Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'...Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6.展开更多
To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content ...To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content in coal)catalysts were prepared by the incipient wetness impregnation method,followed by acid washing to remove calcium-containing minerals.Comprehensive characterization and low-temperature denitrification tests revealed that calcite-induced structural modulation of coal-derived AC significantly enhances catalytic activity.Specifically,NO conversion increased from 88.3%of Mn-Ce/De-AC to 91.7%of Mn-Ce/De-AC-1CaCO_(3)(210℃).The improved SCR denitrification activity results from the enhancement of physicochemical properties including higher Mn^(4+)content and Ce^(4+)/Ce^(3+)ratio,an abundance of chemisorbed oxygen and acidic sites,which could strengthen the SCR reaction pathways(richer NH_(3)activated species and bidentate nitrate active species).Therefore,NO removal is enhanced.展开更多
Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2...Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2)O(1)was synthesized as a 2D structure using Coas the metal source,methanol‑water(4∶6,V/V)as the solvent,and specific concentrations of 2,5‑furandicarboxylic acid(H_(2)FDCA)and 1,3,5‑triimidazole benzene(L).Adjusting to pure water and lowering the concentration of L yielded the 1D chain structure of[Co(HL)2(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(2).Using Cu(Ⅱ)as the metal source,methanol/water(9∶1,V/V)as the solvent,and specific concentrations of L and H2FDCA,the 1D chain structure of[Cu(L)(FDCA)(H_(2)O)]·2H_(2)O(3)was synthesized.Upon increasing the concentrations of L and H2FDCA,and switching the solvent to pure water,the 1D chain structure of[Cu(HL)_(2)(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(4)was obtained.This shows that changing the solvent and ligand concentrations can affect the structural changes of CPs.In addition,the solid‑state photoluminescence of CPs 1‑4 at room temperature was studied,and their morphological changes were observed via scanning electron microscopy.Density functional theory calculations revealed that the negative charge concentrates on the O and N atoms of the ligand,facilitating ligand‑metal ion coordination.CCDC:2403934,1;2403935,2;2403936,3;2403938,4.展开更多
In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented...In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented product FGPA-G 2-H on Aβ25-35-induced PC 12 cells were explored.The structure of GPA-G 2-H was determined by means of zeta potential analysis,FTIR,HPLC,XRD,GC-MS and NMR.The backbone of GPA-G 2-H was mainly composed of→4)-α-D-Glcp-(1→with branches substituted at O-3.Notably,GPA-G 2-H was degraded by intestinal microbiota in vitro with total sugar content and pH value decreasing,and short-chain fatty acids(SCFAs)increasing.Moreover,GPA-G 2-H significantly promoted the proliferation of Lactobacillus,Muribaculaceae and Weissella,thereby making positive alterations in intestinal microbiota composition.Additionally,FGPA-G 2-H activated the Nrf 2/HO-1 signaling pathway,enhanced HO-1,NQO 1,SOD and GSH-Px,while inhabited Keap 1,MDA and LDH,which alleviated Aβ-induced oxidative stress in PC 12 cells.These provide a solid theoretical basis for the further development of ginseng polysaccharides as functional food and antioxidant drugs.展开更多
Anchovies are key forage species in coastal and pelagic food webs,playing crucial ecological and commercial roles in marine ecosystems.Encrasicholina punctifer is a commercially and ecologically important species,yet ...Anchovies are key forage species in coastal and pelagic food webs,playing crucial ecological and commercial roles in marine ecosystems.Encrasicholina punctifer is a commercially and ecologically important species,yet little is known about its osteological development characteristics.Understanding these ontogenetic patterns is essential for explaining phylogenetic relationships within Clupeiformes,informing larval identification in ichthyoplankton surveys,and enhancing aquaculture practices.This study describes the ontogenetic characteristics of the appendicular and median skeletons and fin supports in E.punctifer larvae and juveniles,providing quantitative ontogenetic timelines to address gaps in engraulid developmental biology and contribute to teleost ontogeny research.Larval and juvenile specimens of E.punctifer;size range:3.00-34.56 mm standard length(SL)and notochord length(NL)collected from the Philippine Sea were processed using the standard Alizarin red and Alcian blue clearing-and-staining technique to differentiate ossified and cartilaginous elements.Specimens were examined under a stereo microscope and imaged with an HTC1600ISP digital camera for detailed morphological analysis of skeletal structures.Caudal complex development was evident by 5.55 mm NL,with the initial appearance of cartilaginous hypurals 1–2 and parhypural,followed by Hy3–5 at 6.08 mm NL.Cartilaginous Hy6 was visible by 9.58 mm SL in postflexion larvae.Six hypural bones were present from the postflexion to juvenile stage.Principal fin rays formed via intramembranous ossification at 6.32 mm NL,and segmentation was evident by 10.24 mm SL.Neural arch 1 appeared at 7.38 mm NL,preceding full haemal arch development.Uroneurals 1–2 and ural centra ossified by 9.58 mm SL,with Hy5 detached from U1 at 10.24 mm SL.Preural centra ossified before the arches.Epurals 1 and 2 were evident by 10.24 mm SL.Dorsal fin proximal radials developed anteriorly and distal radials posteriorly.Pectoral fin development initiated with an ossified cleithrum and the coracoscapular cartilage at 5.25 mm NL.By 10.24 mm SL,cartilaginous neural and haemal arches and spines were distinct.Uroneural 1 initially develops as cartilage.The formation of a pleurostyle aligns with clupeoid fish skeletal ontogeny.Dorsal and anal fin development follows a distinctive pattern,with variability in fin support development.Our results reveal accelerated caudal complex formation in E.punctifer and contribute new knowledge on the osteological characteristics of the genus Encrasicholina,and aid in understanding larval and juvenile ontogeny of marine teleosts.展开更多
Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-ins...Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes.展开更多
Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-e...Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-energy rockfall protection remains limited due to their relatively low volumetric energy absorption efficiency and the complex fabrication processes of key energy-absorbing components.To address these limitations,this study proposes a novel sandwich structure incorporating mild steel tubes as core energy absorbers to efficiently mitigate highenergy rockfall impacts.A finite element model was developed in LS-DYNA to systematically investigate the deformation and energy absorption behaviors.Comprehensive parametric analyses were conducted to quantify the effects of key design variables,including tube wall thickness,tube spacing(number of tubes),and infill materials.The results demonstrate that increasing tube wall thickness significantly enhances ultimate energy absorption,with 12-mm-thick tubes absorbing 2.2 times more energy than 6-mm-thick tubes.Lateral constraints induced by adjacent tubes improve specific energy absorption per unit displacement by approximately 30%-45%.Furthermore,incorporating infill materials considerably enhances energy absorption,with aluminum foam infills achieving an 81%increase compared to empty tubes.Nevertheless,higher energy absorption capacity typically leads to greater peak impact forces,increasing the number of tubes offers a better balance between energy absorption and impact force,optimizing the structural performance.These findings provide valuable theoretical insights and practical guidelines for designing sandwich structures in civil and infrastructure engineering applications for effective rockfall protection.展开更多
Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimizat...Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.展开更多
Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted dru...Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted drug delivery.For implants,mechanical properties are key performance characteristics,so understanding the deformation and failure mechanisms is essential for selecting the appropriate implant structure.The deformation and fracture processes in PLA samples with different interior architectures have been studied through computer simulation and experimental research.Two TPMS topologies,the Schwarz Diamond and Gyroid architectures,were used for the sample construction by 3D printing.ANSYS software was utilized to simulate compressive deformation.It was found that under the same load,the vonMises stresses in the Gyroid structure are higher than those in the Schwartz Diamond structure,which was associated with the different orientations of the cells in the studied structures in relation to the direction of the loading axis.The deformation process occurs in the local regions of the studied TPMS structures.Maximum von Mises stresses were observed in the vertical parts of the structures oriented along the load direction.It was found that,unlike the Gyroid,the Schwartz Diamond structure contains a frame that forms unique stiffening ribs,which ensures the redistribution of the load under the vertical loading direction.An analysis of the mechanical characteristics of PLA samples with the Schwartz Diamond and Gyroid structures produced by the Fused Deposition Modeling(FDM)method was correlated with computer simulation.The Schwarz Diamond-type structure was shown to have a higher absorption energy than the Gyroid one.A study of the fracture in PLA samples with various cell sizes revealed a particular feature related to the samples’periodic surface topology and the 3D printing process.Scanning electron microscopic(SEM)studies of the samples deformed by compression showed thatwith an increase in the density of the samples,the failure mechanism changes from ductile to quasi-brittle due to the complex participation of both cell deformation and fiber deformation.展开更多
Soil fertility and forest structure influence tree carbon stocks.However,it remains unclear how tree mycorrhizal types affect these relationships.This study addressed the question of how aboveground and belowground tr...Soil fertility and forest structure influence tree carbon stocks.However,it remains unclear how tree mycorrhizal types affect these relationships.This study addressed the question of how aboveground and belowground tree carbon stocks in soils with different mycorrhizal types are affected by soil fertility and forest structure.Tree demographic data were used from a 21.12-ha study area collected over a ten-year period(2009-2019),covering 43species of woody plants and more than 50,000 individuals.Relationships between tree carbon stock,soil fertility and forest structure(stand density,diameter variation,species diversity and spatial distribution)were examined,as well as whether these relationships differed between arbuscular mycorrhiza and ectomycorrhizal mycorrhiza groups in a typical temperate conifer and broad-leaved mixed forest.We found that total tree carbon stock was positively impacted by variations in stand density and tree diameter but negatively influenced by soil fertility,tree species diversity and uniform angle index.Soil fertility promoted carbon stock of trees associated with arbuscular mycorrhiza(AM)but inhibited the carbon stock of trees with ectomycorrhizal mycorrhiza fungi(EcM).Carbon stock of AM trees was mainly influenced by soil fertility,while carbon stock of EcM trees was influenced by stand density.Our findings show that mycorrhizae types mediate the impact of stand structure and soil fertility on tree carbon stocks and provides new evidence on how forest tree carbon stocks may be enhanced based on the types of mycorrhizal associations.Tree species with different mycorrhizal types can be managed in different ways.展开更多
Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structu...Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structural rigidity and flexibility,ensuring material integrity during large deformations,and providing adequate load-bearing capacity and stability once deployed.Most research has focused on optimizing cutout size and shape,while topology optimization offers a broader design space.However,the anisotropic properties of woven composite laminates,complex failure criteria,and multi-performance optimization needs have limited the exploration of topology optimization in this field.This work derives the sensitivities of bending stiffness,critical buckling load,and the failure index of woven composite materials with respect to element density,and formulates both single-objective and multi-objective topology optimization models using a linear weighted aggregation approach.The developed method was integrated with the commercial finite element software ABAQUS via a Python script,allowing efficient application to cutout design in various DCTWS configurations to maximize bending stiffness and critical buckling load under material failure constraints.Optimization of a classical tubular hinge resulted in improvements of 107.7%in bending stiffness and 420.5%in critical buckling load compared to level-set topology optimization results reported in the literature,validating the effectiveness of the approach.To facilitate future research and encourage the broader adoption of topology optimization techniques in DCTWS design,the source code for this work is made publicly available via a Git Hub link:https://github.com/jinhao-ok1/Topo-for-DCTWS.git.展开更多
