In a superconductor embedded with a quantum magnetic impurity,the Kondo effect is involved,leading to the competition between the Kondo singlet phase and the superconductivity phase.By means of the natural orbitals re...In a superconductor embedded with a quantum magnetic impurity,the Kondo effect is involved,leading to the competition between the Kondo singlet phase and the superconductivity phase.By means of the natural orbitals renormalization group(NORG)method,we revisit the problem of a quantum magnetic impurity coupled with a conventional s-wave superconductor.Here we present a detailed study focusing on the impurity spin polarization and susceptibility,the Kondo screening cloud,as well as the number and structures of the active natural orbitals(ANOs).In the superconducting phase,the impurity spin is partially polarized,indicating that the impurity remains partially screened by the quantum fluctuations.Furthermore,the impurity spin susceptibility becomes divergent,resulting from the presence of residual local moment formed at the impurity site.Correspondingly,a non-integral(incomplete)Kondo cloud is formed,although the ground state is a spin doublet in this phase.In comparison,the Kondo cloud is complete in the Kondo singlet phase as expected.We also quantify the critical point,where the quantum phase transition from a Kondo singlet phase to a superconducting phase occurs,which is consistent with that in previous works.On the other hand,it is illustrated that only one ANO emerges in both quantum phases.The structures of the ANO,projected into both the real space and momentum space,are distinct in the Kondo singlet phase from that in the superconducting phase.More specifically,in the Kondo singlet phase,the ANO keeps fully active with half-occupied,and the superconducting gap has negligible influence on its structure.On the contrary,in the superconducting phase,the ANO tends to be inactive and its structure changes significantly as the superconducting gap increases.Additionally,our investigation demonstrates that the NORG method is reliable and convenient to solve the quantum impurity problems in superconductors as well,which will promote further theoretical studies on the Kondo problems in such systems using numerical methods.展开更多
Unraveling the essence of electronic structure effected by d-d orbital coupling of transition metal and methanol oxidation reaction(MOR)performance can fundamentally guide high efficient catalyst design.Herein,density...Unraveling the essence of electronic structure effected by d-d orbital coupling of transition metal and methanol oxidation reaction(MOR)performance can fundamentally guide high efficient catalyst design.Herein,density functional theory(DFT)calculations were performed at first to study the d–d orbital interaction of metallic Pt Pd Cu,revealing that the incorporation of Pd and Cu atoms into Pt system can enhance d-d electron interaction via capturing antibonding orbital electrons of Pt to fill the surrounding Pd and Cu atoms.Under the theoretical guidance,Pt Pd Cu medium entropy alloy aerogels(Pt Pd Cu MEAAs)catalysts have been designed and systematically screened for MOR under acid,alkaline and neutral electrolyte.Furthermore,DFT calculation and in-situ fourier transform infrared spectroscopy analysis indicate that Pt Pd Cu MEAAs follow the direct pathway via formate as the reactive intermediate to be directly oxidized to CO_(2).For practical direct methanol fuel cells(DMFCs),the Pt Pd Cu MEAAs-integrated ultra-thin catalyst layer(4–5μm thickness)as anode exhibits higher peak power density of 35 m W/cm^(2) than commercial Pt/C of 20 m W/cm^(2)(~40μm thickness)under the similar noble metal loading and an impressive stability retention at a 50-m A/cm^(2) constant current for 10 h.This work clearly proves that optimizing the intermediate adsorption capacity via d-d orbital coupling is an effective strategy to design highly efficient catalysts for DMFCs.展开更多
Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemi...Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)).展开更多
This paper studies certain estimates for the lower bound of distance between unitary orbits of normal elements.We show that the distance between unitary orbits of normal elements of simple C^(*)-algebras of tracial ra...This paper studies certain estimates for the lower bound of distance between unitary orbits of normal elements.We show that the distance between unitary orbits of normal elements of simple C^(*)-algebras of tracial rank no more than k has a lower bound.Furthermore,if k≤1 and normal elements are commuting,then the lower bound will be better.Another result establishes a connection involving the spectrum distance operator Dc between a C^(*)-algebra of stable rank one C^(*)-algebra and its hereditary C^(*)-subalgebra.展开更多
Dear Editor,Idiopathic orbital inflammation(IOI),also known as orbital inflammatory pseudotumor,is a relatively common orbital disorder[1].Its pathogenesis remains unclear,often regarded as a nonspecific immune-mediat...Dear Editor,Idiopathic orbital inflammation(IOI),also known as orbital inflammatory pseudotumor,is a relatively common orbital disorder[1].Its pathogenesis remains unclear,often regarded as a nonspecific immune-mediated response[2].IOI presents with symptoms such as pain,photophobia,proptosis,eyelid swelling,edema,conjunctival congestion,and diplopia,with possible vision loss occurring in some cases.Based on the soft tissue structures involved,IOI can be classified into subtypes such as myositis,optic neuritis,dacryoadenitis,diffuse orbital inflammation,and orbital inflammatory masses[2].展开更多
The problem of maneuvering for a servicing spacecraft(inspector)to inspect a noncooperative spacecraft(evader)in cislunar space is investigated in this paper.The evader,which may be a malfunctioning or uncontrolled sa...The problem of maneuvering for a servicing spacecraft(inspector)to inspect a noncooperative spacecraft(evader)in cislunar space is investigated in this paper.The evader,which may be a malfunctioning or uncontrolled satellite,introduces uncertainties due to its potential maneuvering capabilities.To address this challenge,the scenario is modeled as a special orbital game,incorporating the unique complexities of the cislunar environment.A variable-duration,turn-based inspection and anti-inspection game model is designed.The model defines both players'rules,constraints,and victory conditions,providing a framework for non-cooperative inspection.Strategies for both players are developed and validated based on their dynamical properties.The inspector's strategy integrates two-body Lambert transfers with shooting methods,while the evader's strategy aims to maximize the inspector's fuel consumption.Simulation results show that the evader's optimal strategy involves deliberate fluctuations in its lunar periapsis altitude,with the inspector's requiredΔV up to eight times greater than the evader's.The impact of game constraints is evaluated,and the effectiveness of deploying the inspector in low lunar orbit is compared with the inspector at the Earth-Moon Lagrange point L1.The strengths and weaknesses of both are shown.These findings provide valuable insights for future orbital servicing and orbital games.展开更多
