The dust cycle is a crucial component of the present-day Martian climate system.This study examines its multitimescale variability using an optimized 50-year simulation with the fully interactive scheme from the Globa...The dust cycle is a crucial component of the present-day Martian climate system.This study examines its multitimescale variability using an optimized 50-year simulation with the fully interactive scheme from the Global Open Planetary Atmospheric Model for Mars(GoMars),a newly developed Mars General Circulation Model(MGCM).GoMars is able to reproduce the diurnal,seasonal,and interannual characteristics of the dust cycle in several key aspects,with high repeatability in diurnal and seasonal variations during non-global dust storm(non-GDS)years.The model’s“climatology”(non-GDS years ensemble mean)captures the seasonal pattern and magnitude of the vertical–meridional dust distribution,validated against Mars Climate Database and Mars Climate Sounder observations.In the absence of direct observations,the GoMars-simulated near-surface wind stress lifting flux is evaluated through comparisons with other MGCMs(e.g.,MarsWRF),revealing consistent seasonal and spatial patterns.As for the diurnal cycle,the peak dust devil lifting flux occurs at 1200–1300 local time,matching the Mars Pathfinder measurements.The model also successfully captures the intense dust devil activity in Amazonis,a region identified as a major dust devil hotspot based on observational data.In GDS years,GoMars effectively reproduces spontaneous GDSs,capturing their observed onset times,locations,and dust transport patterns as exhibited in specific Martian years.The model also simulates significant interannual variability,with irregular GDS intervals along with reasonable dust–atmosphere interactions.展开更多
Accurate modelling of confined fluid transport requires addressing the fluid-fluid and fluid-surface interactions across multiple scales,particularly when molecular sizes are comparable to the fluid mean free path and...Accurate modelling of confined fluid transport requires addressing the fluid-fluid and fluid-surface interactions across multiple scales,particularly when molecular sizes are comparable to the fluid mean free path and the confinement dimension.Advances in nanotechnology have sparked tremendous interest in the combined effects of non-equilibrium,real-fluid properties,and confinement on multiscale flows,where the Knudsen number or confinement dimension can vary widely.This review discusses molecular kinetic modelling approaches for:(1)fluid density ranging from dilute,where non-equilibrium effects dominate,to dense,where real fluid effects become critical;(2)flow domains ranging from macroscale to nanoscale,necessitating confinement-specific treatments;(3)fluid-surface interactions at various densities and confinements.The pronounced non-equilibrium and confinement effects introduce both intrinsic and apparent non-hydrodynamic effects,which require careful consideration in developing a molecular kinetic model.展开更多
The characterization of drug-target interactions is a key component of drug discovery,testing,and development.Affinity chromatography is one approach that can be used for this type of analysis.For instance,this may be...The characterization of drug-target interactions is a key component of drug discovery,testing,and development.Affinity chromatography is one approach that can be used for this type of analysis.For instance,this may be done by using an immobilized target as a stationary phase and a drug as the applied solute.This review will discuss the various ways in which affinity chromatographic methods have been used to examine drug-target interactions,with an emphasis on high-performance methods.The general principles of this approach and factors to consider in its use for drug-target interaction analysis will first be examined.Methods based on zonal elution or frontal analysis for binding and competition studies will then be discussed.Various techniques for kinetic studies will next be considered,along with approaches that employ secondary binding agents and hybrid techniques.In each case,the general principles and theory of an approach will be given along with examples of its use in drug-target interaction studies.Advantages or limitations of each approach will be provided as well.This information should make it possible in the future to extend these techniques to other drug-target systems of interest in biomedical research and drug testing or development.展开更多
Electrocatalysis stands as a cornerstone in the pursuit of clean energy conversion and environmental sustainability,with single-atom catalysts(SACs)emerging as a transformative paradigm for enhancing electrocatalytic ...Electrocatalysis stands as a cornerstone in the pursuit of clean energy conversion and environmental sustainability,with single-atom catalysts(SACs)emerging as a transformative paradigm for enhancing electrocatalytic efficiency.In the architectural design of SACs,supports transcend conventional roles as mere supports,actively governing catalytic performance via robust metal-support interactions(SMSI).This review comprehensively analyses the key role of support engineering in modulating SACs performance.The study begins with a systematic assessment of currently popular SACs synthesis strategies,critically comparing their advantages and limitations.Through a hierarchical analysis,it reveals the impact of various support materials,such as carbon-based materials,metal oxides,MXenes,and metal-organic frameworks(MOFs),on the catalytic performance of SACs,with emphasis on their structural characteristics,electronic properties,and interaction mechanisms with active sites.The review further explores applications in energy conversion/storage and environmental remediation,while addressing current challenges and proposing future research directions for SACs development.By providing actionable insights,this work aims to guide the design of next-generation SACs and advance sustainable electrocatalysis.展开更多
Carbon dioxide capture and storage (ccs) is an important technological path for realizing "carbon neutrality," where carbon capture is one of the three key CcS technologies. At present, mature carbon capture...Carbon dioxide capture and storage (ccs) is an important technological path for realizing "carbon neutrality," where carbon capture is one of the three key CcS technologies. At present, mature carbon capture technologies still have technical shortcomings and difficulties, such as low capture efficiency and high energy consumption, which limit their large-scale popularization and application. In this study, a solid liquid phase change absorbent (PCA) system with isophorone diamine (IPDA) as the only carbon dioxide (CO2) capture carrier and ketone-based organic molecules as the phase change medium was developed.The solid-liquid PCA system has a wide range of applicability,with highly efficient CO2 capture (1.11 mol·mol-1) at concentrations ranging from typical values in air to those in coal-fired industrial emissions (400 to 150000 ppm) and low-energy consumption regeneration, as revealed by a two-phase integrated engineering model. The CO2 absorption product IPDA(NHCOO-)2 was characterized by materials science analysis, molecular dynamics (MD) calculations, and quantum chemistry. The results indicate that in noncyclic ketone-based phase-change media, the hydrogen bonding in IPDA(NHCOO-)2 is modulated by noncovalent bond interaction (NCI) forces to form a small-scale hydrogen-bonding network. These properties ensure that the product can be easily regenerated by low-temperature thermal treatment (333 K,60℃), and characterization and calculations revealed a reaction mechanism different from that of the aqueous system. The technoeconomic evaluation (TEA) results show that this type of ketone-based PCA has an obvious low-cost advantage over traditional carbon capture technologies. This study provides a new perspective on the application and practical feasibility of PCAs for direct air capture of carbon dioxide.展开更多