The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometr...The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometric distortions, leading to a diminution in the predictive accuracy of the distorted similitude. To address this challenge, this study formulates a novel set of scaling laws, tailored to account for the intricate geometric distortions associated with elastic rings. The proposed scaling laws are formulated based on the intrinsic deformation characteristics of elastic rings, rather than the traditional systemic governing equations. Numerical and experimental cases are conducted to assess the efficacy and precision of the proposed scaling laws, and the obtained results are compared with those achieved by traditional methods. The outcomes demonstrate that the scaling laws put forth by this study significantly enhance the predictive capabilities for deformations of elastic rings.展开更多
Fine-grained nuclear graphite is a key material in high-temperature gas-cooled reactors(HTGRs).During air ingress accidents,core graphite components undergo severe oxidation,threatening structural integrity.Therefore,...Fine-grained nuclear graphite is a key material in high-temperature gas-cooled reactors(HTGRs).During air ingress accidents,core graphite components undergo severe oxidation,threatening structural integrity.Therefore,understanding the oxidation behavior of nuclear graphite is essential for reactor safety.The influence of oxidation involves multiple factors,including temperature,sample size,oxidant,impurities,filler type and size,etc.The size of the filler particles plays a crucial role in this study.Five ultrafine-and superfine-grained nuclear graphite samples(5.9-34.4μm)are manufactured using identical raw materials and manufacturing processes.Isothermal oxidation tests conducted at 650℃-750℃ are used to study the oxidation behavior.Additionally,comprehensive characterization is performed to analyze the crystal structure,surface morphology,and nanoscale to microscale pore structure of the samples.Results indicate that oxidation behavior cannot be predicted solely based on filler grain size.Reactive site concentration,characterized by active surface area,dominates the chemical reaction kinetics,whereas pore tortuosity,quantified by the structural parameterΨ,plays a key role in regulating oxidant diffusion.These findings clarify the dual role of microstructure in oxidation mechanisms and establish a theoretical and experimental basis for the design of high-performance nuclear graphite capable of long-term service in high-temperature gas-cooled reactors.展开更多
Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled t...Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.展开更多
To realize the practical application of anion exchange membrane water electrolysis(AEMWE),it is essential to develop highly active,durable,and cost-effective electrocatalyst for oxygen evolution reaction(OER).Herein,w...To realize the practical application of anion exchange membrane water electrolysis(AEMWE),it is essential to develop highly active,durable,and cost-effective electrocatalyst for oxygen evolution reaction(OER).Herein,we report a hollow-structured Ni_(x)Co_(1−x)O/Ni_(3)S_(2)/Co_(9)S_(8)heterostructure synthesized via sequential template-assisted growth,thermal oxidation,and controlled sulfidation process.The abundant bimetallic heterointerfaces not only provide additional active sites but also promote electronic modulation via charge redistribution.Additionally,the porous and hollow architecture enhances active surface area and mass transfer ability,thereby increasing the number of accessible active sites for alkaline OER.As a result,the prepared electrocatalyst achieves low overpotential of 310 mV at 10 mA cm^(−2)and small Tafel slope of 55.94 mV dec^(−1),demonstrating the exceptional electrocatalytic performance for alkaline OER.When integrated as the anode in an AEMWE cell,it delivers outstanding performance with only 1.657 V at 1.0 A cm^(−2)and reaches high current density of 5.0 A cm^(−2)at 1.989 V,surpassing those of commercial RuO_(2).The cell also shows excellent long-term durability over 100 h with minimal degradation.This study highlights the strong potential of rationally engineered oxide/sulfide heterostructures for next-generation alkaline water electrolysis.展开更多
The vertical heterogeneity of the pore structure in deep coal seams with varying ash yields is a key control for coalbed methane storage and producibility;however,its specific impact on gas adsorption is not clearly d...The vertical heterogeneity of the pore structure in deep coal seams with varying ash yields is a key control for coalbed methane storage and producibility;however,its specific impact on gas adsorption is not clearly defined.The focus of this study is the No.8 coal seam of the Carboniferous Benxi Formation in the Central-Eastern Ordos Basin.By integrating microscopic identification,proximate analysis,gas adsorption(CO_(2),N_(2),and CH_(4)),and the multifractal theory,we quantitatively characterized the nanopore structure(micropores<2 nm and mesopores 2 nm-100 nm)of coal reservoirs with varying ash yields.The results indicate that(1)ash yield is the primary factor that controls the vertical evolution of pore structures in coal seams.In low-ash yield coal seams,the extent of thermal evolution and ash yield jointly constrain the heterogeneity of pore size distribution.In mediumto high-ash yield coal seams,the heterogeneity of pore structure and pore size distribution are predominantly constrained by ash yield.