The isospin splitting of the Dirac mass obtained using the relativistic Brueckner-Hartree-Fock(RBHF)theory was thor-oughly investigated.From the perspective in the full Dirac space,the long-standing controversy betwee...The isospin splitting of the Dirac mass obtained using the relativistic Brueckner-Hartree-Fock(RBHF)theory was thor-oughly investigated.From the perspective in the full Dirac space,the long-standing controversy between the momentum-independent approximation(MIA)method and the projection method on the isospin splitting of the Dirac mass in asymmetric nuclear matter was analyzed in detail.We found that the assumption procedure of the MIA method,which assumes that single-particle potentials are momentum independent,is not a sufficient condition that directly leads to the opposite sign of the isospin splitting of the Dirac mass,whereas the extraction procedure of the MIA method,which extracts single-particle potentials from single-particle potential energy,changes the sign.A formal expression of the Dirac mass was obtained by approximately solving a set of equations involved in the extraction procedure.The opposite isospin splitting of the Dirac mass was mainly caused by the extraction procedure,which forcibly assumed that the momentum dependence of the single-particle potential energy was in a quadratic form,in which the strength was solely determined by a constant scalar potential.Improved understanding of the isospin splitting of the Dirac mass from ab initio calculations could enhance our knowledge of neutron-rich systems,such as exotic nuclei and neutron stars.展开更多
Starting with a bare nucleon-nucleon interaction, for the first time the full relativistic Brueckner Hartree-Fock equations are solved for finite nuclei in a Dirac-Woods-Saxon basis. No free parameters are introduced ...Starting with a bare nucleon-nucleon interaction, for the first time the full relativistic Brueckner Hartree-Fock equations are solved for finite nuclei in a Dirac-Woods-Saxon basis. No free parameters are introduced to calculate the ground-state properties of finite nuclei. The nucleus 160 is investigated as an example. The resulting groundstate properties, such as binding energy and charge radius, are considerably improved as compared with the non-relativistic Brueckner-Hartree-Fock results and much closer to the experimental data. This opens the door for ab initio covariant investigations of heavy nuclei.展开更多
Relativistic Hartree-Fock equations are derived for an infinite system ofmesons and baryons based on thermo field dynamics and Walecka’s model.The proper-ties of nuclear and neutron matter are studied for various tem...Relativistic Hartree-Fock equations are derived for an infinite system ofmesons and baryons based on thermo field dynamics and Walecka’s model.The proper-ties of nuclear and neutron matter are studied for various temperatures and densities.展开更多
Validity of adiabatic assumption is discussed within the constrained Hartree-Fock theory for self-conjugate nucleus ~(72)Kr.It is shown that the adiabatic assumption does not provide a correct description for the natu...Validity of adiabatic assumption is discussed within the constrained Hartree-Fock theory for self-conjugate nucleus ~(72)Kr.It is shown that the adiabatic assumption does not provide a correct description for the nature of nucleus when a configuration change is involved.The excited Hartree-Fock states and the continuously-connected constrained Hartree-Fock states are given for the first time by applying the configuration dictated constrained Hartree-Fock theory with Gogny force.The importance of self-consistency between the mean-field and the single particle wave functions is emphasized even when a small number of nucleons are involved in the configuration change.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
Though the formation of polysulfide is desirable,as it contributes to the capacity build-up,it must not leak into the electrolyte.The loss of polysulfide causes capacity fade,a change in the local chemistry of the ele...Though the formation of polysulfide is desirable,as it contributes to the capacity build-up,it must not leak into the electrolyte.The loss of polysulfide causes capacity fade,a change in the local chemistry of the electrolyte,and anode poisoning.Constant efforts are in progress to find suitable polysulfide-absorbing materials;however,the magical polysulfide absorber is yet to be discovered or developed.Experimental methods alone often fall short in accelerating the investigations may be due to the complex Nature of the testing.This review focuses on the importance of computational methods,particularly density functional theory(DFT),in screening suitable polysulfide absorbers.It highlights the critical role of anchoring materials in improving Na-S battery performance,including pristine and doped graphene,metal–organic frameworks,carbon Nanofibers,vanadium disulfide,MXenes,and metal sulfides.By examining adsorption energies,charge transfer mechanisms,and catalytic properties,this review provides insights into the design of advanced materials that can effectively immobilize polysulfides and enhance battery stability.The review aims to guide future research efforts toward the development of high-performance RT Na-S batteries through a comprehensive understanding of the polysulfide-absorbing materials.展开更多