AB2-type Ti-based hydrogen storage alloys(HSAs)are promising for industrial hydrogen feeding systems due to their moderate operating conditions and high hydrogen storage capacity.However,their practical application...AB2-type Ti-based hydrogen storage alloys(HSAs)are promising for industrial hydrogen feeding systems due to their moderate operating conditions and high hydrogen storage capacity.However,their practical application is hindered by unavoidable impurity gases in hydrogen feedstocks,which significantly impair the performance of HSAs.Furthermore,the absence of clear evaluation criteria for poisoning behaviors and mechanisms hinders efforts to develop effective mitigation strategies.To address this gap,we used calculated surface interaction energy changes(ΔE)and experimental investigations to classify and rank the poisoning potential of impurity gases on a C14 Laves-phase Ti0.86Zr0.15Mn1.5Cr0.07(VFe)0.43 alloy.Impurity gases were classified into two types of weak-adsorption and strong-adsorption impurity gases by comparing theirΔE with that of H2(ΔE_(H2)=-1.6001 eV).AsΔE>ΔE_(H2) ,weak-adsorption impurity gases(Ar,He,CH4,and N2)induce poisoning by forming enriched blocking layers that impede H2 diffusion.This blocking effect can be alleviated under gas flow conditions.AsΔE<ΔE_(H2),strong adsorption gases are further divided into two types based on their reactivity with the alloy.Non-reactive strong-adsorption impurity gases(CO and CO2 )preferentially occupy surface active sites,blocking H2 adsorption and dissociation.In contrast,reactive strong-adsorption impurity gases(such as O2)form dense passivation layers that completely prevent hydrogen ingress.Accordingly,surface modification offers an effective approach to mitigate gas-induced poisoning by altering the interaction mechanism.This study establishes the parameter-based criteria for classifying impurity gas poisoning mechanisms in AB2-type Ti-based HSAs.It provides fundamental insights for guiding the design of poisoning-resistant materials and the development of mitigation strategies.展开更多
Peridynamics(PD),which underpins many meshfree methods,has found widespread applications in fracture mechanics.However,its accuracy in simulating shear behavior remains limited,particularly for mixed-mode fracture pro...Peridynamics(PD),which underpins many meshfree methods,has found widespread applications in fracture mechanics.However,its accuracy in simulating shear behavior remains limited,particularly for mixed-mode fracture problems.To address this,we propose a modified formulation of ordinary state-based PD(OSPD)that incorporates bond rotation behavior,including shear deformation and rigid body rotation(RBR).Using the peridynamic differential operator,the stress-free RBR component is identified and removed from the total displacement.The enhanced formulation is validated through classical benchmark problems,with stress intensity factors evaluated using the interaction integral method.Numerical results demonstrate excellent agreement with reference solutions from the literature and the original OSPD model,confirming the improved accuracy of the modified OSPD model.Notably,the modified model exhibits superior performance in simulating shear deformation,establishing its reliability in mixed-mode fracture analysis.展开更多
Affinity selection mass spectrometry(AS-MS)has emerged as a powerful label-free technique for identifying and characterizing ligand-target interactions.This review explores the diverse applications of AS-MS in drug di...Affinity selection mass spectrometry(AS-MS)has emerged as a powerful label-free technique for identifying and characterizing ligand-target interactions.This review explores the diverse applications of AS-MS in drug discovery,including its role in selective screening,binding site characterization,and quantitative affinity determination.We discuss the use of AS-MS for determining equilibrium dissociation constants(KD)and competitive binding parameters(affinity competition experiment 50%(ACE50)),highlighting its ability to rank ligand affinities efficiently.The review also examines AS-MS applications in fragment-based drug discovery(FBDD),screening for molecular glues,and investigating interactions with membrane proteins.Moreover,we address key technical challenges,including competitive binding effects,protein stability,and ligand dissociation kinetics,along with recent advancements in automation and artificial intelligence(AI)integration.Rather than providing a comprehensive literature review,this work aims to broaden the applicability of AS-MS assays and encourage researchers to explore its use in underutilized contexts.By providing rapid and high-sensitivity affinity measurements,AS-MS continues to expand its role in drug discovery and structural biology,complementing conventional biophysical techniques.展开更多
As a multidisciplinary phenomenon,panel aeroelasticity in shock-dominated flow is featured by two primary interactions:Fluid-Structure Interactions(FSIs)and Shock-Boundary Layer Interactions(SBLIs).The former raises s...As a multidisciplinary phenomenon,panel aeroelasticity in shock-dominated flow is featured by two primary interactions:Fluid-Structure Interactions(FSIs)and Shock-Boundary Layer Interactions(SBLIs).The former raises structural concerns,and the latter is of aerodynamic interest.Thus,panel aeroelasticity in shock-dominated flow represents a vital topic for the development and optimization of supersonic vehicles and propulsion systems.This review systematically summarizes recent advances in the methodologies applied to capture structural and fluid dynamics,including theoretical models,numerical simulations,and wind tunnel experiments.The application of data-driven modal decomposition,an advanced technique to extract physically crucial features,on the topic is introduced.From the perspective of FSIs,the distinctive aeroelastic behaviors in shock-dominated flow,including hysteresis phenomena and nonlinear responses,are highlighted.From the perspective of SBLIs,the modifications in their spatial and temporal characteristics imposed by the aeroelastic responses are emphasized.Motivated by the interaction between the shock waves and structural response,different strategies have been proposed to implement aeroelastic suppression and shock control,which have the potential to enhance structural safety and aerodynamic performance in the next generation of high-speed flight vehicles.展开更多
Considering the CRTS-II track slab,which is commonly used in the Chinese high-speed railway system,a vehicle-track-bridge dynamic analysis method is proposed in which the vehicle subsystem equations are established by...Considering the CRTS-II track slab,which is commonly used in the Chinese high-speed railway system,a vehicle-track-bridge dynamic analysis method is proposed in which the vehicle subsystem equations are established by the rigid body dynamics method,the track subsystem and the bridge subsystem equations are established by the FEM,the wheel-rail contact relation is defined by the corresponding assumption in vertical direction and the Kalker linear creep theory in lateral direction.The in-span spring element is derived to model the track-bridge interaction;the equal-band-width storage is adopted to fit the track structure with multilayer uniform section beam;and the dynamic equilibrium equations are solved by the inter-history iteration method.As a case study,the response of a CRH2 high-speed train transverses a simply-supported bridge with successive 31.5m double bound pre-stress beams is simulated.The result shows that using the vehicle-track-bridge interaction model instead of the vehicle-bridge interaction model helps predict the rotation angle at beam ends and choose an economic beam vertical stiffness.展开更多