Most small bodies in the solar system have low orbital inclinations,concentrated near the ecliptic plane.However,some small bodies exhibit high orbital inclinations(i>20°)and are referred to as high-inclinatio...Most small bodies in the solar system have low orbital inclinations,concentrated near the ecliptic plane.However,some small bodies exhibit high orbital inclinations(i>20°)and are referred to as high-inclination small bodies.The discovery and study of these high-inclination objects are reshaping traditional understanding and challenging classical dynamical models.With the advancement of wide-field sky survey projects,an increasing number of small bodies with high-inclination and even retrograde orbits have been observed.Their unique orbital configurations suggest complex formation mechanisms and evolutionary histories.High-inclination small bodies differ significantly from ecliptic plane objects in terms of surface composition,size distribution,and dynamical behavior.Their formation mechanisms involve various pathways,such as gravitational perturbations and planetary scattering,resonance capture and inclination excitation,and the influence of potential Planet Nine.These objects not only serve as"fossil records"of the early evolution of the solar system but also provide new research perspectives for planetary formation theories,interstellar material exchange,and deep-space resource exploration.展开更多
This paper proposes a threat assessment framework for non-cooperative satellites by analyzing their motion characteristics,developing a quantitative evaluation methodology,and demonstrating its effectiveness via repre...This paper proposes a threat assessment framework for non-cooperative satellites by analyzing their motion characteristics,developing a quantitative evaluation methodology,and demonstrating its effectiveness via representative scenarios with neural network acceleration.The framework first establishes a threat evaluation model that integrates three core parameters:capability,opportunity,and hidden values.Subsequently,this research systematically investigates the critical role of transfer windows in threat quantification and introduces a transfer window-based threat assessment approach.The proposed methodology is validated through multiple representative scenarios,with simulation results demonstrating superior performance compared to conventional methods relying solely on optimal transfer windows or minimum distance metrics,enabling more nuanced threat ranking in scenarios where traditional techniques prove inadequate.To address computational demands,a neural networkbased approximation system is implemented to achieve a 25,200×speedup(0.005 s vs.baseline 126 s per 1000-sample batch)through parallel processing,maintaining 99.3%accuracy.Finally,the study explores the framework's extensibility to diverse NCS objectives.It identifies discrepancies between intention inference models and threat evaluation paradigms,providing methodological insights for next-generation space domain awareness systems.展开更多
This letter reports a gravitational redshift measurement experiment using a satellite-based compact passive hydrogen maser(PHM)in a lunar distant retrograde orbit(DRO).In March 2024,the Chinese Academy of Sciences lau...This letter reports a gravitational redshift measurement experiment using a satellite-based compact passive hydrogen maser(PHM)in a lunar distant retrograde orbit(DRO).In March 2024,the Chinese Academy of Sciences launched the DRO-A/B twin satellites,which entered a DRO in July 2024.This orbit has a geocentric distance of approximately 300,000–450,000 kilometers and a 2:1 resonance ratio.Employing microwave dual one-way ranging(DOWR),satellite-ground time-frequency comparisons were successfully achieved in April 2025 using the PHM aboard the DRO-A satellite.This study validated the in-orbit performance of the compact PHM and supported tests of the Einstein Equivalence Principle.The gravitational redshift measurement result is(8.74±4.17)×10^(−3).As the world’s first fundamental physics experiment to deploy PHMs in a lunar DRO,this study provides significant new engineering approaches for testing gravitational theories in cislunar space.展开更多
The design and fabrication of ordered epitaxial MOF-on-MOF heterostructures as highly efficient electrocatalysts for water splitting is crucial but still challenging.In this study,a simple coordination-driven self-ass...The design and fabrication of ordered epitaxial MOF-on-MOF heterostructures as highly efficient electrocatalysts for water splitting is crucial but still challenging.In this study,a simple coordination-driven self-assembly method is used to fabricate controllable MOF-on-MOF multiscale heterostructures,where triangular host MOF(ZIF-67)nanosheets undergo in situ epitaxial growth to form uniform orthogonal vip MOF(CoFe PBA)nanosheets.Phosphorus(P)is further introduced in situ to fabricate CoP and Fe_(2)P heterostructured nanosheets(CoFe-P-NS),which exhibit excellent bifunctional electrocatalytic performance due to the enhancement of intrinsic electrocatalytic activity by p-d orbital hybridization.Specifically,the CoFe-P-NS requires low overpotential of 259 and 307 mV to reach 500 mA cm−2 for HER and OER,respectively.Remarkably,the assembled electrolysis cell maintained a large current density of 300 mA cm−2 for over 360 h with negligible voltage increase during alkaline seawater electrolysis.Experiments and theoretical calculations show that the synergistic catalytic activity of bimetallic phosphides arises from p-d orbital hybridization,where the CoP-P sites enhance HER by optimizing H*adsorption in the Volmer-Heyrovsky steps,while the Fe_(2)P-Fe sites accelerate OER by lowering the energy barrier of the rate-determining step from O*to OOH*.This study provides valuable insights into the design of a controllable MOF-on-MOF-based electrocatalyst toward alkaline seawater splitting.展开更多
AIM:To investigate the clinical features and prognosis of patients with orbital inflammatory myofibroblastic tumor(IMT).METHODS:This retrospective study collected clinical data from 22 patients diagnosed with orbital ...AIM:To investigate the clinical features and prognosis of patients with orbital inflammatory myofibroblastic tumor(IMT).METHODS:This retrospective study collected clinical data from 22 patients diagnosed with orbital IMT based on histopathological examination.The patients were followed up to assess their prognosis.Clinical data from patients,including age,gender,course of disease,past medical history,primary symptoms,ophthalmologic examination findings,general condition,as well as imaging,laboratory,histopathological,and immunohistochemical results from digital records were collected.Orbital magnetic resonance imaging(MRI)and(or)computed tomography(CT)scans were performed to assess bone destruction of the mass,invasion of surrounding tissues,and any inflammatory changes in periorbital areas.RESULTS:The mean age of patients with orbital IMT was 28.24±3.30y,with a male-to-female ratio of 1.2:1.Main clinical manifestations were proptosis,blurred vision,palpable mass,and pain.Bone destruction and surrounding tissue invasion occurred in 72.73%and 54.55%of cases,respectively.Inflammatory changes in the periorbital site were observed in 77.27%of the patients.Hematoxylin and eosin staining showed proliferation of fibroblasts and myofibroblasts,accompanied by infiltration of lymphocytes and plasma cells.Immunohistochemical staining revealed that smooth muscle actin(SMA)and vimentin were positive in 100%of cases,while anaplastic lymphoma kinase(ALK)showed positivity in 47.37%.The recurrence rate of orbital IMT was 27.27%,and sarcomatous degeneration could occur.There were no significant correlations between recurrence and factors such as age,gender,laterality,duration of the disease,periorbital tissue invasion,bone destruction,periorbital inflammation,tumor size,fever,leukocytosis,or treatment(P>0.05).However,lymphadenopathy and a Ki-67 index of 10%or higher may be risk factors for recurrence(P=0.046;P=0.023).CONCLUSION:Orbital IMT is a locally invasive disease that may recur or lead to sarcomatoid degeneration,primarily affecting young and middle-aged patients.The presence of lymphadenopathy and a Ki-67 index of 10%or higher may signify a poor prognosis.展开更多