The effective early warning of surrounding rock mass deformation is crucial in geotechnical engineering for ensuring the safety and stability of underground constructions.This study introduces a novel risk early warni...The effective early warning of surrounding rock mass deformation is crucial in geotechnical engineering for ensuring the safety and stability of underground constructions.This study introduces a novel risk early warning model based on multi-parameter fuzzy comprehensive evaluation,which quantitatively assesses the risk state of the surrounding rock mass.The microseismic(MS)monitoring system is set up for the underground powerhouse.The spatial and temporal distribution of MS events and the frequency characteristics of MS signals are analyzed during the top arch excavation.The early warning indices for characterizing MS spatial aggregation and frequency-energy dispersion are proposed based on the octree theory to assess the deformation of the surrounding rock mass.The risk warning model for the surrounding rock mass in underground engineering is developed through the integration of the formulated index and the frequency characteristics of MS signals.The results indicate that the multiparameter fuzzy comprehensive assessment model can achieve three-dimensional visualization of risk warnings for the surrounding rock mass.The quantitative results regarding warning time and potential deformation areas are highly consistent with the characteristics of MS precursors.These research results can provide an important reference for early warning of surrounding rock mass risk in similar underground projects.展开更多
Human life is not determined by mechanical fatalism or a single material factor;instead,based on the dualistic ontology and active force mechanism in the Unified Complex Systems Theory(UCST),it can be actively designe...Human life is not determined by mechanical fatalism or a single material factor;instead,based on the dualistic ontology and active force mechanism in the Unified Complex Systems Theory(UCST),it can be actively designed under the guidance of mind,in accordance with causal laws,and through systematic interactions.This study integrates the dualistic ontology of UCST,as well as the cooperative mechanism of active force(Fa)and passive force(Fp).Furthermore,by incorporating Master Jiqun’s philosophy of“life design”and the practical principle of“destiny establishment and transformation”from The Four Lessons of Liaofan Yuan,it constructs a three-dimensional framework for life design encompassing the dimensions of science,philosophy,and practice.The significance of this research lies in breaking through the predicament of materialism in the AI(artificial intelligence)era,explaining the autonomy and initiative of life,providing feasible pathways for life design,and ultimately achieving the in-depth integration of scientific rationality and the wisdom of traditional Eastern culture.展开更多
Objective To develop a dual-branch deep learning framework for accurate multi-label classification of fundus diseases,addressing the key limitations of insufficient complementary feature extraction and inadequate cros...Objective To develop a dual-branch deep learning framework for accurate multi-label classification of fundus diseases,addressing the key limitations of insufficient complementary feature extraction and inadequate cross-modal feature fusion in existing automated diagnostic methods.Methods The fundus multi-label classification dataset with 12 disease categories(FMLC-12)dataset was constructed by integrating complementary samples from Ocular Disease Intelligent Recognition(ODIR)and Retinal Fundus Multi-Disease Image Dataset(RFMiD),yielding 6936 fundus images across 12 retinal pathology categories,and the framework was validated on both FMLC-12 and ODIR.Inspired by the holistic multi-regional assessment principle of the Five Wheels theory in traditional Chinese medicine(TCM)ophthalmology,the dualbranch multi-label network(DBMNet)was developed as a novel framework integrating complementary visual feature extraction with pathological correlation modeling.The architecture employed a TransNeXt backbone within a dual-branch design:one branch processed redgreen-blue(RGB)images to capture color-dependent features,such as vascular patterns and lesion morphology,while the other processed grayscale-converted images to enhance subtle textural details and contrast variations.A feature interaction module(FIM)effectively integrated the multi-scale features from both branches.Comprehensive