Structure-ice interaction problems have attracted increasing attention,yet accurately predicting the loads exerted by sea ice on ship hulls remains a significant challenge.Over the past few decades,various numerical m...Structure-ice interaction problems have attracted increasing attention,yet accurately predicting the loads exerted by sea ice on ship hulls remains a significant challenge.Over the past few decades,various numerical methods have been employed to simulate ice resistance on ships and evaluate their manoeuvrability during ice-structure interaction.Among these approaches,the circumferential crack method has demonstrated both high efficiency and accuracy.This paper provides a detailed introduction to the fundamental theory of this method,including the numerical modeling of different failure modes and the dynamic ice motion responses.Furthermore,it reviews existing studies on predicting ice resistance and assessing the manoeuvrability of icebreakers navigating through ice-covered regions using the circumferential crack method.Several recommendations for future research in this field are also presented.展开更多
Research in human‑robot Interaction(HRI)has increasingly demonstrated how Augmented Reality(AR)enables better interactions between humans and robots.However,the design of HRI remains less understood.Through a systemat...Research in human‑robot Interaction(HRI)has increasingly demonstrated how Augmented Reality(AR)enables better interactions between humans and robots.However,the design of HRI remains less understood.Through a systematic literature review of 53 related papers,this research provides an overview of the emerging applications and trends for AR and identifies three types of AR interfaces as follows:1)remote modular interface,2)proximal modular interface,and 3)proximal integral interface.The review indicates potential future directions of construction‑oriented and human‑centric interaction design studies,leading to four pairs of subsystems,which are frequently modularised or integrated,and three conceptual frameworks for HRI interfaces are proposed.Moreover,this research contributes to the theoretical exploration of interaction design.Future applications can adapt to various tasks by using the proposed three conceptual frameworks for interfaces,as well as combining the four proposed subsystem pairs to suit specific task requirements in the construction sector.展开更多
As a common electronic adhesive,ultraviolet(UV)curing polyurethane acrylate adhesive has both flexibility and wear resistance of polyurethane,excellent weather resistance and optical properties of acrylate.Despite the...As a common electronic adhesive,ultraviolet(UV)curing polyurethane acrylate adhesive has both flexibility and wear resistance of polyurethane,excellent weather resistance and optical properties of acrylate.Despite the extensive applications,it is still difficult to solve the problems caused by the shrinkage of adhesive.Here,a new type of photosensitive adhesive for bonding electronic components based on supramolecular interaction was designed and synthesized.The supramolecular interaction of cyclodextrin and adamantane moieties introduced into the adhesive polymer entitles the viscosity of the adhesive to rise rapidly during use,thereby preventing adhesive loss and dislocation of electronic components.UV light could further cure the adhesive and position the electronic components.The adhesive shrunk<2%when cured by UV light,so it can be used for electronic packaging and high-resolution,defect-free lithography.展开更多
This study aimed to gain insight into the interaction and metabolic mechanism between Aspergillus flavus U-16 and Saccharomyces cerevisiae HJ during co-fermentation.Despite the suppressed transcriptional activity of S...This study aimed to gain insight into the interaction and metabolic mechanism between Aspergillus flavus U-16 and Saccharomyces cerevisiae HJ during co-fermentation.Despite the suppressed transcriptional activity of SU-16,its metabolites exerted a pivotal regulatory influence.The metabolites produced by SU-16 significantly increased the ethanol content to 17.0%.They also significantly increased the contents of crucial flavor substances,including amino acids(at least 5 times)and esters(up to 1100 mg/L).SU-16 produced 130 metabolites that may affect flavor compounds,while HJ mainly controlled the synthesis of 161 compounds.Metabolites of SU-16 with different molecular weights were observed to exert differential regulatory effects on the fermentation process and the metabolic pathway of HJ.The small molecule metabolites of SU-16 promoted the growth of HJ significantly.In contrast,its macromolecular metabolites were found to mainly affect the expression of genes related to carbohydrate and amino acid metabolism in the HJ genome.展开更多
This study explores the competitive mechanisms of different types of microplastics(MPs)on pentavalent arsenic(As(Ⅴ))adsorption by magnetic biochar-supported layered double hydroxide composite(MBC@LDH).The effects of ...This study explores the competitive mechanisms of different types of microplastics(MPs)on pentavalent arsenic(As(Ⅴ))adsorption by magnetic biochar-supported layered double hydroxide composite(MBC@LDH).The effects of the solution pH,ionic strength,temperature,material dosage,and MP concentration on As(Ⅴ)adsorption were investigated in co-existing MPs and MBC@LDH systems.Results revealed MPs competitively occupied As(Ⅴ)adsorption sites on MBC@LDH,with varying inhibition efficiencies:polyvinyl chloride(PVC)provided 45.44%of the competitive adsorption,representing a significant reduction in adsorption affinity especially in acidic environments and higher ionic strength.The reduced percentage of adsorption capacity of MBC@LDH for As(Ⅴ)induced by polystyrene(PS)was 35.55%,and that for polyethylene(PE)was also just between PVC and PS,especially in acidic environments and higher ionic strength.Further exploration manifested that the presence of MPs decreased the crystallinity of the CaMgAl LDH in MBC@LDH,which disrupted the surface complexation and hydrogen bonding between MBC-LDH and As.In addition,the strengths of the As–O bonds in MBC@LDH were more significantly reduced by PVC with its entering into the binary system rather than PS and PE,which was ascribable to the strong negative charge and hydrophobic separation properties of PVC.Interestingly,PVC promoted the conversion of As(Ⅴ)to As(Ⅲ)on MBC@LDH but not when PE and PS were added,which might be related to the surface chemical bonding and polarity of the different MPs.This study provides a theoretical reference for MPs'competitive adsorption mechanisms of As on porous materials in aqueous environments.展开更多