BACKGROUND:Maxillofacial trauma represents a significant challenge in emergency medicine,requiring both diagnostic accuracy and prompt intervention while balancing immediate life-saving interventions with preservation...BACKGROUND:Maxillofacial trauma represents a significant challenge in emergency medicine,requiring both diagnostic accuracy and prompt intervention while balancing immediate life-saving interventions with preservation of function and aesthetics.The complex anatomy of this region,with its proximity to critical structures,demands a thorough understanding of assessment and management principles.This narrative review aims to provide evidence-based guidelines for emergency physicians managing maxillofacial trauma,with particular emphasis on early recognition of critical injuries,airway management strategies,and special population considerations.METHODS:A narrative review was conducted via a comprehensive literature search of the PubMed and Scopus databases,which focused on maxillofacial trauma management in emergency settings.Articles were selected based on relevance to clinical practice,methodological quality,and current management guidelines.The review synthesized evidence from multiple study types,including original research,systematic reviews,and clinical practice guidelines,to provide practical guidance for emergency physicians.RESULTS:Initial assessment following Advanced Trauma Life Support(ATLS)principles is crucial,with airway management being a primary concern due to the risk of dynamic obstruction.Critical time-sensitive emergencies include orbital compartment syndrome,trapdoor fractures(in pediatric patients),and facial nerve injuries.Computed tomography(CT)imaging remains the gold standard for diagnosis.Special considerations are required for pediatric patients,who present unique anatomical challenges and injury patterns,and for elderly patients,who often have complex medical comorbidities and increased complication risks.Management strategies range from conservative treatment to urgent surgical intervention,with decisions based on the injury pattern and associated complications.CONCLUSION:Emergency physicians must maintain a structured yet fl exible approach to maxillofacial trauma,focusing on early recognition of critical injuries,appropriate airway management,and timely specialist consultation.Understanding injury patterns and their potential complications allows for eff ective risk stratifi cation and treatment planning,ultimately improving patient outcomes.展开更多
Lithium-sulfur(Li-S)batteries hold great promise for high-energy–density energy storage applications but are plagued by the severe shuttle effect and sluggish conversion kinetics of lithium polysulfides(Li PSs).We he...Lithium-sulfur(Li-S)batteries hold great promise for high-energy–density energy storage applications but are plagued by the severe shuttle effect and sluggish conversion kinetics of lithium polysulfides(Li PSs).We herein report a d-p-f orbital coupling strategy to tackle these critical challenges by incorporating Eu 4f orbitals to activate both metallic(Ni)and non-metallic(Se)sites of Ni Se.The imported Eu atoms could induce essential Ni 3d and Se 4p orbital reconstruction through gradient d-p-f coupling,thereby optimizing the band center alignment between Ni Se and Li PSs.Such electronic reconstruction strengthens both d-p hybridization between Ni and Li PSs and s-p hybridization between Se and Li PSs,which can not only enhance the chemisorption affinity toward Li PSs but also accelerate interfacial charge transfer kinetics,leading to suppressed shuttle effect and boosted Li PSs conversion kinetics.Therefore,the Li-S batteries assembled with Eu incorporated Ni Se deliver exceptional electrochemical performance with a high specific capacity of 896.2 m Ah g^(-1)at 4 C and a retained areal capacity of 5.66 m Ah cm^(-2)under a high sulfur loading of 5.94 mg cm^(-2)after 100 cycles.This work underscores the critical role of rare-earth 4f orbital coupling for modulating the active sites to construct high-efficiency electrocatalysts for Li-S batteries and beyond.展开更多
AIM:To define the prevalence and anatomical patterns of paranasal sinus abnormalities(PSA)in thyroid-associated ophthalmopathy(TAO)and to test the hypothesis that TAO is partially driven by contiguous orbital inflamma...AIM:To define the prevalence and anatomical patterns of paranasal sinus abnormalities(PSA)in thyroid-associated ophthalmopathy(TAO)and to test the hypothesis that TAO is partially driven by contiguous orbital inflammation rather than systemic autoimmunity or generalized orbital pressure.METHODS:Data included ophthalmic assessments and a panel of thyroid function and autoimmune biomarkers.Blinded radiological analysis of orbital computed tomography(CT)scans was performed to quantify sinus abnormalities and extraocular muscles(EOMs)involvement.Patients were categorized into two groups based on CT findings,those with no radiological evidence of sinus abnormalities(non-PSA control group)and those with identifiable PSA.Furthermore,ethmoid sinus mucosal biopsies from a subset of TAO patients and noninflammatory controls were subjected to histopathological analysis.RESULTS:Totally 121 TAO patients(mean age 42.4±12.8y,range 10-78y),male:female=42:79,were included.PSA was identified in 44.6%(n=54)of patients,with a distribution anatomically restricted to the maxillary(50.0%isolated)and ethmoid sinuses(18.5%isolated;29.6%combined).Compared to the non-PSA group(n=67),patients with PSA were significantly older(45.1±11.8 vs 40.3±13.2y;P=0.040)and were more likely to be male(55.6%vs 17.9%;P<0.001).They also had significantly higher proptosis(22.1±3.2 vs 20.7±2.9 mm;P<0.001).Medial/inferior rectus involvement was most frequent(88.4%vs 89.3%).Histopathological analysis of sinus mucosa from PSA patients provided direct evidence of pathology,revealing a dense,chronic lymphoplasmacytic infiltrate and submucosal edema,validating the radiological findings as a true inflammatory process.No significant correlation was found with systemic autoimmune markers,including thyroid-stimulating hormone(TSH)receptor antibodies(TRAb,median 4.86 vs 2.71 IU/L,P=0.104).CONCLUSION:TAO is associated with a high prevalence of PSA in a pattern consistent with the orbital anatomy.The correlation with ipsilateral muscle thickening combined with the lack of association with proptosis laterality or systemic biomarkers lend strong support to a model of contiguous inflammation over systemic autoimmunity,a hypothesis that warrants further validation through longitudinal and mechanistic studies.展开更多
First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties o...First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties of a wide variety of materials.Among different implementations of DFT,the plane-wave method is widely used for periodic systems because of its high accuracy.However,this method typically requires a large number of basis functions for large systems,leading to high computational costs.Localized basis sets,such as the muffin-tin orbital(MTO)method,have been introduced to provide a more efficient description of electronic structure with a reduced basis set,albeit at the cost of reduced computational accuracy.In this work,we propose an optimization strategy using machine-learning techniques to automate MTO basis-set parameters,thereby improving the accuracy and efficiency of MTO-based calculations.Default MTO parameter settings primarily focus on lattice structure and give less consideration to element-specific differences.In contrast,our optimized parameters incorporate both structural and elemental information.Based on these converged parameters,we successfully recovered missing bands for CrTe_(2).For the other three materials—Si,GaAs,and CrI_(3)—we achieved band improvements of up to 2 e V.Furthermore,the generalization of the machine-learned method is validated by perturbation,strain,and elemental substitution,resulting in improved band structures.Additionally,lattice-constant optimization for Ga As using the converged parameters yields closer agreement with experiment.展开更多