ablation studies were conducted to evaluate the contributions of the dual-branch architecture and the FIM.The performance of DBMNet was compared against four state-of-the-art methods,including EfficientNet Ensemble,transfer learning-based convolutional neural network(CNN),BFENet,and EyeDeep-Net,using mean average precision(mAP),F1-score,and Cohen's kappa coefficient.Results The dual-branch architecture improved mAP by 15.44 percentage points over the single-branch TransNeXt baseline,increasing from 34.41%to 44.24%,and the addition of FIM further boosted mAP to 49.85%.On FMLC-12,DBMNet achieved an mAP of 49.85%,a Cohen’s kappa coefficient of 62.14%,and an F1-score of 70.21%.Compared with BFENet(mAP:45.42%,kappa:46.64%,F1-score:71.34%),DBMNet outperformed it by 4.43 percentage points in mAP and 15.50 percentage points in kappa,while BFENet achieved a marginally higher F1-score.On ODIR,DBMNet achieved an F1-score of 85.50%,comparable to state-of-the-art methods.Conclusion DBMNet effectively integrates RGB and grayscale visual modalities through a dual-branch architecture,significantly improving multi-label fundus disease classification.The framework not only addresses the issue of insufficient feature fusion in existing methods but also demonstrates outstanding performance in balancing detection across both common and rare diseases,providing a promising and clinically applicable pathway for standardized,intelligent fundus disease classification.展开更多
Objective:To observe the efficacy and safety of TCM syndrome differentiation-guided herbal intervention for patients with five constitutions during the high-risk window period of acute exacerbation of chronic obstruct...Objective:To observe the efficacy and safety of TCM syndrome differentiation-guided herbal intervention for patients with five constitutions during the high-risk window period of acute exacerbation of chronic obstructive pulmonary disease(AECOPD)based on TCM constitution theory.Methods:A total of 300 AECOPD patients in the high-risk window period(54-66 cases for each constitution)were randomly divided into two groups(150 cases each).The control group received fluticasone furoate/umeclidinium/vilanterol inhalation therapy,while the experimental group was additionally given constitution-specific TCM decoctions(e.g.,Erchen Decoction combined with Sanzi Yangqin Decoction for Phlegm-Dampness constitution).The treatment course was 8 weeks with a 6-month follow-up.CAT score,TCM syndrome score,pulmonary function,6-minute walking distance(6MWD),and levels of CRP and IL-6 were observed.Recurrence and safety indicators were recorded.Results:After treatment,all indicators improved significantly in both groups(p<0.05),with the experimental group showing superior improvements in CAT score,TCM syndrome score,FEV1,6MWD,and inflammatory indicators(p<0.01).The recurrence rate was lower in the experimental group during follow-up(p<0.05).No severe adverse reactions or abnormalities in liver/kidney function were observed in either group.Conclusion:TCM syndrome differentiation treatment guided by constitution theory can improve symptoms,quality of life,and pulmonary function,reduce inflammatory levels and recurrence rate in AECOPD patients during the high-risk window period,with good safety.展开更多
In-situ stress is a key parameter for underground mine design and rock stability analysis.The borehole overcoring technique is widely used for in-situ stress measurement,but the rheological recovery deformation of roc...In-situ stress is a key parameter for underground mine design and rock stability analysis.The borehole overcoring technique is widely used for in-situ stress measurement,but the rheological recovery deformation of rocks after stress relief introduces errors.To improve accuracy,this study proposes an in-situ stress solution theory that incorporates time-dependent stress relief effects.Triaxial stepwise loadingunloading rheological tests on granite and siltstone established quantitative relationships between instantaneous elastic recovery and viscoelastic recovery under different stress levels,confirming their impact on measurement accuracy.By integrating a dual-class elastic deformation recovery model,an improved in-situ stress solution theory was derived.Additionally,accounting for the nonlinear characteristics of rock masses,a determination method for time-dependent nonlinear mechanical parameters was proposed.Based on the CSIRO hollow inclusion strain cell,time-dependent strain correction equations and long-term confining pressure calibration equations were formulated.Finally,the proposed theory was successfully applied at one iron mine(736 m depth)in Xinjiang,China,and one coal mine(510 m depth)in Ningxia,China.Compared to classical theory,the calculated mean stress values showed accuracy improvements of 6.0%and 9.4%,respectively,validating the applicability and reliability of the proposed theory.展开更多