(2)As the ash yield vertically increases,the mesoporous pore volume and specific surface area initially decrease and subsequently increase,while the contribution of micropores to both pore volume and specific surface area continuously diminishes.Consequently,the total pore volume and specific surface area of the coal samples exhibit a two-stage reduction close to an ash yield threshold of approximately 20%.(3)Further,the Langmuir volume for CH_(4)adsorption sharply declines below the 20%threshold,followed by a gradual decrease;in contrast,the Langmuir pressure initially decreases and subsequently increases.Hence,the vertical increase in ash yield constrains the development of pore systems and diminishes pore connectivity,thereby reducing methane adsorption capacity and adversely affecting coalbed methane productivity.(4)Low-ash yield coal reservoirs are characterized by a rapid gas breakthrough and high productivity,whereas medium-ash yield coal reservoirs generally require prolonged depressurization to achieve peak gas production.These findings reveal that in medium-high rank coal,ash yield―and not thermal evolution―is the main factor that controls vertical pore evolution and methane adsorption efficiency.The quantitative ash yield threshold(20%)established in this study provides a practical criterion for evaluating reservoir quality and predicting vertical variations in gas storage potential in the Ordos Basin.展开更多
Peroxymonosulfate(PMS)-based advanced oxidation technology has been proven to be a viable option for the decontamination of organic pollutants from water bodies.Advanced catalyst design is essential to this technology...Peroxymonosulfate(PMS)-based advanced oxidation technology has been proven to be a viable option for the decontamination of organic pollutants from water bodies.Advanced catalyst design is essential to this technology.Herein,a vanadium-doped LaFeO_(3) perovskite(LFO-V)featuring asymmetric Fe-O-V sites was rationally designed.Thanks to orbital electron interaction between Fe and V atoms,the modified electronic structure elevated electron density near the Fermi energy level while reducing the energy barrier toward effective PMS activation.This facilitated concurrent PMS reduction at the Fe sites to generate SO_(4)^(·-)and·OH(57.7%),and PMS oxidation at V sites to produce ^(1)O_(2)(42.3%).The LFO-V/PMS system demonstrated excellent tetracycline(TC)degradation performance with a 2-fold enhancement in rate constant compared to that of pristine LFO.Further,the LFO-V maintained long-term stability,and the toxicity of degradation intermediates was evaluated through microbial metabolomics.This work establishes an effective route to regulate the PMS activation pathways through precise electronic structure modulation,advancing the rational design of advanced Fenton-like catalysts.展开更多
4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial...4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial scale.However,due to the formation of regioisomeric impurities during bromination and the low melting point of BMP,the separation process is prone to the formation of oily substances,resulting in low yield and purity.In this work,a new cocrystallization engineering approach was proposed to separate and purify BMP.Through design of experiments,the cocrystallization process of BMP and triethylenediamine(DABCO)was optimized using a minimum-run resolution IV screening design combined with response surface methodology.In addition,the obtained 2BMP-DABCO powder was characterized by thermal analysis,powder X-ray diffraction,infrared spectroscopy,and scanning electron microscopy.Single crystals of 2BMP-DABCO were grown from acetone by slow evaporation,and detailed structural information was obtained through single-crystal X-ray diffraction.The self-assembly mechanism was further clarified by density functional theory calculations.This study provides a simple,robust,and scalable method for the production of BMP and offers a reference for the separation and purification of phenolic substances.展开更多
Abuse of chloramphenicol(CAP)could cause serious side effects to human health.Therefore,it is necessary to detect CAP residues in animal sourced food effectively.Here,the superiority(better stability,higher Apt-CAP lo...Abuse of chloramphenicol(CAP)could cause serious side effects to human health.Therefore,it is necessary to detect CAP residues in animal sourced food effectively.Here,the superiority(better stability,higher Apt-CAP loading efficiency,and higher CAP binding associated conformational change,etc.)of tetrahedral structure to double-chained structure for developing aptasensor was evaluated.Then,a self-assembled DNA tetrahedral structure-based electrochemical aptasensor targeting CAP was developed.Under the optimized conditions,the aptasensor exhibited high sensitivity toward CAP with a limit of detection(LOD)of 0.0676 ng/m L(linear range 0.19-387.76 ng/m L),and high selectivity against the structural analogs of CAP.Moreover,the recovery rate of CAP from spiked milk samples ranged from 100.57%to 101.69%,and only USD 1.34 is needed for detecting CAP in 1 sample.These results suggested the application potential of this aptasesor for detecting CAP in animal sourced foods.展开更多
文摘Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6.
基金Supported by the Science and Technology Cooperation and Exchange special project of Cooperation of Shanxi Province(202404041101014)the Fundamental Research Program of Shanxi Province(202403021212333)+3 种基金the Joint Funds of the National Natural Science Foundation of China(U24A20555)the Lvliang Key R&D of University-Local Cooperation(2023XDHZ10)the Initiation Fund for Doctoral Research of Taiyuan University of Science and Technology(20242026)the Outstanding Doctor Funding Award of Shanxi Province(20242080).
文摘To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content in coal)catalysts were prepared by the incipient wetness impregnation method,followed by acid washing to remove calcium-containing minerals.Comprehensive characterization and low-temperature denitrification tests revealed that calcite-induced structural modulation of coal-derived AC significantly enhances catalytic activity.Specifically,NO conversion increased from 88.3%of Mn-Ce/De-AC to 91.7%of Mn-Ce/De-AC-1CaCO_(3)(210℃).The improved SCR denitrification activity results from the enhancement of physicochemical properties including higher Mn^(4+)content and Ce^(4+)/Ce^(3+)ratio,an abundance of chemisorbed oxygen and acidic sites,which could strengthen the SCR reaction pathways(richer NH_(3)activated species and bidentate nitrate active species).Therefore,NO removal is enhanced.