Biomolecular self-assembly systems form the cornerstone of biological structures,in which the interactions between carbohydrates and proteins play a crucial role in many life processes.This has driven the development ...Biomolecular self-assembly systems form the cornerstone of biological structures,in which the interactions between carbohydrates and proteins play a crucial role in many life processes.This has driven the development of biomimetic carbohydrate-protein supramolecular assemblies(BCPSAs),which show great potential in biomedical research.We successfully constructed a novel supramolecular hybrid nanocarrier with pH responsiveness and targeting capabilities based on specific interactions between carbohydrates and proteins.This system self-assembles into nanoparticles CA@MP5 in water through the specific binding of mannose clusters on glycosylated pillar[5]arene MP5 with lectin Con A.Additionally,through a host-guest assembly strategy with the synthesized β-D-galactopyranosyl pyridine derivative G,it complexes within the MP5 cavity to form a"double-sweet"supramolecular glyco-nanoprotein(CA@MP5⊃G).This system shows high affinity for the asialoglycoprotein receptor(ASGPR)on HepG2 liver cancer cells.In vitro,the doxorubicin(DOX)-loaded micelles(DCA@MP5⊃G)release drug effectively in acidic environments and significantly inhibit HepG2 cell growth,with reduced toxicity toward normal cells.In vivo,the nanocarrier targets tumors effectively,reducing systemic toxicity and inhibiting tumor growth.This study offers a novel construction strategy for drug delivery systems based on carbohydrate-protein interactions in anti-tumor applications,which is significant for enhancing therapeutic efficacy.展开更多
Schizophrenia(SCZ)is a severe mental illness influenced by gene-environment interactions(GEI).However,little is known about how GEI mediates SCZ.The present study aimed to examine the underlying mechanism of SCZ media...Schizophrenia(SCZ)is a severe mental illness influenced by gene-environment interactions(GEI).However,little is known about how GEI mediates SCZ.The present study aimed to examine the underlying mechanism of SCZ mediated by GEI.We found that a single environmental factor(two-week adolescent social isolation)or genetic factor(the heterozygous Rims1 knockout mice)did not induce SCZ-like behaviors.Interestingly,two-week adolescent social isolation successfully caused SCZ-like behaviors in heterozygous Rims1 knockout mice,which can be rescued by anti-SCZ drugs.RNA-seq analysis further revealed that synaptic vesicle-related biological processes and target genes were enriched in the hippocampus of GEI animal model mice,which was accompanied by disturbed excitatory synaptic neurotransmission.Finally,the Nrg1 gene was decreased in our RNA-seq analysis,and supplementation of Nrg1 ameliorated SCZ-like behaviors in heterozygous Rims1 socially isolated mice.Our findings establish a novel GEI animal model and offer a potential therapeutic target in the treatment of SCZ.展开更多
Moisture-enabled electricity generation technology offers a new paradigm for sustainable energy harvesting,but its practical applications are still limited by issues such as low output power and insufficient long-term...Moisture-enabled electricity generation technology offers a new paradigm for sustainable energy harvesting,but its practical applications are still limited by issues such as low output power and insufficient long-term stability.In this paper,an asymmetric sandwich-structured hydrogel moist-electric generator(SSHMEG)with an ion concentration gradient is designed and constructed.Through dynamic exchange with moisture in ambient humidity,a stable ion diffusion direction is established inside the device,thereby achieving durable and efficient moisture-enabled electricity generation performance.The SSHMEG achieves an open-circuit voltage as high as 1.15 V and a short-circuit current density of 2350μA cm-2 at 90%relative humidity(RH),along with excellent long-term stability(maintaining>1.05 V continuously for 20 days).Featuring high integrability to meet the output requirements of electronic devices,the SSHMEG is highly sensitive to humidity and internal resistance changes(e.g.,respiration and stretching),enabling its application as a self-powered respiration/strain sensor.Combined with deep learning,the strain sensor based on SSHMEG realizes gesture recognition with 100%accuracy.Through the collaborative innovation of the material-structure mechanism,this work paves a new path for the next-generation high-performance,multifunctional,and self-powered MEG systems.展开更多
Airborne microplastics(MPs)are prevalent indoors,and due to their low aerodynamic diameter,they can be inhaled,posing potential health risks.Although the toxic effects of airborne MPs have been explored using in vivo ...Airborne microplastics(MPs)are prevalent indoors,and due to their low aerodynamic diameter,they can be inhaled,posing potential health risks.Although the toxic effects of airborne MPs have been explored using in vivo and in vitro models,the interactions between MPs and cellular receptors remain understudied.In this research,dust samples from a confined space within an academic setting were investigated for microplastics(MPs)and their abundance.Further,the most prevalent microplastics were used to study receptor binding and competition interaction studies using the In-Silico method against natural agonists and antagonists of major inflammatory receptors,including the human platelet-activating factor receptor(PAFR),C-X-C motif chemokine receptor 1(CXCR1),β2-adrenergic receptor(β2-AR),and toll-like receptor 2(TLR-2).Results revealed that polyester(PE)was the predominant polymer,accounting for 23.96%of the samples.Analysis indicated that a monomer of PET,Ethylene Terephthalate(ET),exhibited a high binding affinity of-6.5 kcal/mol with the PAFR receptor.Additionally,the molecular dynamics and protein-ligand interaction study,which involves hydrogen bonding,explains the differential binding effect of ET and the control compound with the targeted receptor.The complex was formed between the ET and the receptors ofβ2-AR,CXCR1,and TLR-2,with a maximum of seven and a minimum of one hydrogen bond throughout the simulation.This research lays a foundation for understanding the potential health implications of MPs in confined office spaces,underscoring the need for further in vivo and in vitro examinations.展开更多
Significant diurnal temperature variations in mountainous rack railways cause stiffness mismatches between the rack structure and simply supported bridges,leading to critical failures like bolt loosening and rack frac...Significant diurnal temperature variations in mountainous rack railways cause stiffness mismatches between the rack structure and simply supported bridges,leading to critical failures like bolt loosening and rack fractures.This study develops a dynamic model of the vehicle-rack-bridge system based on train-track-bridge interaction theory,integrating gear-rack meshing and wheel-rail contact mechanisms.The model analyzes the dynamic response of bridges with varying spans under combined thermal and dynamic loading.Numerical simulations,conducted using finite element analysis,reveal peak vibration accelerations of 1.3 m/s2for the rack,3.0 m/s2for the rail,1.2 m/s2for the sleeper,and 0.1 m/s2for the bridge,with maximum stresses of 3 MPa in the rack,8 MPa in the rail,and 25 MPa in connecting bolts.The results show significant span-dependent amplification of stress and strain in the rack system under thermo-mechanical loading,exceeding material strength limits at 60-meter spans.An innovative elastic connection method is proposed to mitigate stress concentrations effectively,en-hancing system durability.This study introduces a novel approach to modeling complex thermo-mechanical interactions in rack railway systems,validated through extensive simulations,and provides a practical solution for improving structural resilience,offering theoretical guidance for optimizing rack-bridge system design to ensure operational safety in extreme environmental conditions.展开更多
基金jointly supported by the National Natural Science Foundation of China(Grant No.42475135)the Key Technology Research Project of TW-3(TW3006)the IAP’s basic scientific research project during the 14th Five-Year Plan Period.