Hard carbon is a vital anode material for sodium-ion batteries;however,the nonuniform growth of solid electrolyte interphase(SEI)film substantially diminishes its initial coulombic efficiency(ICE)and cycle life.The ch...Hard carbon is a vital anode material for sodium-ion batteries;however,the nonuniform growth of solid electrolyte interphase(SEI)film substantially diminishes its initial coulombic efficiency(ICE)and cycle life.The chemical and morphological properties of surface highly influence the electrode/electrolyte interfacial reactions.In this study,we have tuned orbital hybridization states forming an interface enriched with sp^(2) hybridized carbon(sp^(2)-C),which decreases the binding energy to solvent molecules and inhibits excessive solvent decomposition during SEI formation.Benefiting from successfully constructed inorganic-rich SEI,the ICE increased to 91%and sodium storage capacity reached 346 mAh/g.Besides,the capacity retention rate was 90.7%after 700 cycles at 1 A/g higher than pristine electrode(83.8%).展开更多
The complex chaotic behavior of a quasi-zero-stiffness(QZS)double-winged system with symmetric impact boundaries is investigated with Melnikov functions and numerical simulations.The analysis reveals the coexistence o...The complex chaotic behavior of a quasi-zero-stiffness(QZS)double-winged system with symmetric impact boundaries is investigated with Melnikov functions and numerical simulations.The analysis reveals the coexistence of multiple attractors.As a key mass parameter varies,the mechanism underlying degenerate singular closed orbits is elucidated,based upon which five distinct types of singular closed orbits are discovered,exhibiting both smooth and discontinuous(SD)characteristics.The chaotic threshold of each singular orbit is obtained by Melnikov functions and verified by numerical simulations.The numerical results further demonstrate the coexistence of SD motions.For zero damping systems,the Kolmogorov-Arnold-Moser(KAM)structures are exhibited to present the complex quasi-periodic and resonant behavior coexisting with chaotic and periodic motions.These findings advance the understanding of chaotic dynamics in nonsmooth multi-well impact systems.展开更多
Dear Editor,As space exploration transitions from short orbital missions to extended stays on the International Space Station(ISS)and,ultimately,interplanetary travel,astronaut health has emerged as a critical focus.I...Dear Editor,As space exploration transitions from short orbital missions to extended stays on the International Space Station(ISS)and,ultimately,interplanetary travel,astronaut health has emerged as a critical focus.In particular,safeguarding cardiovascular function has become an operational imperative.Yet beyond safeguarding those in orbit,the physiological adaptations observed in microgravity offer a compelling lens through which to examine persistent challenges in terrestrial medicine,from orthostatic intolerance in the elderly to deconditioning in critical care survivors.By studying how the human cardiovascular system functions in the absence of gravity.展开更多
Band inversion induced by spin–orbit coupling in topological semimetals typically generates light charge carriers with high Fermi velocities,which are highly desirable for low-dissipation and coherent quantum transpo...Band inversion induced by spin–orbit coupling in topological semimetals typically generates light charge carriers with high Fermi velocities,which are highly desirable for low-dissipation and coherent quantum transport in topological devices.The presence of these carriers in real materials strongly depends on the Fermi-level position.2M-WSe_(2),with its topological and van der Waals nature,serves as an ideal platform for studying quantum transport in two-dimensional systems,despite the fact that interlayer coupling suppresses the formation of light carriers.In this study,we solvothermally intercalate 1,3-diaminopropane molecules into the interlayer space of 2M-WSe_(2);these molecules effectively adapt to the electronic structure by eliminating interlayer coupling.Simultaneously,slight electron doping via charge transfer results in a small Fermi pocket with an extremely light effective mass,0.04–0.06 me,as revealed by quantum oscillation measurements.This study demonstrates that molecular intercalation is an effective approach for engineering van der Waals topological materials to achieve specific quantum transport properties.展开更多
This study investigated the suppressive effects of Armoracia rusticana(AR)and its three main glucosinolates on both free and bound heterocyclic amines(HAs),along with their mechanisms of free radical quenching using d...This study investigated the suppressive effects of Armoracia rusticana(AR)and its three main glucosinolates on both free and bound heterocyclic amines(HAs),along with their mechanisms of free radical quenching using density functional theory.Fish patties were supplemented with varying concentrations of AR(0.5%‒1.5%)and glucosinolates(0.005%‒0.015%),showing a dose-dependent inhibition of HAs and concurrent elimination of free radicals and HAs intermediates.Glucobrassicin demonstrated the highest reactivity,which was verified by frontier orbit analysis and conceptual density functional parameters,consistent with experimental findings.Furthermore,the O-H bond connected to the sulfur atom of glucobrassicin possessed the smallest bond dissociation enthalpy(BDE)value,which indicated that this particular hydrogen atom is most susceptible to react with free radicals.Overall,AR and its glucosinolates,especially glucobrassicin,show promise as natural additives for improving food safety and quality.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12104247 and 11934020)。
文摘In a superconductor embedded with a quantum magnetic impurity,the Kondo effect is involved,leading to the competition between the Kondo singlet phase and the superconductivity phase.By means of the natural orbitals renormalization group(NORG)method,we revisit the problem of a quantum magnetic impurity coupled with a conventional s-wave superconductor.Here we present a detailed study focusing on the impurity spin polarization and susceptibility,the Kondo screening cloud,as well as the number and structures of the active natural orbitals(ANOs).In the superconducting phase,the impurity spin is partially polarized,indicating that the impurity remains partially screened by the quantum fluctuations.Furthermore,the impurity spin susceptibility becomes divergent,resulting from the presence of residual local moment formed at the impurity site.Correspondingly,a non-integral(incomplete)Kondo cloud is formed,although the ground state is a spin doublet in this phase.In comparison,the Kondo cloud is complete in the Kondo singlet phase as expected.We also quantify the critical point,where the quantum phase transition from a Kondo singlet phase to a superconducting phase occurs,which is consistent with that in previous works.On the other hand,it is illustrated that only one ANO emerges in both quantum phases.The structures of the ANO,projected into both the real space and momentum space,are distinct in the Kondo singlet phase from that in the superconducting phase.More specifically,in the Kondo singlet phase,the ANO keeps fully active with half-occupied,and the superconducting gap has negligible influence on its structure.On the contrary,in the superconducting phase,the ANO tends to be inactive and its structure changes significantly as the superconducting gap increases.Additionally,our investigation demonstrates that the NORG method is reliable and convenient to solve the quantum impurity problems in superconductors as well,which will promote further theoretical studies on the Kondo problems in such systems using numerical methods.