As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency...As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.展开更多
The equation of state of neutron stars is studied in the newly developed density dependent relativistic Hartree-Fock (DDRHF) theory with the effective interaction PKO1 and applied to describe the properties of neutron...The equation of state of neutron stars is studied in the newly developed density dependent relativistic Hartree-Fock (DDRHF) theory with the effective interaction PKO1 and applied to describe the properties of neutron stars. The results are compared with the recent observational data of compact stars and those calculated with the relativistic mean field (RMF) effective interactions. The maximum mass of neutron stars calculated with PKO1 is about 2.45 M ⊙, which consists with high pulsar mass from PSR B1516+02B recently reported. The influence of Fock terms on the cooling of neutron stars is discussed as well.展开更多
Leadership is a complex process.It is one of the most researched areas around the world.It has gained importance in every walk of life from politics to business and from education to social organizations.According to ...Leadership is a complex process.It is one of the most researched areas around the world.It has gained importance in every walk of life from politics to business and from education to social organizations.According to the study of"Leadership in Adult Education Venues",here has a much more clear recognition of leadership:leadership is a process whereby an individual influences a group of individuals to achieve a common goal.There are many approaches of leadership throughout the study of this class,the three theories of leadership I choose to describe in this paper are:Leader-Member Exchange(LMX)Theory,Transformational Leadership,and Team Leadership.展开更多
The role of tensor force on the collision dynamics of16O+16O is investigated in the framework of a fully three-dimensional timedependent Hartree-Fock theory.The calculations are performed with modern Skyrme energy fun...The role of tensor force on the collision dynamics of16O+16O is investigated in the framework of a fully three-dimensional timedependent Hartree-Fock theory.The calculations are performed with modern Skyrme energy functional plus tensor terms.Particular attention is given on the analysis of dissipation dynamics in heavy-ion collisions.The energy dissipation is found to decrease as an initial bombarding energy increases in deep-inelastic collisions for all the Skyrme parameter sets studied here because of the competition between the collective motion and the single-particle degrees of freedom.We reveal that the tensor forces may either enhance or reduce the energy dissipation depending on the different parameter sets.The fusion cross section without tensor force overestimates the experimental value by about 25%,while the calculation with tensor force T11 has good agreement with experimental cross section.展开更多
内斯比特(KateNesbitt)在她的Theorizing A New Agenda for Architecture,An Anthology of Architectural Theory,1965～1995一书中较为全面地介绍了当代西方建筑理论界所关心的主要问题及其相关的思考。对于这些问题,国内建筑理论界也...内斯比特(KateNesbitt)在她的Theorizing A New Agenda for Architecture,An Anthology of Architectural Theory,1965～1995一书中较为全面地介绍了当代西方建筑理论界所关心的主要问题及其相关的思考。对于这些问题,国内建筑理论界也有自己的认识。该文通过对两者的比较,试图理清建筑理论的基本意义,那就是提出问题并引起思考。展开更多
The purpose is to reestablish the balance laws of momentum, angular momentum and energy and to derive the corresponding local and nonlocal balance equations for micromorphic continuum mechanics and couple stress theor...The purpose is to reestablish the balance laws of momentum, angular momentum and energy and to derive the corresponding local and nonlocal balance equations for micromorphic continuum mechanics and couple stress theory. The desired results for micromorphic continuum mechanics and couple stress theory are naturally obtained via direct transitions and reductions from the coupled conservation law of energy for micropolar continuum theory, respectively. The basic balance laws and equations for micromorphic continuum mechanics and couple stress theory are constituted by combining these results derived here and the traditional conservation laws and equations of mass and microinertia and the entropy inequality. The incomplete degrees of the former related continuum theories are clarified. Finally, some special cases are conveniently derived.展开更多
This study involves initial Hartree-Fock and Density Functional theory calculations onthe molecular recognition of the cyclodextrins. The α-cyclodextrin-acetophenone complexationsystem was investigated with PM3, HF/...This study involves initial Hartree-Fock and Density Functional theory calculations onthe molecular recognition of the cyclodextrins. The α-cyclodextrin-acetophenone complexationsystem was investigated with PM3, HF/3-21G* and B3LYP/3-21G* methods. The results indicatedthat the inclusion orientation in which the acetyl group of the acetophenone points towards thesecondary hydroxyls of the a-cyclodextrin was preferable in energy. The steric effect wassupposed as the physical reason of such a behavior Hence, the simple rule the anti-parallelarrangement of the dipoles of the host and vip molecules in the cyclodextrin complexqtion is notgenerally applicable.展开更多