摘要The dust cycle is a crucial component of the present-day Martian climate system.This study examines its multitimescale variability using an optimized 50-year simulation with the fully interactive scheme from the Global Open Planetary Atmospheric Model for Mars(GoMars),a newly developed Mars General Circulation Model(MGCM).GoMars is able to reproduce the diurnal,seasonal,and interannual characteristics of the dust cycle in several key aspects,with high repeatability in diurnal and seasonal variations during non-global dust storm(non-GDS)years.The model’s“climatology”(non-GDS years ensemble mean)captures the seasonal pattern and magnitude of the vertical–meridional dust distribution,validated against Mars Climate Database and Mars Climate Sounder observations.In the absence of direct observations,the GoMars-simulated near-surface wind stress lifting flux is evaluated through comparisons with other MGCMs(e.g.,MarsWRF),revealing consistent seasonal and spatial patterns.As for the diurnal cycle,the peak dust devil lifting flux occurs at 1200–1300 local time,matching the Mars Pathfinder measurements.The model also successfully captures the intense dust devil activity in Amazonis,a region identified as a major dust devil hotspot based on observational data.In GDS years,GoMars effectively reproduces spontaneous GDSs,capturing their observed onset times,locations,and dust transport patterns as exhibited in specific Martian years.The model also simulates significant interannual variability,with irregular GDS intervals along with reasonable dust–atmosphere interactions.
基金supported by the National Natural Science Foundation of China(Grant No.12472290)support given by the Alexander von Humboldt Foundation,Germany。
摘要Accurate modelling of confined fluid transport requires addressing the fluid-fluid and fluid-surface interactions across multiple scales,particularly when molecular sizes are comparable to the fluid mean free path and the confinement dimension.Advances in nanotechnology have sparked tremendous interest in the combined effects of non-equilibrium,real-fluid properties,and confinement on multiscale flows,where the Knudsen number or confinement dimension can vary widely.This review discusses molecular kinetic modelling approaches for:(1)fluid density ranging from dilute,where non-equilibrium effects dominate,to dense,where real fluid effects become critical;(2)flow domains ranging from macroscale to nanoscale,necessitating confinement-specific treatments;(3)fluid-surface interactions at various densities and confinements.The pronounced non-equilibrium and confinement effects introduce both intrinsic and apparent non-hydrodynamic effects,which require careful consideration in developing a molecular kinetic model.
基金supported,in part,by the National Science Foundation under grants CHE 2404209 and CHE 2320239.
摘要The characterization of drug-target interactions is a key component of drug discovery,testing,and development.Affinity chromatography is one approach that can be used for this type of analysis.For instance,this may be done by using an immobilized target as a stationary phase and a drug as the applied solute.This review will discuss the various ways in which affinity chromatographic methods have been used to examine drug-target interactions,with an emphasis on high-performance methods.The general principles of this approach and factors to consider in its use for drug-target interaction analysis will first be examined.Methods based on zonal elution or frontal analysis for binding and competition studies will then be discussed.Various techniques for kinetic studies will next be considered,along with approaches that employ secondary binding agents and hybrid techniques.In each case,the general principles and theory of an approach will be given along with examples of its use in drug-target interaction studies.Advantages or limitations of each approach will be provided as well.This information should make it possible in the future to extend these techniques to other drug-target systems of interest in biomedical research and drug testing or development.
基金financially supported by the Guangxi Natural Science Fund for Distinguished Young Scholars(No.2024GXNSFFA010008)the Special Fund for Science and Technology Development of Guangxi(No.AD25069078)the National Natural Science Foundation of China(No.22469002)。
摘要Electrocatalysis stands as a cornerstone in the pursuit of clean energy conversion and environmental sustainability,with single-atom catalysts(SACs)emerging as a transformative paradigm for enhancing electrocatalytic efficiency.In the architectural design of SACs,supports transcend conventional roles as mere supports,actively governing catalytic performance via robust metal-support interactions(SMSI).This review comprehensively analyses the key role of support engineering in modulating SACs performance.The study begins with a systematic assessment of currently popular SACs synthesis strategies,critically comparing their advantages and limitations.Through a hierarchical analysis,it reveals the impact of various support materials,such as carbon-based materials,metal oxides,MXenes,and metal-organic frameworks(MOFs),on the catalytic performance of SACs,with emphasis on their structural characteristics,electronic properties,and interaction mechanisms with active sites.The review further explores applications in energy conversion/storage and environmental remediation,while addressing current challenges and proposing future research directions for SACs development.By providing actionable insights,this work aims to guide the design of next-generation SACs and advance sustainable electrocatalysis.
基金supported by the Key Research and Development Projects of Shanghai Science and Technology Commission (20dz1204004)the Shanghai Science and Technology Innovation Action Plan (22dz1208800)the Key research and development projects of Shanghai Municipal Bureau of Ecology and Environment (202306)。
摘要Carbon dioxide capture and storage (ccs) is an important technological path for realizing "carbon neutrality," where carbon capture is one of the three key CcS technologies. At present, mature carbon capture technologies still have technical shortcomings and difficulties, such as low capture efficiency and high energy consumption, which limit their large-scale popularization and application. In this study, a solid liquid phase change absorbent (PCA) system with isophorone diamine (IPDA) as the only carbon dioxide (CO2) capture carrier and ketone-based organic molecules as the phase change medium was developed.The solid-liquid PCA system has a wide range of applicability,with highly efficient CO2 capture (1.11 mol·mol-1) at concentrations ranging from typical values in air to those in coal-fired industrial emissions (400 to 150000 ppm) and low-energy consumption regeneration, as revealed by a two-phase integrated engineering model. The CO2 absorption product IPDA(NHCOO-)2 was characterized by materials science analysis, molecular dynamics (MD) calculations, and quantum chemistry. The results indicate that in noncyclic ketone-based phase-change media, the hydrogen bonding in IPDA(NHCOO-)2 is modulated by noncovalent bond interaction (NCI) forces to form a small-scale hydrogen-bonding network. These properties ensure that the product can be easily regenerated by low-temperature thermal treatment (333 K,60℃), and characterization and calculations revealed a reaction mechanism different from that of the aqueous system. The technoeconomic evaluation (TEA) results show that this type of ketone-based PCA has an obvious low-cost advantage over traditional carbon capture technologies. This study provides a new perspective on the application and practical feasibility of PCAs for direct air capture of carbon dioxide.