文摘Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2)O(1)was synthesized as a 2D structure using Coas the metal source,methanol‑water(4∶6,V/V)as the solvent,and specific concentrations of 2,5‑furandicarboxylic acid(H_(2)FDCA)and 1,3,5‑triimidazole benzene(L).Adjusting to pure water and lowering the concentration of L yielded the 1D chain structure of[Co(HL)2(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(2).Using Cu(Ⅱ)as the metal source,methanol/water(9∶1,V/V)as the solvent,and specific concentrations of L and H2FDCA,the 1D chain structure of[Cu(L)(FDCA)(H_(2)O)]·2H_(2)O(3)was synthesized.Upon increasing the concentrations of L and H2FDCA,and switching the solvent to pure water,the 1D chain structure of[Cu(HL)_(2)(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(4)was obtained.This shows that changing the solvent and ligand concentrations can affect the structural changes of CPs.In addition,the solid‑state photoluminescence of CPs 1‑4 at room temperature was studied,and their morphological changes were observed via scanning electron microscopy.Density functional theory calculations revealed that the negative charge concentrates on the O and N atoms of the ligand,facilitating ligand‑metal ion coordination.CCDC:2403934,1;2403935,2;2403936,3;2403938,4.
基金Supported by the National Key Research and Development Program of Traditional Chinese Medicine Modernization Project,China(No.2023YFC3504000)the Science and Technology Development Project of Jilin Province,China(No.20240404043ZP)the Science and Technology Innovation Cooperation Project of Changchun Science and Technology Bureau and Chinese Academy of Sciences,China(No.23SH14)。
文摘In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented product FGPA-G 2-H on Aβ25-35-induced PC 12 cells were explored.The structure of GPA-G 2-H was determined by means of zeta potential analysis,FTIR,HPLC,XRD,GC-MS and NMR.The backbone of GPA-G 2-H was mainly composed of→4)-α-D-Glcp-(1→with branches substituted at O-3.Notably,GPA-G 2-H was degraded by intestinal microbiota in vitro with total sugar content and pH value decreasing,and short-chain fatty acids(SCFAs)increasing.Moreover,GPA-G 2-H significantly promoted the proliferation of Lactobacillus,Muribaculaceae and Weissella,thereby making positive alterations in intestinal microbiota composition.Additionally,FGPA-G 2-H activated the Nrf 2/HO-1 signaling pathway,enhanced HO-1,NQO 1,SOD and GSH-Px,while inhabited Keap 1,MDA and LDH,which alleviated Aβ-induced oxidative stress in PC 12 cells.These provide a solid theoretical basis for the further development of ginseng polysaccharides as functional food and antioxidant drugs.
文摘Anchovies are key forage species in coastal and pelagic food webs,playing crucial ecological and commercial roles in marine ecosystems.Encrasicholina punctifer is a commercially and ecologically important species,yet little is known about its osteological development characteristics.Understanding these ontogenetic patterns is essential for explaining phylogenetic relationships within Clupeiformes,informing larval identification in ichthyoplankton surveys,and enhancing aquaculture practices.This study describes the ontogenetic characteristics of the appendicular and median skeletons and fin supports in E.punctifer larvae and juveniles,providing quantitative ontogenetic timelines to address gaps in engraulid developmental biology and contribute to teleost ontogeny research.Larval and juvenile specimens of E.punctifer;size range:3.00-34.56 mm standard length(SL)and notochord length(NL)collected from the Philippine Sea were processed using the standard Alizarin red and Alcian blue clearing-and-staining technique to differentiate ossified and cartilaginous elements.Specimens were examined under a stereo microscope and imaged with an HTC1600ISP digital camera for detailed morphological analysis of skeletal structures.Caudal complex development was evident by 5.55 mm NL,with the initial appearance of cartilaginous hypurals 1–2 and parhypural,followed by Hy3–5 at 6.08 mm NL.Cartilaginous Hy6 was visible by 9.58 mm SL in postflexion larvae.Six hypural bones were present from the postflexion to juvenile stage.Principal fin rays formed via intramembranous ossification at 6.32 mm NL,and segmentation was evident by 10.24 mm SL.Neural arch 1 appeared at 7.38 mm NL,preceding full haemal arch development.Uroneurals 1–2 and ural centra ossified by 9.58 mm SL,with Hy5 detached from U1 at 10.24 mm SL.Preural centra ossified before the arches.Epurals 1 and 2 were evident by 10.24 mm SL.Dorsal fin proximal radials developed anteriorly and distal radials posteriorly.Pectoral fin development initiated with an ossified cleithrum and the coracoscapular cartilage at 5.25 mm NL.By 10.24 mm SL,cartilaginous neural and haemal arches and spines were distinct.Uroneural 1 initially develops as cartilage.The formation of a pleurostyle aligns with clupeoid fish skeletal ontogeny.Dorsal and anal fin development follows a distinctive pattern,with variability in fin support development.Our results reveal accelerated caudal complex formation in E.punctifer and contribute new knowledge on the osteological characteristics of the genus Encrasicholina,and aid in understanding larval and juvenile ontogeny of marine teleosts.
基金supported by the Khalifa University of Science and Technology internal grants(Nos.2021-CIRA-109,2020-CIRA-007,and 2020-CIRA-024).
文摘Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes.