The possible exotic nuclear properties in the neutron-rich Ca,Ni,Zr,and Sn isotopes are examined with the continuum Skyrme Hartree-Fock-Bogoliubov theory in the framework of the Green’s function method.The pairing co...The possible exotic nuclear properties in the neutron-rich Ca,Ni,Zr,and Sn isotopes are examined with the continuum Skyrme Hartree-Fock-Bogoliubov theory in the framework of the Green’s function method.The pairing correlation,the couplings with the continuum,and the blocking effects for the unpaired nucleon in odd-A nuclei are properly treated.The Skyrme interaction SLy4 is adopted for the ph channel and the density-dependentinteraction is adopted for the pp chan-nel,which well reproduce the experimental two-neutron separation energies S_(2n)and one-neutron separation energies Sn.It is found that the criterion S_(n)>0 predicts a neutron drip line with neutron numbers much smaller than those for S_(2n)>0.Owing to the unpaired odd neutron,the neutron pairing energies−E_(pair)in odd-A nuclei are much lower than those in the neighbor-ing even-even nuclei.By investigating the single-particle structures,the possible halo structures in the neutron-rich Ca,Ni,and Sn isotopes are predicted,where sharp increases in the root-mean-square(rms)radii with significant deviations from the traditional rA^(1∕3)rule and diffuse spatial density distributions are observed.Analyzing the contributions of various partial waves to the total neutron densityρlj(r)∕ρ(r)reveals that the orbitals located around the Fermi surface-particularly those with small angular momenta-significantly affect the extended nuclear density and large rms radii.The number of neutrons Nλ(N_(0))occupying above the Fermi surfacen(continuum threshold)is discussed,whose evolution as a function of the mass number A in each isotope is consistent with that of the pairing energy,supporting the key role of the pairing correlation in halo phenomena.展开更多
基金supported in part by the China Postdoctoral Science Foundation under grant No.2021M700610the National Natural Science Foundation of China(NSFC)(No.12205030)+1 种基金the Fundamental Research Funds for the Central Universities(No.2024CDJXY022)the Institute for Basic Science(No.IBS-R031-D1).
文摘The isospin splitting of the Dirac mass obtained using the relativistic Brueckner-Hartree-Fock(RBHF)theory was thor-oughly investigated.From the perspective in the full Dirac space,the long-standing controversy between the momentum-independent approximation(MIA)method and the projection method on the isospin splitting of the Dirac mass in asymmetric nuclear matter was analyzed in detail.We found that the assumption procedure of the MIA method,which assumes that single-particle potentials are momentum independent,is not a sufficient condition that directly leads to the opposite sign of the isospin splitting of the Dirac mass,whereas the extraction procedure of the MIA method,which extracts single-particle potentials from single-particle potential energy,changes the sign.A formal expression of the Dirac mass was obtained by approximately solving a set of equations involved in the extraction procedure.The opposite isospin splitting of the Dirac mass was mainly caused by the extraction procedure,which forcibly assumed that the momentum dependence of the single-particle potential energy was in a quadratic form,in which the strength was solely determined by a constant scalar potential.Improved understanding of the isospin splitting of the Dirac mass from ab initio calculations could enhance our knowledge of neutron-rich systems,such as exotic nuclei and neutron stars.
基金Supported by the National Basic Research Program of China No 2013CB834400the National Natural Science Foundation of China under Grants Nos 11175002,11335002,11405090,11375015 and 11621131001+3 种基金the Research Fund for the Doctoral Program of Higher Education under Grant No 20110001110087the DFG cluster of excellence "Origin and Structure of the Universe"(www.universe-cluster.de)the CPSC under Grant No 2012M520100the RIKEN IPA and iTHES projects
文摘Starting with a bare nucleon-nucleon interaction, for the first time the full relativistic Brueckner Hartree-Fock equations are solved for finite nuclei in a Dirac-Woods-Saxon basis. No free parameters are introduced to calculate the ground-state properties of finite nuclei. The nucleus 160 is investigated as an example. The resulting groundstate properties, such as binding energy and charge radius, are considerably improved as compared with the non-relativistic Brueckner-Hartree-Fock results and much closer to the experimental data. This opens the door for ab initio covariant investigations of heavy nuclei.