基金financially supported by the National Key Research and Development Program of China(2022YFB4004302)the National Natural Science Foundation of China(U24A2044)the Guangxi Science and Technology Major Project(No.AA24206007)。
摘要AB2-type Ti-based hydrogen storage alloys(HSAs)are promising for industrial hydrogen feeding systems due to their moderate operating conditions and high hydrogen storage capacity.However,their practical application is hindered by unavoidable impurity gases in hydrogen feedstocks,which significantly impair the performance of HSAs.Furthermore,the absence of clear evaluation criteria for poisoning behaviors and mechanisms hinders efforts to develop effective mitigation strategies.To address this gap,we used calculated surface interaction energy changes(ΔE)and experimental investigations to classify and rank the poisoning potential of impurity gases on a C14 Laves-phase Ti0.86Zr0.15Mn1.5Cr0.07(VFe)0.43 alloy.Impurity gases were classified into two types of weak-adsorption and strong-adsorption impurity gases by comparing theirΔE with that of H2(ΔE_(H2)=-1.6001 eV).AsΔE>ΔE_(H2) ,weak-adsorption impurity gases(Ar,He,CH4,and N2)induce poisoning by forming enriched blocking layers that impede H2 diffusion.This blocking effect can be alleviated under gas flow conditions.AsΔE<ΔE_(H2),strong adsorption gases are further divided into two types based on their reactivity with the alloy.Non-reactive strong-adsorption impurity gases(CO and CO2 )preferentially occupy surface active sites,blocking H2 adsorption and dissociation.In contrast,reactive strong-adsorption impurity gases(such as O2)form dense passivation layers that completely prevent hydrogen ingress.Accordingly,surface modification offers an effective approach to mitigate gas-induced poisoning by altering the interaction mechanism.This study establishes the parameter-based criteria for classifying impurity gas poisoning mechanisms in AB2-type Ti-based HSAs.It provides fundamental insights for guiding the design of poisoning-resistant materials and the development of mitigation strategies.
基金Supported by the National Natural Science Foundation of China under Grant Nos.52192695,52192690。
摘要Peridynamics(PD),which underpins many meshfree methods,has found widespread applications in fracture mechanics.However,its accuracy in simulating shear behavior remains limited,particularly for mixed-mode fracture problems.To address this,we propose a modified formulation of ordinary state-based PD(OSPD)that incorporates bond rotation behavior,including shear deformation and rigid body rotation(RBR).Using the peridynamic differential operator,the stress-free RBR component is identified and removed from the total displacement.The enhanced formulation is validated through classical benchmark problems,with stress intensity factors evaluated using the interaction integral method.Numerical results demonstrate excellent agreement with reference solutions from the literature and the original OSPD model,confirming the improved accuracy of the modified OSPD model.Notably,the modified model exhibits superior performance in simulating shear deformation,establishing its reliability in mixed-mode fracture analysis.
基金Support of the State of Rio de Janeiro(FAPERJ),Brazil(Grant Nos.:E-26/210.017/2024,E-200.172/2023,E-26/200.165/2024,E-26/200.164/2024,and E-26/210.547/2025)the Coordination for the Improvement of Higher Education Personnel(CAPES),Brazil(Finance Code 001)National Council for Scientific and Technological Development(CNPq),Brazil(Grant Nos.:307108/2021-0 and 302464/2022-0)for their support.
摘要Affinity selection mass spectrometry(AS-MS)has emerged as a powerful label-free technique for identifying and characterizing ligand-target interactions.This review explores the diverse applications of AS-MS in drug discovery,including its role in selective screening,binding site characterization,and quantitative affinity determination.We discuss the use of AS-MS for determining equilibrium dissociation constants(KD)and competitive binding parameters(affinity competition experiment 50%(ACE50)),highlighting its ability to rank ligand affinities efficiently.The review also examines AS-MS applications in fragment-based drug discovery(FBDD),screening for molecular glues,and investigating interactions with membrane proteins.Moreover,we address key technical challenges,including competitive binding effects,protein stability,and ligand dissociation kinetics,along with recent advancements in automation and artificial intelligence(AI)integration.Rather than providing a comprehensive literature review,this work aims to broaden the applicability of AS-MS assays and encourage researchers to explore its use in underutilized contexts.By providing rapid and high-sensitivity affinity measurements,AS-MS continues to expand its role in drug discovery and structural biology,complementing conventional biophysical techniques.
基金supported by the National Natural Science Foundation of China(No.12372233)the Innovation Foundation for Doctor Dissertation of Northwestern Polytechnical University,China(No.25GH01020005)the“111 Project”of China(No.B17037)。
摘要As a multidisciplinary phenomenon,panel aeroelasticity in shock-dominated flow is featured by two primary interactions:Fluid-Structure Interactions(FSIs)and Shock-Boundary Layer Interactions(SBLIs).The former raises structural concerns,and the latter is of aerodynamic interest.Thus,panel aeroelasticity in shock-dominated flow represents a vital topic for the development and optimization of supersonic vehicles and propulsion systems.This review systematically summarizes recent advances in the methodologies applied to capture structural and fluid dynamics,including theoretical models,numerical simulations,and wind tunnel experiments.The application of data-driven modal decomposition,an advanced technique to extract physically crucial features,on the topic is introduced.From the perspective of FSIs,the distinctive aeroelastic behaviors in shock-dominated flow,including hysteresis phenomena and nonlinear responses,are highlighted.From the perspective of SBLIs,the modifications in their spatial and temporal characteristics imposed by the aeroelastic responses are emphasized.Motivated by the interaction between the shock waves and structural response,different strategies have been proposed to implement aeroelastic suppression and shock control,which have the potential to enhance structural safety and aerodynamic performance in the next generation of high-speed flight vehicles.
基金supported by the National Basic Research Program of China("973"Project)(Grant No.2013CB036203)the National Natural Science Foundation of China(Grant No.U1134206)+1 种基金the 111 project(Grant No.B13002)the Doctoral Fund of Ministry of Education of China(Grant No.20130009110036)
摘要Considering the CRTS-II track slab,which is commonly used in the Chinese high-speed railway system,a vehicle-track-bridge dynamic analysis method is proposed in which the vehicle subsystem equations are established by the rigid body dynamics method,the track subsystem and the bridge subsystem equations are established by the FEM,the wheel-rail contact relation is defined by the corresponding assumption in vertical direction and the Kalker linear creep theory in lateral direction.The in-span spring element is derived to model the track-bridge interaction;the equal-band-width storage is adopted to fit the track structure with multilayer uniform section beam;and the dynamic equilibrium equations are solved by the inter-history iteration method.As a case study,the response of a CRH2 high-speed train transverses a simply-supported bridge with successive 31.5m double bound pre-stress beams is simulated.The result shows that using the vehicle-track-bridge interaction model instead of the vehicle-bridge interaction model helps predict the rotation angle at beam ends and choose an economic beam vertical stiffness.
基金financially supported by the National Natural Science Foundation of China(Grant No.52171259)the National Key Technologies Research and Development Program(Grant No.2022YFE0107000)+1 种基金the High-tech Ship Research Project of the Ministry of Industry and Information Technology(Grant No.[2021]342)the Young Scientists Fund of the National Natural Science Foundation of China(Grant No.52301331).
