capita in major economies worldwide.In recent years,there has been a decline in the employment share of goods occupation and an increase in service occupation within the Chinese manufacturing industry,presenting a trend of occupational structural transformation and rapid development of service-oriented manufacturing.It is an important driving force and typical performance of the high-end,intelligent,and green development of the manufacturing industry.As a strategic general technology which leads the new round of technological revolution and industrial transformation,artificial intelligence(AI)has become a new fundamental force to accelerate the occupational structural transformation and service-oriented manufacturing development in China.Thus,this paper establishes a dynamic general equilibrium model with AI technology and occupational heterogeneity,showing the endogenous mechanism of occupational structural transformation.We find that when AI technology is biased towards goods occupation,and the elasticity of substitution between goods occupation and service occupation is less than 1,then AI will drive the transformation of occupational structure from goods to service within the manufacturing sector,increase the proportion of service-oriented manufacturing,improve labor productivity of manufacturing relative to service and stabilize the real output share of manufacturing.Promoting deeper integration of different occupations,intensifying R&D in AI technology and reducing labor mobility barriers between occupations can effectively accelerate the occupational structural transformation and industrial structural upgrading.We use theoretical analysis and numerical simulation method to show the theoretical mechanism by which AI affects occupational structural transformation and industrial structural transformation from a macroeconomic perspective,and put forward policy implications on how to promote the service-oriented manufacturing development and accelerate the construction of modern industrial system through AI innovation. 展开更多
关键词 Artificial intelligence occupational structural transformation service-oriented manufacturing industrial structural transformation
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Microfinance for change: how financial innovation enables structural transformation
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作者 Shankar Ghimire Bharat Singh Thapa Rong Zheng 《Financial Innovation》 2025年第1期1585-1604,共20页
This study examines the influence of microfinance institutions’(MFIs)financial innovation on structural transformation.For this purpose,we considered a household survey from Nepal.The survey collected data on various... This study examines the influence of microfinance institutions’(MFIs)financial innovation on structural transformation.For this purpose,we considered a household survey from Nepal.The survey collected data on various individual and household characteristics,borrowing patterns,and occupations over the years.The key question focused on occupations before and after borrowing,a categorical response variable indicating 1 for occupational change after borrowing and 0 otherwise.Therefore,we use logistic regression to estimate the probability of occupational change,given two measures of financial innovation:loan purpose and size.The results show that the number of households involved in agriculture significantly decreased,with the majority switching to businesses and convenience stores,indicating a shift to the manufacturing and service sectors.These findings suggest that MFIs contribute to local-level structural transformation by enabling borrowers to move away from traditional employment.This study has important implications for policymakers,development practitioners,and academics interested in promoting economic development through microfinancing in low-income countries. 展开更多
关键词 MICROFINANCE Financial innovation Occupational change Structural transformation
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Beyond Tariffs:Unpacking China’s Economic Resilience
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作者 Zhang Hui 《China Today》 2025年第6期2-2,共1页
The latest economic data released by China’s National Bureau of Statistics for April 2025 underscores the country’s robust economic recovery and structural transformation.Industrial production surged by 6.1 percent ... The latest economic data released by China’s National Bureau of Statistics for April 2025 underscores the country’s robust economic recovery and structural transformation.Industrial production surged by 6.1 percent year on year,propelled by breakthroughs in advanced manufacturing,from high-tech industries to cutting-edge equipment sectors. 展开更多
关键词 economic recovery industrial production high tech industries advanced manufacturing structural transformationindustrial advanced manufacturingfrom structural transformation economic data
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Revisit the classical[Fe_(4)S_(4)(SR)_(4)]^(2–)molecular clusters:The steric effects of ligands and their structural transformations
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作者 Yuhao Jin Zheng Zhou Haixiang Han 《Chinese Journal of Structural Chemistry》 2025年第9期42-48,共7页