基金financially supported by the National Natural Science Foundation of China(Nos.52073214 and 22075211)Guangxi Natural Science Fund for Distinguished Young Scholars(No.2024GXNSFFA010008)+5 种基金Natural Science Foundation of Shandong Province(Nos.ZR2023MB049 and ZR2021QB129)China Postdoctoral Science Foundation(No.2020M670483)Science Foundation of Weifang University(No.2023BS11)supported by the open research fund of the Laboratory of Xinjiang Native Medicinal and Edible Plant Resources Chemistry at Kashi Universitysupported by the Tianhe Qingsuo Open Research Fund of TSYS in 2022 and NSCC-TJNankai University Large-scale Instrument Experimental Technology R&D Project(No.21NKSYJS09)。
文摘Unraveling the essence of electronic structure effected by d-d orbital coupling of transition metal and methanol oxidation reaction(MOR)performance can fundamentally guide high efficient catalyst design.Herein,density functional theory(DFT)calculations were performed at first to study the d–d orbital interaction of metallic Pt Pd Cu,revealing that the incorporation of Pd and Cu atoms into Pt system can enhance d-d electron interaction via capturing antibonding orbital electrons of Pt to fill the surrounding Pd and Cu atoms.Under the theoretical guidance,Pt Pd Cu medium entropy alloy aerogels(Pt Pd Cu MEAAs)catalysts have been designed and systematically screened for MOR under acid,alkaline and neutral electrolyte.Furthermore,DFT calculation and in-situ fourier transform infrared spectroscopy analysis indicate that Pt Pd Cu MEAAs follow the direct pathway via formate as the reactive intermediate to be directly oxidized to CO_(2).For practical direct methanol fuel cells(DMFCs),the Pt Pd Cu MEAAs-integrated ultra-thin catalyst layer(4–5μm thickness)as anode exhibits higher peak power density of 35 m W/cm^(2) than commercial Pt/C of 20 m W/cm^(2)(~40μm thickness)under the similar noble metal loading and an impressive stability retention at a 50-m A/cm^(2) constant current for 10 h.This work clearly proves that optimizing the intermediate adsorption capacity via d-d orbital coupling is an effective strategy to design highly efficient catalysts for DMFCs.
文摘Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)).
基金Supported by Zhejiang Provincial Natural Science Foundation of China(No.ZCLQN25A0103)。
文摘This paper studies certain estimates for the lower bound of distance between unitary orbits of normal elements.We show that the distance between unitary orbits of normal elements of simple C^(*)-algebras of tracial rank no more than k has a lower bound.Furthermore,if k≤1 and normal elements are commuting,then the lower bound will be better.Another result establishes a connection involving the spectrum distance operator Dc between a C^(*)-algebra of stable rank one C^(*)-algebra and its hereditary C^(*)-subalgebra.
基金Supported by the National Natural Science Foundation of China(No.82388101,No.81930024)the Science and Technology Commission of Shanghai(No.22YS1400400,No.20DZ2270800).
文摘Dear Editor,Idiopathic orbital inflammation(IOI),also known as orbital inflammatory pseudotumor,is a relatively common orbital disorder[1].Its pathogenesis remains unclear,often regarded as a nonspecific immune-mediated response[2].IOI presents with symptoms such as pain,photophobia,proptosis,eyelid swelling,edema,conjunctival congestion,and diplopia,with possible vision loss occurring in some cases.Based on the soft tissue structures involved,IOI can be classified into subtypes such as myositis,optic neuritis,dacryoadenitis,diffuse orbital inflammation,and orbital inflammatory masses[2].
基金supported by the National Key R&D Pro-gram of China:Gravitational Wave Detection Project(Nos.2021YFC2026,2021YFC2202601,2021YFC2202603)the National Natural Science Foundation of China(Nos.12172288 and 12472046)。
文摘The problem of maneuvering for a servicing spacecraft(inspector)to inspect a noncooperative spacecraft(evader)in cislunar space is investigated in this paper.The evader,which may be a malfunctioning or uncontrolled satellite,introduces uncertainties due to its potential maneuvering capabilities.To address this challenge,the scenario is modeled as a special orbital game,incorporating the unique complexities of the cislunar environment.A variable-duration,turn-based inspection and anti-inspection game model is designed.The model defines both players'rules,constraints,and victory conditions,providing a framework for non-cooperative inspection.Strategies for both players are developed and validated based on their dynamical properties.The inspector's strategy integrates two-body Lambert transfers with shooting methods,while the evader's strategy aims to maximize the inspector's fuel consumption.Simulation results show that the evader's optimal strategy involves deliberate fluctuations in its lunar periapsis altitude,with the inspector's requiredΔV up to eight times greater than the evader's.The impact of game constraints is evaluated,and the effectiveness of deploying the inspector in low lunar orbit is compared with the inspector at the Earth-Moon Lagrange point L1.The strengths and weaknesses of both are shown.These findings provide valuable insights for future orbital servicing and orbital games.