摘要Structure-ice interaction problems have attracted increasing attention,yet accurately predicting the loads exerted by sea ice on ship hulls remains a significant challenge.Over the past few decades,various numerical methods have been employed to simulate ice resistance on ships and evaluate their manoeuvrability during ice-structure interaction.Among these approaches,the circumferential crack method has demonstrated both high efficiency and accuracy.This paper provides a detailed introduction to the fundamental theory of this method,including the numerical modeling of different failure modes and the dynamic ice motion responses.Furthermore,it reviews existing studies on predicting ice resistance and assessing the manoeuvrability of icebreakers navigating through ice-covered regions using the circumferential crack method.Several recommendations for future research in this field are also presented.
基金supported by Teaching Development Grant from the University of Hong Kong,China.
摘要Research in human‑robot Interaction(HRI)has increasingly demonstrated how Augmented Reality(AR)enables better interactions between humans and robots.However,the design of HRI remains less understood.Through a systematic literature review of 53 related papers,this research provides an overview of the emerging applications and trends for AR and identifies three types of AR interfaces as follows:1)remote modular interface,2)proximal modular interface,and 3)proximal integral interface.The review indicates potential future directions of construction‑oriented and human‑centric interaction design studies,leading to four pairs of subsystems,which are frequently modularised or integrated,and three conceptual frameworks for HRI interfaces are proposed.Moreover,this research contributes to the theoretical exploration of interaction design.Future applications can adapt to various tasks by using the proposed three conceptual frameworks for interfaces,as well as combining the four proposed subsystem pairs to suit specific task requirements in the construction sector.
基金support from the National Natural Science Foundation of China(No.22308279)Guangdong Basic and Applied Basic Research Foundation(No.2021A1515110695)Natural Science Foundation of Chongqing(No.2023NSCQMSX2773).
摘要As a common electronic adhesive,ultraviolet(UV)curing polyurethane acrylate adhesive has both flexibility and wear resistance of polyurethane,excellent weather resistance and optical properties of acrylate.Despite the extensive applications,it is still difficult to solve the problems caused by the shrinkage of adhesive.Here,a new type of photosensitive adhesive for bonding electronic components based on supramolecular interaction was designed and synthesized.The supramolecular interaction of cyclodextrin and adamantane moieties introduced into the adhesive polymer entitles the viscosity of the adhesive to rise rapidly during use,thereby preventing adhesive loss and dislocation of electronic components.UV light could further cure the adhesive and position the electronic components.The adhesive shrunk<2%when cured by UV light,so it can be used for electronic packaging and high-resolution,defect-free lithography.
基金supported by the National Natural Science Foundation of China(32072205)the Science and Technology Plan Project of Shaoxing City(2022B43001)。
摘要This study aimed to gain insight into the interaction and metabolic mechanism between Aspergillus flavus U-16 and Saccharomyces cerevisiae HJ during co-fermentation.Despite the suppressed transcriptional activity of SU-16,its metabolites exerted a pivotal regulatory influence.The metabolites produced by SU-16 significantly increased the ethanol content to 17.0%.They also significantly increased the contents of crucial flavor substances,including amino acids(at least 5 times)and esters(up to 1100 mg/L).SU-16 produced 130 metabolites that may affect flavor compounds,while HJ mainly controlled the synthesis of 161 compounds.Metabolites of SU-16 with different molecular weights were observed to exert differential regulatory effects on the fermentation process and the metabolic pathway of HJ.The small molecule metabolites of SU-16 promoted the growth of HJ significantly.In contrast,its macromolecular metabolites were found to mainly affect the expression of genes related to carbohydrate and amino acid metabolism in the HJ genome.
基金supported by the National Natural Science Foundation of China(No.42377257)。
摘要This study explores the competitive mechanisms of different types of microplastics(MPs)on pentavalent arsenic(As(Ⅴ))adsorption by magnetic biochar-supported layered double hydroxide composite(MBC@LDH).The effects of the solution pH,ionic strength,temperature,material dosage,and MP concentration on As(Ⅴ)adsorption were investigated in co-existing MPs and MBC@LDH systems.Results revealed MPs competitively occupied As(Ⅴ)adsorption sites on MBC@LDH,with varying inhibition efficiencies:polyvinyl chloride(PVC)provided 45.44%of the competitive adsorption,representing a significant reduction in adsorption affinity especially in acidic environments and higher ionic strength.The reduced percentage of adsorption capacity of MBC@LDH for As(Ⅴ)induced by polystyrene(PS)was 35.55%,and that for polyethylene(PE)was also just between PVC and PS,especially in acidic environments and higher ionic strength.Further exploration manifested that the presence of MPs decreased the crystallinity of the CaMgAl LDH in MBC@LDH,which disrupted the surface complexation and hydrogen bonding between MBC-LDH and As.In addition,the strengths of the As–O bonds in MBC@LDH were more significantly reduced by PVC with its entering into the binary system rather than PS and PE,which was ascribable to the strong negative charge and hydrophobic separation properties of PVC.Interestingly,PVC promoted the conversion of As(Ⅴ)to As(Ⅲ)on MBC@LDH but not when PE and PS were added,which might be related to the surface chemical bonding and polarity of the different MPs.This study provides a theoretical reference for MPs'competitive adsorption mechanisms of As on porous materials in aqueous environments.
基金supported by the National Natural Science Foundation of China(Nos.22577103,22571257,22301246)the Project of Science and Technology of Social Development in Shaanxi Province(Nos.2023-YBSF-151,2024SF-YBXM-294)+2 种基金the Shaanxi Province Postdoctoral Science Foundation(No.2023BSHEDZZ101)the Fundamental Research Program of Shanxi Province(No.202403021221212)the Research Foundation Project of Changzhi Medical College(No.HZZD202406)。
摘要Biomolecular self-assembly systems form the cornerstone of biological structures,in which the interactions between carbohydrates and proteins play a crucial role in many life processes.This has driven the development of biomimetic carbohydrate-protein supramolecular assemblies(BCPSAs),which show great potential in biomedical research.We successfully constructed a novel supramolecular hybrid nanocarrier with pH responsiveness and targeting capabilities based on specific interactions between carbohydrates and proteins.This system self-assembles into nanoparticles CA@MP5 in water through the specific binding of mannose clusters on glycosylated pillar[5]arene MP5 with lectin Con A.Additionally,through a host-guest assembly strategy with the synthesized β-D-galactopyranosyl pyridine derivative G,it complexes within the MP5 cavity to form a"double-sweet"supramolecular glyco-nanoprotein(CA@MP5⊃G).This system shows high affinity for the asialoglycoprotein receptor(ASGPR)on HepG2 liver cancer cells.In vitro,the doxorubicin(DOX)-loaded micelles(DCA@MP5⊃G)release drug effectively in acidic environments and significantly inhibit HepG2 cell growth,with reduced toxicity toward normal cells.In vivo,the nanocarrier targets tumors effectively,reducing systemic toxicity and inhibiting tumor growth.This study offers a novel construction strategy for drug delivery systems based on carbohydrate-protein interactions in anti-tumor applications,which is significant for enhancing therapeutic efficacy.