基金supported by the National Key R&D Program of China(Grant No.2019YFC1509703)the Tianjin Science and Technology Program Project(Grant No.23YFYSHZ00130)。
文摘Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-energy rockfall protection remains limited due to their relatively low volumetric energy absorption efficiency and the complex fabrication processes of key energy-absorbing components.To address these limitations,this study proposes a novel sandwich structure incorporating mild steel tubes as core energy absorbers to efficiently mitigate highenergy rockfall impacts.A finite element model was developed in LS-DYNA to systematically investigate the deformation and energy absorption behaviors.Comprehensive parametric analyses were conducted to quantify the effects of key design variables,including tube wall thickness,tube spacing(number of tubes),and infill materials.The results demonstrate that increasing tube wall thickness significantly enhances ultimate energy absorption,with 12-mm-thick tubes absorbing 2.2 times more energy than 6-mm-thick tubes.Lateral constraints induced by adjacent tubes improve specific energy absorption per unit displacement by approximately 30%-45%.Furthermore,incorporating infill materials considerably enhances energy absorption,with aluminum foam infills achieving an 81%increase compared to empty tubes.Nevertheless,higher energy absorption capacity typically leads to greater peak impact forces,increasing the number of tubes offers a better balance between energy absorption and impact force,optimizing the structural performance.These findings provide valuable theoretical insights and practical guidelines for designing sandwich structures in civil and infrastructure engineering applications for effective rockfall protection.
基金supported by the National Natural Science Foundation of China(Grant Nos.12432005 and 12472116)the Fundamental Research Funds for the Central Universities(DUTZD25240).
文摘Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.
文摘Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted drug delivery.For implants,mechanical properties are key performance characteristics,so understanding the deformation and failure mechanisms is essential for selecting the appropriate implant structure.The deformation and fracture processes in PLA samples with different interior architectures have been studied through computer simulation and experimental research.Two TPMS topologies,the Schwarz Diamond and Gyroid architectures,were used for the sample construction by 3D printing.ANSYS software was utilized to simulate compressive deformation.It was found that under the same load,the vonMises stresses in the Gyroid structure are higher than those in the Schwartz Diamond structure,which was associated with the different orientations of the cells in the studied structures in relation to the direction of the loading axis.The deformation process occurs in the local regions of the studied TPMS structures.Maximum von Mises stresses were observed in the vertical parts of the structures oriented along the load direction.It was found that,unlike the Gyroid,the Schwartz Diamond structure contains a frame that forms unique stiffening ribs,which ensures the redistribution of the load under the vertical loading direction.An analysis of the mechanical characteristics of PLA samples with the Schwartz Diamond and Gyroid structures produced by the Fused Deposition Modeling(FDM)method was correlated with computer simulation.The Schwarz Diamond-type structure was shown to have a higher absorption energy than the Gyroid one.A study of the fracture in PLA samples with various cell sizes revealed a particular feature related to the samples’periodic surface topology and the 3D printing process.Scanning electron microscopic(SEM)studies of the samples deformed by compression showed thatwith an increase in the density of the samples,the failure mechanism changes from ductile to quasi-brittle due to the complex participation of both cell deformation and fiber deformation.
基金supported by the Science and Technology Project of the Department of Transportation of Heilongjiang Province(HJK2023B024-3)the National Key R&D Program of China(2023YFF1304001-01)。
文摘Soil fertility and forest structure influence tree carbon stocks.However,it remains unclear how tree mycorrhizal types affect these relationships.This study addressed the question of how aboveground and belowground tree carbon stocks in soils with different mycorrhizal types are affected by soil fertility and forest structure.Tree demographic data were used from a 21.12-ha study area collected over a ten-year period(2009-2019),covering 43species of woody plants and more than 50,000 individuals.Relationships between tree carbon stock,soil fertility and forest structure(stand density,diameter variation,species diversity and spatial distribution)were examined,as well as whether these relationships differed between arbuscular mycorrhiza and ectomycorrhizal mycorrhiza groups in a typical temperate conifer and broad-leaved mixed forest.We found that total tree carbon stock was positively impacted by variations in stand density and tree diameter but negatively influenced by soil fertility,tree species diversity and uniform angle index.Soil fertility promoted carbon stock of trees associated with arbuscular mycorrhiza(AM)but inhibited the carbon stock of trees with ectomycorrhizal mycorrhiza fungi(EcM).Carbon stock of AM trees was mainly influenced by soil fertility,while carbon stock of EcM trees was influenced by stand density.Our findings show that mycorrhizae types mediate the impact of stand structure and soil fertility on tree carbon stocks and provides new evidence on how forest tree carbon stocks may be enhanced based on the types of mycorrhizal associations.Tree species with different mycorrhizal types can be managed in different ways.
基金supported by the National Natural Science Foundation of China(No.12202295)the International(Regional)Cooperation and Exchange Projects of the National Natural Science Foundation of China(No.W2421002)+2 种基金the Sichuan Science and Technology Program(No.2025ZNSFSC0845)Zhejiang Provincial Natural Science Foundation of China(No.ZCLZ24A0201)the Fundamental Research Funds for the Provincial Universities of Zhejiang(No.GK249909299001-004)。
文摘Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structural rigidity and flexibility,ensuring material integrity during large deformations,and providing adequate load-bearing capacity and stability once deployed.Most research has focused on optimizing cutout size and shape,while topology optimization offers a broader design space.However,the anisotropic properties of woven composite laminates,complex failure criteria,and multi-performance optimization needs have limited the exploration of topology optimization in this field.This work derives the sensitivities of bending stiffness,critical buckling load,and the failure index of woven composite materials with respect to element density,and formulates both single-objective and multi-objective topology optimization models using a linear weighted aggregation approach.The developed method was integrated with the commercial finite element software ABAQUS via a Python script,allowing efficient application to cutout design in various DCTWS configurations to maximize bending stiffness and critical buckling load under material failure constraints.Optimization of a classical tubular hinge resulted in improvements of 107.7%in bending stiffness and 420.5%in critical buckling load compared to level-set topology optimization results reported in the literature,validating the effectiveness of the approach.To facilitate future research and encourage the broader adoption of topology optimization techniques in DCTWS design,the source code for this work is made publicly available via a Git Hub link:https://github.com/jinhao-ok1/Topo-for-DCTWS.git.