The synthesized molecular clusters featuring the cubic[4Fe–4S]core have been studied for several decades,as they serve as true analogs of the active components in ferritin within biological systems.Such a model clust... The synthesized molecular clusters featuring the cubic[4Fe–4S]core have been studied for several decades,as they serve as true analogs of the active components in ferritin within biological systems.Such a model cluster has been extensively investigated in various fields,including structural modulation,catalysis,and self-assembly under laboratory conditions,with the aim of gaining an in-depth understanding of their roles in biological functions.Herein,we revisited three well-known[Fe_(4)S_(4)(SR)_(4)]^(2–)molecules,namely[Me_(4)N]_(2)[Fe_(4)S_(4)(SR)_(4)](R=o-MBT,m-MBT,p-MBT),and successfully established their single crystal structures that remain unknown prior to this work.Interestingly,it is revealed that the position of the substituent methyl group has an obvious steric effect on the arrangement of the ligand around the[4Fe–4S]core,which further influences their overall packing patterns in single crystals.In addition,this work unveils two new structure transformation behaviors for the[Fe_(4)S_(4)(SR)_(4)]^(2–)system:i)the monomeric[Fe(SR)_(4)]^(2–)and tetrameric[Fe_(4)S_(4)(SR)_(4)]^(2–)can be interconverted,and ii)[Fe_(4)S_(4)(SR)_(4)]^(2–)can be transferred into an intriguing iron-oxide complex Na_(2)Fe_(6)O(OMe)_(18)·6MeOH in a well-controlled oxidizing environment. 展开更多
关键词 Iron sulfide clusters Steric effect of ligands Structural transformation X-ray crystallography
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Control of dislocation density maximizing precipitation strengthening effect 被引量:10
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作者 C.Xu W.J.Dai +6 位作者 Y.Chen Z.X.Qi G.Zheng Y.D.Cao J.P.Zhang C.C.Bu G.Chen 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2022年第32期133-143,共11页
The strength-ductility trade-off has been the most challenging problem for structural metals for centuries.Nanoprecipitation strengthening is an ideal approach to enhance the strength without significantly sacrificing... The strength-ductility trade-off has been the most challenging problem for structural metals for centuries.Nanoprecipitation strengthening is an ideal approach to enhance the strength without significantly sacrificing the ductility.Stable nanoprecipitates have been successfully acquired by nanostructural design,but the number density of nanoprecipitates cannot be further increased.Researchers attempted to enhance number density by introducing highly potent nucleation sites(e.g.,dislocations).However,there remains controversy over the influence of dislocations on the nucleation and growth of coherent nanoprecipitates with minimized nucleation barrier.Here,Cu-rich nanoprecipitates in an HSLA steel,as a typical type of coherent nanoprecipitates,are investigated.By combining analytical calculation and experiments,we show that dislocations are harmful for the formation of large numbered Cu-rich nanoprecipitates in a certain density range.Insufficient dislocations deprive solute atoms which decrease homogenous precipitation that cannot be compensated by the increase in heterogeneous precipitation.Under such circumstance,Cu-rich nanoprecipitates have smaller number density but larger size and higher fraction of incoherent structures due to rapid Ostwald ripening.As a result,by controlling dislocation density,the yield strength is increased by 24%without obvious loss in ductility as compared with traditional solution-quench-age process.Our work would help to optimize composition and processing routes that fully exploit the nanoprecipitation strengthening effect. 展开更多
关键词 Cu-rich nanoprecipitates Crystallographic defects NUCLEATION Structural transformation Ostwald ripening
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Influence of temperature on metal-organic frameworks 被引量:14
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作者 Yin-Xia Sun Wei-Yin Sun 《Chinese Chemical Letters》 SCIE CAS CSCD 2014年第6期823-828,共6页
Reaction temperature is one of the key parameters in the synthesis of metal-organic frameworks (MOFs). Though there is no convergence with regard to the various experimental parameters, reaction temperature has been... Reaction temperature is one of the key parameters in the synthesis of metal-organic frameworks (MOFs). Though there is no convergence with regard to the various experimental parameters, reaction temperature has been found to have remarkable influence on the formation and structure of MOFs, especially toward the control of topology and dimensionality of the MOF structures. Theoretically, the reaction temperature affects directly the reaction energy barrier in reaction thermodynamics and the reaction rate in the reaction kinetics. This review aims to show the influence of reaction temperature on crystal growth/assembly, structural modulation and transformation of MOFs, and to provide primary information and insights into the design and assernblv of desired MOFs. 展开更多
关键词 Metal-organic frameworks (MOFs) Reaction temperature Structural transformation
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Preparation, spectral characteristics and photocatalytic activity of Eu^(3+)-doped WO_3 nanoparticles 被引量:5
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作者 王聪 曹林 《Journal of Rare Earths》 SCIE EI CAS CSCD 2011年第8期727-731,共5页
Eu3+-WO3 nanoparticles were successfully prepared by the modified method of Pechini. The prepared samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution tra... Eu3+-WO3 nanoparticles were successfully prepared by the modified method of Pechini. The prepared samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), and UV-vis spectroscopy. Results showed that the Eu3+-WO3 nanoparticles, which had an average external diameter of 10–25 nm, were composed of the different shapes of puncheon and catenary after being pretreated by pH, pressure vessal, and surfactant. Moreover, structural transformation matrix contained different crystals of anorthic and orthorhombic structure. The photocatalytic activities of the nanoparticles were evaluated by photocatalytic decomposition of rhodamine B. Eu3+-WO3 nanoparticles were more efficient than WO3 and TiO2 on sunlight use ratio. Photocatalysis experiments indicated that the Eu3+-WO3 nanoparticles exhibited the highest photocatalytic activity. 展开更多
关键词 structural transformation spectral characteristics PHOTOCATALYSIS Eu3+-WO3 rare earths
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