基金supported by the Operation,Maintenance and Upgrading Fund for Astronomical Telescopes and Facility Instruments,budgeted from the Ministry of Finance of China(MOF)and administrated by the Chinese Academy of Sciences(CAS)the National Natural Science Foundation of China(Nos.12173093 and 11973094)the science research grants from the China Manned Space Project(No.CMS-CSST-2021-B08).
文摘Most small bodies in the solar system have low orbital inclinations,concentrated near the ecliptic plane.However,some small bodies exhibit high orbital inclinations(i>20°)and are referred to as high-inclination small bodies.The discovery and study of these high-inclination objects are reshaping traditional understanding and challenging classical dynamical models.With the advancement of wide-field sky survey projects,an increasing number of small bodies with high-inclination and even retrograde orbits have been observed.Their unique orbital configurations suggest complex formation mechanisms and evolutionary histories.High-inclination small bodies differ significantly from ecliptic plane objects in terms of surface composition,size distribution,and dynamical behavior.Their formation mechanisms involve various pathways,such as gravitational perturbations and planetary scattering,resonance capture and inclination excitation,and the influence of potential Planet Nine.These objects not only serve as"fossil records"of the early evolution of the solar system but also provide new research perspectives for planetary formation theories,interstellar material exchange,and deep-space resource exploration.
基金supported by the National Key R&D Programof China:Gravitational Wave Detection Project(Grant Nos.2021YFC2026,2021YFC2202601,2021YFC2202603)the Na-tional Natural Science Foundation of China(Grant Nos.12172288and 12472046)。
文摘This paper proposes a threat assessment framework for non-cooperative satellites by analyzing their motion characteristics,developing a quantitative evaluation methodology,and demonstrating its effectiveness via representative scenarios with neural network acceleration.The framework first establishes a threat evaluation model that integrates three core parameters:capability,opportunity,and hidden values.Subsequently,this research systematically investigates the critical role of transfer windows in threat quantification and introduces a transfer window-based threat assessment approach.The proposed methodology is validated through multiple representative scenarios,with simulation results demonstrating superior performance compared to conventional methods relying solely on optimal transfer windows or minimum distance metrics,enabling more nuanced threat ranking in scenarios where traditional techniques prove inadequate.To address computational demands,a neural networkbased approximation system is implemented to achieve a 25,200×speedup(0.005 s vs.baseline 126 s per 1000-sample batch)through parallel processing,maintaining 99.3%accuracy.Finally,the study explores the framework's extensibility to diverse NCS objectives.It identifies discrepancies between intention inference models and threat evaluation paradigms,providing methodological insights for next-generation space domain awareness systems.
文摘This letter reports a gravitational redshift measurement experiment using a satellite-based compact passive hydrogen maser(PHM)in a lunar distant retrograde orbit(DRO).In March 2024,the Chinese Academy of Sciences launched the DRO-A/B twin satellites,which entered a DRO in July 2024.This orbit has a geocentric distance of approximately 300,000–450,000 kilometers and a 2:1 resonance ratio.Employing microwave dual one-way ranging(DOWR),satellite-ground time-frequency comparisons were successfully achieved in April 2025 using the PHM aboard the DRO-A satellite.This study validated the in-orbit performance of the compact PHM and supported tests of the Einstein Equivalence Principle.The gravitational redshift measurement result is(8.74±4.17)×10^(−3).As the world’s first fundamental physics experiment to deploy PHMs in a lunar DRO,this study provides significant new engineering approaches for testing gravitational theories in cislunar space.
基金financial support of the National Natural Science Foundation of China (21875247,21072221, 21172252)the Project of Talent Cultivation for Carbon Peak and Carbon Neutrality of the University of Chinese of Academy of Science
文摘The design and fabrication of ordered epitaxial MOF-on-MOF heterostructures as highly efficient electrocatalysts for water splitting is crucial but still challenging.In this study,a simple coordination-driven self-assembly method is used to fabricate controllable MOF-on-MOF multiscale heterostructures,where triangular host MOF(ZIF-67)nanosheets undergo in situ epitaxial growth to form uniform orthogonal vip MOF(CoFe PBA)nanosheets.Phosphorus(P)is further introduced in situ to fabricate CoP and Fe_(2)P heterostructured nanosheets(CoFe-P-NS),which exhibit excellent bifunctional electrocatalytic performance due to the enhancement of intrinsic electrocatalytic activity by p-d orbital hybridization.Specifically,the CoFe-P-NS requires low overpotential of 259 and 307 mV to reach 500 mA cm−2 for HER and OER,respectively.Remarkably,the assembled electrolysis cell maintained a large current density of 300 mA cm−2 for over 360 h with negligible voltage increase during alkaline seawater electrolysis.Experiments and theoretical calculations show that the synergistic catalytic activity of bimetallic phosphides arises from p-d orbital hybridization,where the CoP-P sites enhance HER by optimizing H*adsorption in the Volmer-Heyrovsky steps,while the Fe_(2)P-Fe sites accelerate OER by lowering the energy barrier of the rate-determining step from O*to OOH*.This study provides valuable insights into the design of a controllable MOF-on-MOF-based electrocatalyst toward alkaline seawater splitting.
基金Supported by the National Key R&D Program of China(No.2023YFC2410203)Beijing Hospitals Authority Clinical Medicine Development of Special Funding Support(No.ZLRK202503).
文摘AIM:To investigate the clinical features and prognosis of patients with orbital inflammatory myofibroblastic tumor(IMT).METHODS:This retrospective study collected clinical data from 22 patients diagnosed with orbital IMT based on histopathological examination.The patients were followed up to assess their prognosis.Clinical data from patients,including age,gender,course of disease,past medical history,primary symptoms,ophthalmologic examination findings,general condition,as well as imaging,laboratory,histopathological,and immunohistochemical results from digital records were collected.Orbital magnetic resonance imaging(MRI)and(or)computed tomography(CT)scans were performed to assess bone destruction of the mass,invasion of surrounding tissues,and any inflammatory changes in periorbital areas.RESULTS:The mean age of patients with orbital IMT was 28.24±3.30y,with a male-to-female ratio of 1.2:1.Main clinical manifestations were proptosis,blurred vision,palpable mass,and pain.Bone destruction and surrounding tissue invasion occurred in 72.73%and 54.55%of cases,respectively.Inflammatory changes in the periorbital site were observed in 77.27%of the patients.Hematoxylin and eosin staining showed proliferation of fibroblasts and myofibroblasts,accompanied by infiltration of lymphocytes and plasma cells.Immunohistochemical staining revealed that smooth muscle actin(SMA)and vimentin were positive in 100%of cases,while anaplastic lymphoma kinase(ALK)showed positivity in 47.37%.The recurrence rate of orbital IMT was 27.27%,and sarcomatous degeneration could occur.There were no significant correlations between recurrence and factors such as age,gender,laterality,duration of the disease,periorbital tissue invasion,bone destruction,periorbital inflammation,tumor size,fever,leukocytosis,or treatment(P>0.05).However,lymphadenopathy and a Ki-67 index of 10%or higher may be risk factors for recurrence(P=0.046;P=0.023).CONCLUSION:Orbital IMT is a locally invasive disease that may recur or lead to sarcomatoid degeneration,primarily affecting young and middle-aged patients.The presence of lymphadenopathy and a Ki-67 index of 10%or higher may signify a poor prognosis.