文摘Relativistic Hartree-Fock equations are derived for an infinite system ofmesons and baryons based on thermo field dynamics and Walecka’s model.The proper-ties of nuclear and neutron matter are studied for various temperatures and densities.
基金The project supported in part by the Japanese Society for the Promotion of Science (JSPS) and National Natural Science Foundation of China as the bilateral program between Japan and China.One of the authors (E.G.Zhao) acknowledges the support by National
文摘Validity of adiabatic assumption is discussed within the constrained Hartree-Fock theory for self-conjugate nucleus ~(72)Kr.It is shown that the adiabatic assumption does not provide a correct description for the nature of nucleus when a configuration change is involved.The excited Hartree-Fock states and the continuously-connected constrained Hartree-Fock states are given for the first time by applying the configuration dictated constrained Hartree-Fock theory with Gogny force.The importance of self-consistency between the mean-field and the single particle wave functions is emphasized even when a small number of nucleons are involved in the configuration change.
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.
基金supported by the Indian Institute of Technology Delhi (IIT Delhi)
文摘Though the formation of polysulfide is desirable,as it contributes to the capacity build-up,it must not leak into the electrolyte.The loss of polysulfide causes capacity fade,a change in the local chemistry of the electrolyte,and anode poisoning.Constant efforts are in progress to find suitable polysulfide-absorbing materials;however,the magical polysulfide absorber is yet to be discovered or developed.Experimental methods alone often fall short in accelerating the investigations may be due to the complex Nature of the testing.This review focuses on the importance of computational methods,particularly density functional theory(DFT),in screening suitable polysulfide absorbers.It highlights the critical role of anchoring materials in improving Na-S battery performance,including pristine and doped graphene,metal–organic frameworks,carbon Nanofibers,vanadium disulfide,MXenes,and metal sulfides.By examining adsorption energies,charge transfer mechanisms,and catalytic properties,this review provides insights into the design of advanced materials that can effectively immobilize polysulfides and enhance battery stability.The review aims to guide future research efforts toward the development of high-performance RT Na-S batteries through a comprehensive understanding of the polysulfide-absorbing materials.
基金support from the Sichuan Science and Technology Program(Grant No.2023NSFSC0812).
文摘The effective early warning of surrounding rock mass deformation is crucial in geotechnical engineering for ensuring the safety and stability of underground constructions.This study introduces a novel risk early warning model based on multi-parameter fuzzy comprehensive evaluation,which quantitatively assesses the risk state of the surrounding rock mass.The microseismic(MS)monitoring system is set up for the underground powerhouse.The spatial and temporal distribution of MS events and the frequency characteristics of MS signals are analyzed during the top arch excavation.The early warning indices for characterizing MS spatial aggregation and frequency-energy dispersion are proposed based on the octree theory to assess the deformation of the surrounding rock mass.The risk warning model for the surrounding rock mass in underground engineering is developed through the integration of the formulated index and the frequency characteristics of MS signals.The results indicate that the multiparameter fuzzy comprehensive assessment model can achieve three-dimensional visualization of risk warnings for the surrounding rock mass.The quantitative results regarding warning time and potential deformation areas are highly consistent with the characteristics of MS precursors.These research results can provide an important reference for early warning of surrounding rock mass risk in similar underground projects.
基金supported by the start-up funding from Westlake University under Grant Number 041030150118 and the scientific research project of Westlake University“Theoretical Research and Demonstration Application of Complex Systems and Deep-Sea Technology(Phase I)”under Grant Number WU2025A006.
文摘Human life is not determined by mechanical fatalism or a single material factor;instead,based on the dualistic ontology and active force mechanism in the Unified Complex Systems Theory(UCST),it can be actively designed under the guidance of mind,in accordance with causal laws,and through systematic interactions.This study integrates the dualistic ontology of UCST,as well as the cooperative mechanism of active force(Fa)and passive force(Fp).Furthermore,by incorporating Master Jiqun’s philosophy of“life design”and the practical principle of“destiny establishment and transformation”from The Four Lessons of Liaofan Yuan,it constructs a three-dimensional framework for life design encompassing the dimensions of science,philosophy,and practice.The significance of this research lies in breaking through the predicament of materialism in the AI(artificial intelligence)era,explaining the autonomy and initiative of life,providing feasible pathways for life design,and ultimately achieving the in-depth integration of scientific rationality and the wisdom of traditional Eastern culture.