基金Project supported by the National Natural Science Foundation of China(Nos.52405095,12272089,and 92360305)the Guangdong Basic and Applied Basic Research Foundation of China(No.2023A1515110557)+4 种基金the Natural Science Foundation of Liaoning Province of China(No.2023-BSBA-102)the Open Fund of National Key Laboratory of Particle Transport and Separation Technology of China(No.WZKF-2024-6)the Open Project of Guangxi Key Laboratory of Automobile Components and Vehicle Technology of China(Nos.2024GKLACVTKF07 and 2024GKLACVTKF06)the Basic Research Projects of Liaoning Provincial Department of Education of China(No.JYTQN2023162)the Fundamental Research Funds for the Central Universities of China(No.N2403022)。
文摘The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometric distortions, leading to a diminution in the predictive accuracy of the distorted similitude. To address this challenge, this study formulates a novel set of scaling laws, tailored to account for the intricate geometric distortions associated with elastic rings. The proposed scaling laws are formulated based on the intrinsic deformation characteristics of elastic rings, rather than the traditional systemic governing equations. Numerical and experimental cases are conducted to assess the efficacy and precision of the proposed scaling laws, and the obtained results are compared with those achieved by traditional methods. The outcomes demonstrate that the scaling laws put forth by this study significantly enhance the predictive capabilities for deformations of elastic rings.
基金supported by the National Key Research and Development Program of China(2024YFA1612900)the National Natural Science Foundation of China(Grant No.52103365 and No.12375270)the Guangdong Innovative and Entrepreneurial Research Team Program,China(Grant No.2021ZT09L227).
文摘Fine-grained nuclear graphite is a key material in high-temperature gas-cooled reactors(HTGRs).During air ingress accidents,core graphite components undergo severe oxidation,threatening structural integrity.Therefore,understanding the oxidation behavior of nuclear graphite is essential for reactor safety.The influence of oxidation involves multiple factors,including temperature,sample size,oxidant,impurities,filler type and size,etc.The size of the filler particles plays a crucial role in this study.Five ultrafine-and superfine-grained nuclear graphite samples(5.9-34.4μm)are manufactured using identical raw materials and manufacturing processes.Isothermal oxidation tests conducted at 650℃-750℃ are used to study the oxidation behavior.Additionally,comprehensive characterization is performed to analyze the crystal structure,surface morphology,and nanoscale to microscale pore structure of the samples.Results indicate that oxidation behavior cannot be predicted solely based on filler grain size.Reactive site concentration,characterized by active surface area,dominates the chemical reaction kinetics,whereas pore tortuosity,quantified by the structural parameterΨ,plays a key role in regulating oxidant diffusion.These findings clarify the dual role of microstructure in oxidation mechanisms and establish a theoretical and experimental basis for the design of high-performance nuclear graphite capable of long-term service in high-temperature gas-cooled reactors.
基金supported by the Research Project on Strengthening the Construction of an Important Ecological Security Barrier in Northern China by Higher Education Institutions in the Inner Mongolia Autonomous Region(STAQZX202313)the Inner Mongolia Autonomous Region Education Science‘14th Five-Year Plan’2024 Annual Research Project(NGJGH2024635).
文摘Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.
基金supported by the Korea Institute for Advancement of Technology (KIAT)the Ministry of Trade,Industry&Energy (MOTIE) of the Republic of Korea (No. P0022130)by the Institute of Information&Communications Technology Planning&Evaluation(IITP)-Innovative Human Resource Development for Local Intellectualization program grant funded by the Korea government (MSIT)(IITP-2025-RS-2023-00259678)
文摘To realize the practical application of anion exchange membrane water electrolysis(AEMWE),it is essential to develop highly active,durable,and cost-effective electrocatalyst for oxygen evolution reaction(OER).Herein,we report a hollow-structured Ni_(x)Co_(1−x)O/Ni_(3)S_(2)/Co_(9)S_(8)heterostructure synthesized via sequential template-assisted growth,thermal oxidation,and controlled sulfidation process.The abundant bimetallic heterointerfaces not only provide additional active sites but also promote electronic modulation via charge redistribution.Additionally,the porous and hollow architecture enhances active surface area and mass transfer ability,thereby increasing the number of accessible active sites for alkaline OER.As a result,the prepared electrocatalyst achieves low overpotential of 310 mV at 10 mA cm^(−2)and small Tafel slope of 55.94 mV dec^(−1),demonstrating the exceptional electrocatalytic performance for alkaline OER.When integrated as the anode in an AEMWE cell,it delivers outstanding performance with only 1.657 V at 1.0 A cm^(−2)and reaches high current density of 5.0 A cm^(−2)at 1.989 V,surpassing those of commercial RuO_(2).The cell also shows excellent long-term durability over 100 h with minimal degradation.This study highlights the strong potential of rationally engineered oxide/sulfide heterostructures for next-generation alkaline water electrolysis.