文摘BACKGROUND:Maxillofacial trauma represents a significant challenge in emergency medicine,requiring both diagnostic accuracy and prompt intervention while balancing immediate life-saving interventions with preservation of function and aesthetics.The complex anatomy of this region,with its proximity to critical structures,demands a thorough understanding of assessment and management principles.This narrative review aims to provide evidence-based guidelines for emergency physicians managing maxillofacial trauma,with particular emphasis on early recognition of critical injuries,airway management strategies,and special population considerations.METHODS:A narrative review was conducted via a comprehensive literature search of the PubMed and Scopus databases,which focused on maxillofacial trauma management in emergency settings.Articles were selected based on relevance to clinical practice,methodological quality,and current management guidelines.The review synthesized evidence from multiple study types,including original research,systematic reviews,and clinical practice guidelines,to provide practical guidance for emergency physicians.RESULTS:Initial assessment following Advanced Trauma Life Support(ATLS)principles is crucial,with airway management being a primary concern due to the risk of dynamic obstruction.Critical time-sensitive emergencies include orbital compartment syndrome,trapdoor fractures(in pediatric patients),and facial nerve injuries.Computed tomography(CT)imaging remains the gold standard for diagnosis.Special considerations are required for pediatric patients,who present unique anatomical challenges and injury patterns,and for elderly patients,who often have complex medical comorbidities and increased complication risks.Management strategies range from conservative treatment to urgent surgical intervention,with decisions based on the injury pattern and associated complications.CONCLUSION:Emergency physicians must maintain a structured yet fl exible approach to maxillofacial trauma,focusing on early recognition of critical injuries,appropriate airway management,and timely specialist consultation.Understanding injury patterns and their potential complications allows for eff ective risk stratifi cation and treatment planning,ultimately improving patient outcomes.
基金supported by the Natural Science Foundation of Jiangsu Province(BK20250050)the National Natural Science Foundation of China(22472111,12275189)+4 种基金the National Key Research Program of China(2022YFA1503101)the Postdoctoral Fellowship Program of CPSF(GZC20250614)Jiangsu Funding Program for Excellent Postdoctoral Talent(2025ZB299)Collaborative Innovation Center of Suzhou Nano Science&Technologythe 111 Project。
文摘Lithium-sulfur(Li-S)batteries hold great promise for high-energy–density energy storage applications but are plagued by the severe shuttle effect and sluggish conversion kinetics of lithium polysulfides(Li PSs).We herein report a d-p-f orbital coupling strategy to tackle these critical challenges by incorporating Eu 4f orbitals to activate both metallic(Ni)and non-metallic(Se)sites of Ni Se.The imported Eu atoms could induce essential Ni 3d and Se 4p orbital reconstruction through gradient d-p-f coupling,thereby optimizing the band center alignment between Ni Se and Li PSs.Such electronic reconstruction strengthens both d-p hybridization between Ni and Li PSs and s-p hybridization between Se and Li PSs,which can not only enhance the chemisorption affinity toward Li PSs but also accelerate interfacial charge transfer kinetics,leading to suppressed shuttle effect and boosted Li PSs conversion kinetics.Therefore,the Li-S batteries assembled with Eu incorporated Ni Se deliver exceptional electrochemical performance with a high specific capacity of 896.2 m Ah g^(-1)at 4 C and a retained areal capacity of 5.66 m Ah cm^(-2)under a high sulfur loading of 5.94 mg cm^(-2)after 100 cycles.This work underscores the critical role of rare-earth 4f orbital coupling for modulating the active sites to construct high-efficiency electrocatalysts for Li-S batteries and beyond.
基金Supported by The National Natural Science Foundation of China(No.82101180)the Fund for Beijing Science&Technology Development of TCM(No.BJZYYB-2023-17)the Beijing Municipal Natural Science Foundation grant(No.7252093).
文摘AIM:To define the prevalence and anatomical patterns of paranasal sinus abnormalities(PSA)in thyroid-associated ophthalmopathy(TAO)and to test the hypothesis that TAO is partially driven by contiguous orbital inflammation rather than systemic autoimmunity or generalized orbital pressure.METHODS:Data included ophthalmic assessments and a panel of thyroid function and autoimmune biomarkers.Blinded radiological analysis of orbital computed tomography(CT)scans was performed to quantify sinus abnormalities and extraocular muscles(EOMs)involvement.Patients were categorized into two groups based on CT findings,those with no radiological evidence of sinus abnormalities(non-PSA control group)and those with identifiable PSA.Furthermore,ethmoid sinus mucosal biopsies from a subset of TAO patients and noninflammatory controls were subjected to histopathological analysis.RESULTS:Totally 121 TAO patients(mean age 42.4±12.8y,range 10-78y),male:female=42:79,were included.PSA was identified in 44.6%(n=54)of patients,with a distribution anatomically restricted to the maxillary(50.0%isolated)and ethmoid sinuses(18.5%isolated;29.6%combined).Compared to the non-PSA group(n=67),patients with PSA were significantly older(45.1±11.8 vs 40.3±13.2y;P=0.040)and were more likely to be male(55.6%vs 17.9%;P<0.001).They also had significantly higher proptosis(22.1±3.2 vs 20.7±2.9 mm;P<0.001).Medial/inferior rectus involvement was most frequent(88.4%vs 89.3%).Histopathological analysis of sinus mucosa from PSA patients provided direct evidence of pathology,revealing a dense,chronic lymphoplasmacytic infiltrate and submucosal edema,validating the radiological findings as a true inflammatory process.No significant correlation was found with systemic autoimmune markers,including thyroid-stimulating hormone(TSH)receptor antibodies(TRAb,median 4.86 vs 2.71 IU/L,P=0.104).CONCLUSION:TAO is associated with a high prevalence of PSA in a pattern consistent with the orbital anatomy.The correlation with ipsilateral muscle thickening combined with the lack of association with proptosis laterality or systemic biomarkers lend strong support to a model of contiguous inflammation over systemic autoimmunity,a hypothesis that warrants further validation through longitudinal and mechanistic studies.