基金supported by the China Postdoctoral Science Foundation(2025M772118)the National Natural Science Foundation of China(82271525,82471553,and 82471507)the Natural Science Foundation of Guangdong Province(2023A1515010456 and 2024A1515030100).
摘要Schizophrenia(SCZ)is a severe mental illness influenced by gene-environment interactions(GEI).However,little is known about how GEI mediates SCZ.The present study aimed to examine the underlying mechanism of SCZ mediated by GEI.We found that a single environmental factor(two-week adolescent social isolation)or genetic factor(the heterozygous Rims1 knockout mice)did not induce SCZ-like behaviors.Interestingly,two-week adolescent social isolation successfully caused SCZ-like behaviors in heterozygous Rims1 knockout mice,which can be rescued by anti-SCZ drugs.RNA-seq analysis further revealed that synaptic vesicle-related biological processes and target genes were enriched in the hippocampus of GEI animal model mice,which was accompanied by disturbed excitatory synaptic neurotransmission.Finally,the Nrg1 gene was decreased in our RNA-seq analysis,and supplementation of Nrg1 ameliorated SCZ-like behaviors in heterozygous Rims1 socially isolated mice.Our findings establish a novel GEI animal model and offer a potential therapeutic target in the treatment of SCZ.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.11774001 and 52202156)the Scientific Research Project of Colleges and Universities in Anhui Province(Grant No.2022AH050113)+3 种基金the Natural Science Key Research Fund of Anhui Provincial Department of Education(Grant No.2025AHGXZK30022)Hefei Municipal Key Science and Technology R&D Program(Grant No.2025SKJGGHLG005)the Research Foundation for Talents of Hefei Institute of Technology(Grant Nos.2025KY46 and 2025KY47)the Postdoctoral Daily Public Start-up Funds of Anhui University(Grant No.S202418001/069)。
摘要Moisture-enabled electricity generation technology offers a new paradigm for sustainable energy harvesting,but its practical applications are still limited by issues such as low output power and insufficient long-term stability.In this paper,an asymmetric sandwich-structured hydrogel moist-electric generator(SSHMEG)with an ion concentration gradient is designed and constructed.Through dynamic exchange with moisture in ambient humidity,a stable ion diffusion direction is established inside the device,thereby achieving durable and efficient moisture-enabled electricity generation performance.The SSHMEG achieves an open-circuit voltage as high as 1.15 V and a short-circuit current density of 2350μA cm-2 at 90%relative humidity(RH),along with excellent long-term stability(maintaining>1.05 V continuously for 20 days).Featuring high integrability to meet the output requirements of electronic devices,the SSHMEG is highly sensitive to humidity and internal resistance changes(e.g.,respiration and stretching),enabling its application as a self-powered respiration/strain sensor.Combined with deep learning,the strain sensor based on SSHMEG realizes gesture recognition with 100%accuracy.Through the collaborative innovation of the material-structure mechanism,this work paves a new path for the next-generation high-performance,multifunctional,and self-powered MEG systems.
基金supported by the NHMRC Healthy Environments and Lives(HEAL)National Research Network and Scheme for Promotion of Academic and Research Collaboration(SPARC)(No.SPARC/2019-2020/P1789/SL)。
摘要Airborne microplastics(MPs)are prevalent indoors,and due to their low aerodynamic diameter,they can be inhaled,posing potential health risks.Although the toxic effects of airborne MPs have been explored using in vivo and in vitro models,the interactions between MPs and cellular receptors remain understudied.In this research,dust samples from a confined space within an academic setting were investigated for microplastics(MPs)and their abundance.Further,the most prevalent microplastics were used to study receptor binding and competition interaction studies using the In-Silico method against natural agonists and antagonists of major inflammatory receptors,including the human platelet-activating factor receptor(PAFR),C-X-C motif chemokine receptor 1(CXCR1),β2-adrenergic receptor(β2-AR),and toll-like receptor 2(TLR-2).Results revealed that polyester(PE)was the predominant polymer,accounting for 23.96%of the samples.Analysis indicated that a monomer of PET,Ethylene Terephthalate(ET),exhibited a high binding affinity of-6.5 kcal/mol with the PAFR receptor.Additionally,the molecular dynamics and protein-ligand interaction study,which involves hydrogen bonding,explains the differential binding effect of ET and the control compound with the targeted receptor.The complex was formed between the ET and the receptors ofβ2-AR,CXCR1,and TLR-2,with a maximum of seven and a minimum of one hydrogen bond throughout the simulation.This research lays a foundation for understanding the potential health implications of MPs in confined office spaces,underscoring the need for further in vivo and in vitro examinations.
基金Supported by the Sichuan Science and Technology Program(Grant Nos.2021YFD0211,2023ZDZX0011).
摘要Significant diurnal temperature variations in mountainous rack railways cause stiffness mismatches between the rack structure and simply supported bridges,leading to critical failures like bolt loosening and rack fractures.This study develops a dynamic model of the vehicle-rack-bridge system based on train-track-bridge interaction theory,integrating gear-rack meshing and wheel-rail contact mechanisms.The model analyzes the dynamic response of bridges with varying spans under combined thermal and dynamic loading.Numerical simulations,conducted using finite element analysis,reveal peak vibration accelerations of 1.3 m/s2for the rack,3.0 m/s2for the rail,1.2 m/s2for the sleeper,and 0.1 m/s2for the bridge,with maximum stresses of 3 MPa in the rack,8 MPa in the rail,and 25 MPa in connecting bolts.The results show significant span-dependent amplification of stress and strain in the rack system under thermo-mechanical loading,exceeding material strength limits at 60-meter spans.An innovative elastic connection method is proposed to mitigate stress concentrations effectively,en-hancing system durability.This study introduces a novel approach to modeling complex thermo-mechanical interactions in rack railway systems,validated through extensive simulations,and provides a practical solution for improving structural resilience,offering theoretical guidance for optimizing rack-bridge system design to ensure operational safety in extreme environmental conditions.