基金sponsored by the National Natural Science Foundation of China(Grant No.42202205)Natural Science Foundation of Shandong Province,China(Grant No.ZR2021QD072).-。
文摘The vertical heterogeneity of the pore structure in deep coal seams with varying ash yields is a key control for coalbed methane storage and producibility;however,its specific impact on gas adsorption is not clearly defined.The focus of this study is the No.8 coal seam of the Carboniferous Benxi Formation in the Central-Eastern Ordos Basin.By integrating microscopic identification,proximate analysis,gas adsorption(CO_(2),N_(2),and CH_(4)),and the multifractal theory,we quantitatively characterized the nanopore structure(micropores<2 nm and mesopores 2 nm-100 nm)of coal reservoirs with varying ash yields.The results indicate that(1)ash yield is the primary factor that controls the vertical evolution of pore structures in coal seams.In low-ash yield coal seams,the extent of thermal evolution and ash yield jointly constrain the heterogeneity of pore size distribution.In mediumto high-ash yield coal seams,the heterogeneity of pore structure and pore size distribution are predominantly constrained by ash yield.(2)As the ash yield vertically increases,the mesoporous pore volume and specific surface area initially decrease and subsequently increase,while the contribution of micropores to both pore volume and specific surface area continuously diminishes.Consequently,the total pore volume and specific surface area of the coal samples exhibit a two-stage reduction close to an ash yield threshold of approximately 20%.(3)Further,the Langmuir volume for CH_(4)adsorption sharply declines below the 20%threshold,followed by a gradual decrease;in contrast,the Langmuir pressure initially decreases and subsequently increases.Hence,the vertical increase in ash yield constrains the development of pore systems and diminishes pore connectivity,thereby reducing methane adsorption capacity and adversely affecting coalbed methane productivity.(4)Low-ash yield coal reservoirs are characterized by a rapid gas breakthrough and high productivity,whereas medium-ash yield coal reservoirs generally require prolonged depressurization to achieve peak gas production.These findings reveal that in medium-high rank coal,ash yield―and not thermal evolution―is the main factor that controls vertical pore evolution and methane adsorption efficiency.The quantitative ash yield threshold(20%)established in this study provides a practical criterion for evaluating reservoir quality and predicting vertical variations in gas storage potential in the Ordos Basin.
基金supported by the National Natural Science Foundation of China(Nos.W2412093 and 52170068)the Fundamental Research Funds for the Central Universities(No.DUT24RC(3)079).
文摘Peroxymonosulfate(PMS)-based advanced oxidation technology has been proven to be a viable option for the decontamination of organic pollutants from water bodies.Advanced catalyst design is essential to this technology.Herein,a vanadium-doped LaFeO_(3) perovskite(LFO-V)featuring asymmetric Fe-O-V sites was rationally designed.Thanks to orbital electron interaction between Fe and V atoms,the modified electronic structure elevated electron density near the Fermi energy level while reducing the energy barrier toward effective PMS activation.This facilitated concurrent PMS reduction at the Fe sites to generate SO_(4)^(·-)and·OH(57.7%),and PMS oxidation at V sites to produce ^(1)O_(2)(42.3%).The LFO-V/PMS system demonstrated excellent tetracycline(TC)degradation performance with a 2-fold enhancement in rate constant compared to that of pristine LFO.Further,the LFO-V maintained long-term stability,and the toxicity of degradation intermediates was evaluated through microbial metabolomics.This work establishes an effective route to regulate the PMS activation pathways through precise electronic structure modulation,advancing the rational design of advanced Fenton-like catalysts.
基金supported by the National Natural Science Foundation of China(22177011(R.Z.Qiao),21977012(R.Z.Qiao),and 21572018(C.Li))the National High-Level Hospital Clinical Research Funding(2023-NHLHCRF-YXHZ-ZRMS-02)the Joint Project of BRCBC(Biomedical Translational Engineering Research Center of BUCT-CJFH)(XK2020-06).
文摘4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial scale.However,due to the formation of regioisomeric impurities during bromination and the low melting point of BMP,the separation process is prone to the formation of oily substances,resulting in low yield and purity.In this work,a new cocrystallization engineering approach was proposed to separate and purify BMP.Through design of experiments,the cocrystallization process of BMP and triethylenediamine(DABCO)was optimized using a minimum-run resolution IV screening design combined with response surface methodology.In addition,the obtained 2BMP-DABCO powder was characterized by thermal analysis,powder X-ray diffraction,infrared spectroscopy,and scanning electron microscopy.Single crystals of 2BMP-DABCO were grown from acetone by slow evaporation,and detailed structural information was obtained through single-crystal X-ray diffraction.The self-assembly mechanism was further clarified by density functional theory calculations.This study provides a simple,robust,and scalable method for the production of BMP and offers a reference for the separation and purification of phenolic substances.
基金supported by the National Nature Science Foundation of China(82174531)the Medicine and Health Science Technology Development Project of Shandong Province,China(202212060626).
文摘Abuse of chloramphenicol(CAP)could cause serious side effects to human health.Therefore,it is necessary to detect CAP residues in animal sourced food effectively.Here,the superiority(better stability,higher Apt-CAP loading efficiency,and higher CAP binding associated conformational change,etc.)of tetrahedral structure to double-chained structure for developing aptasensor was evaluated.Then,a self-assembled DNA tetrahedral structure-based electrochemical aptasensor targeting CAP was developed.Under the optimized conditions,the aptasensor exhibited high sensitivity toward CAP with a limit of detection(LOD)of 0.0676 ng/m L(linear range 0.19-387.76 ng/m L),and high selectivity against the structural analogs of CAP.Moreover,the recovery rate of CAP from spiked milk samples ranged from 100.57%to 101.69%,and only USD 1.34 is needed for detecting CAP in 1 sample.These results suggested the application potential of this aptasesor for detecting CAP in animal sourced foods.