基金supported by the National Key Research and Development Program of China(Grant Nos.2023YFA1406600 and 2021YFA1202200)。
文摘First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties of a wide variety of materials.Among different implementations of DFT,the plane-wave method is widely used for periodic systems because of its high accuracy.However,this method typically requires a large number of basis functions for large systems,leading to high computational costs.Localized basis sets,such as the muffin-tin orbital(MTO)method,have been introduced to provide a more efficient description of electronic structure with a reduced basis set,albeit at the cost of reduced computational accuracy.In this work,we propose an optimization strategy using machine-learning techniques to automate MTO basis-set parameters,thereby improving the accuracy and efficiency of MTO-based calculations.Default MTO parameter settings primarily focus on lattice structure and give less consideration to element-specific differences.In contrast,our optimized parameters incorporate both structural and elemental information.Based on these converged parameters,we successfully recovered missing bands for CrTe_(2).For the other three materials—Si,GaAs,and CrI_(3)—we achieved band improvements of up to 2 e V.Furthermore,the generalization of the machine-learned method is validated by perturbation,strain,and elemental substitution,resulting in improved band structures.Additionally,lattice-constant optimization for Ga As using the converged parameters yields closer agreement with experiment.
基金support from the Heilongjiang Province"Double First Class"Discipline Collaborative Innovation Project(No.LJGXCG2023-061).
文摘Hard carbon is a vital anode material for sodium-ion batteries;however,the nonuniform growth of solid electrolyte interphase(SEI)film substantially diminishes its initial coulombic efficiency(ICE)and cycle life.The chemical and morphological properties of surface highly influence the electrode/electrolyte interfacial reactions.In this study,we have tuned orbital hybridization states forming an interface enriched with sp^(2) hybridized carbon(sp^(2)-C),which decreases the binding energy to solvent molecules and inhibits excessive solvent decomposition during SEI formation.Benefiting from successfully constructed inorganic-rich SEI,the ICE increased to 91%and sodium storage capacity reached 346 mAh/g.Besides,the capacity retention rate was 90.7%after 700 cycles at 1 A/g higher than pristine electrode(83.8%).
基金Project supported by the National Natural Science Foundation of China(No.11732006)the China Scholarship Council。
文摘The complex chaotic behavior of a quasi-zero-stiffness(QZS)double-winged system with symmetric impact boundaries is investigated with Melnikov functions and numerical simulations.The analysis reveals the coexistence of multiple attractors.As a key mass parameter varies,the mechanism underlying degenerate singular closed orbits is elucidated,based upon which five distinct types of singular closed orbits are discovered,exhibiting both smooth and discontinuous(SD)characteristics.The chaotic threshold of each singular orbit is obtained by Melnikov functions and verified by numerical simulations.The numerical results further demonstrate the coexistence of SD motions.For zero damping systems,the Kolmogorov-Arnold-Moser(KAM)structures are exhibited to present the complex quasi-periodic and resonant behavior coexisting with chaotic and periodic motions.These findings advance the understanding of chaotic dynamics in nonsmooth multi-well impact systems.
文摘Dear Editor,As space exploration transitions from short orbital missions to extended stays on the International Space Station(ISS)and,ultimately,interplanetary travel,astronaut health has emerged as a critical focus.In particular,safeguarding cardiovascular function has become an operational imperative.Yet beyond safeguarding those in orbit,the physiological adaptations observed in microgravity offer a compelling lens through which to examine persistent challenges in terrestrial medicine,from orthostatic intolerance in the elderly to deconditioning in critical care survivors.By studying how the human cardiovascular system functions in the absence of gravity.
基金supported by the National Key Research and Development Program of China (Grant No.2023YFA1406301)the National Natural Science Foundation of China (Grant Nos.52250308 and 52525205)。
文摘Band inversion induced by spin–orbit coupling in topological semimetals typically generates light charge carriers with high Fermi velocities,which are highly desirable for low-dissipation and coherent quantum transport in topological devices.The presence of these carriers in real materials strongly depends on the Fermi-level position.2M-WSe_(2),with its topological and van der Waals nature,serves as an ideal platform for studying quantum transport in two-dimensional systems,despite the fact that interlayer coupling suppresses the formation of light carriers.In this study,we solvothermally intercalate 1,3-diaminopropane molecules into the interlayer space of 2M-WSe_(2);these molecules effectively adapt to the electronic structure by eliminating interlayer coupling.Simultaneously,slight electron doping via charge transfer results in a small Fermi pocket with an extremely light effective mass,0.04–0.06 me,as revealed by quantum oscillation measurements.This study demonstrates that molecular intercalation is an effective approach for engineering van der Waals topological materials to achieve specific quantum transport properties.
基金supported by the National Natural Science Foundation of China(32302258,32172317)the Science and Technology Innovation Program of Hunan Province(2024RC3185)+1 种基金Hunan Provincial Natural Science Foundation of China(2023JJ40317)Changsha Municipal Natural Science Foundation(kq2202223).
文摘This study investigated the suppressive effects of Armoracia rusticana(AR)and its three main glucosinolates on both free and bound heterocyclic amines(HAs),along with their mechanisms of free radical quenching using density functional theory.Fish patties were supplemented with varying concentrations of AR(0.5%‒1.5%)and glucosinolates(0.005%‒0.015%),showing a dose-dependent inhibition of HAs and concurrent elimination of free radicals and HAs intermediates.Glucobrassicin demonstrated the highest reactivity,which was verified by frontier orbit analysis and conceptual density functional parameters,consistent with experimental findings.Furthermore,the O-H bond connected to the sulfur atom of glucobrassicin possessed the smallest bond dissociation enthalpy(BDE)value,which indicated that this particular hydrogen atom is most susceptible to react with free radicals.Overall,AR and its glucosinolates,especially glucobrassicin,show promise as natural additives for improving food safety and quality.