基金Natural Science Foundation of Hunan Province(2025JJ90031)Key Research and Development Program of Hunan Province of China(23A0273)Hunan Provincial Administration of Traditional Chinese Medicine(A2023048).
文摘Objective To develop a dual-branch deep learning framework for accurate multi-label classification of fundus diseases,addressing the key limitations of insufficient complementary feature extraction and inadequate cross-modal feature fusion in existing automated diagnostic methods.Methods The fundus multi-label classification dataset with 12 disease categories(FMLC-12)dataset was constructed by integrating complementary samples from Ocular Disease Intelligent Recognition(ODIR)and Retinal Fundus Multi-Disease Image Dataset(RFMiD),yielding 6936 fundus images across 12 retinal pathology categories,and the framework was validated on both FMLC-12 and ODIR.Inspired by the holistic multi-regional assessment principle of the Five Wheels theory in traditional Chinese medicine(TCM)ophthalmology,the dualbranch multi-label network(DBMNet)was developed as a novel framework integrating complementary visual feature extraction with pathological correlation modeling.The architecture employed a TransNeXt backbone within a dual-branch design:one branch processed redgreen-blue(RGB)images to capture color-dependent features,such as vascular patterns and lesion morphology,while the other processed grayscale-converted images to enhance subtle textural details and contrast variations.A feature interaction module(FIM)effectively integrated the multi-scale features from both branches.Comprehensive ablation studies were conducted to evaluate the contributions of the dual-branch architecture and the FIM.The performance of DBMNet was compared against four state-of-the-art methods,including EfficientNet Ensemble,transfer learning-based convolutional neural network(CNN),BFENet,and EyeDeep-Net,using mean average precision(mAP),F1-score,and Cohen's kappa coefficient.Results The dual-branch architecture improved mAP by 15.44 percentage points over the single-branch TransNeXt baseline,increasing from 34.41%to 44.24%,and the addition of FIM further boosted mAP to 49.85%.On FMLC-12,DBMNet achieved an mAP of 49.85%,a Cohen’s kappa coefficient of 62.14%,and an F1-score of 70.21%.Compared with BFENet(mAP:45.42%,kappa:46.64%,F1-score:71.34%),DBMNet outperformed it by 4.43 percentage points in mAP and 15.50 percentage points in kappa,while BFENet achieved a marginally higher F1-score.On ODIR,DBMNet achieved an F1-score of 85.50%,comparable to state-of-the-art methods.Conclusion DBMNet effectively integrates RGB and grayscale visual modalities through a dual-branch architecture,significantly improving multi-label fundus disease classification.The framework not only addresses the issue of insufficient feature fusion in existing methods but also demonstrates outstanding performance in balancing detection across both common and rare diseases,providing a promising and clinically applicable pathway for standardized,intelligent fundus disease classification.
基金Longquan Yi District Health Bureau Project(Project No.:WJKY2023009)。
文摘Objective:To observe the efficacy and safety of TCM syndrome differentiation-guided herbal intervention for patients with five constitutions during the high-risk window period of acute exacerbation of chronic obstructive pulmonary disease(AECOPD)based on TCM constitution theory.Methods:A total of 300 AECOPD patients in the high-risk window period(54-66 cases for each constitution)were randomly divided into two groups(150 cases each).The control group received fluticasone furoate/umeclidinium/vilanterol inhalation therapy,while the experimental group was additionally given constitution-specific TCM decoctions(e.g.,Erchen Decoction combined with Sanzi Yangqin Decoction for Phlegm-Dampness constitution).The treatment course was 8 weeks with a 6-month follow-up.CAT score,TCM syndrome score,pulmonary function,6-minute walking distance(6MWD),and levels of CRP and IL-6 were observed.Recurrence and safety indicators were recorded.Results:After treatment,all indicators improved significantly in both groups(p<0.05),with the experimental group showing superior improvements in CAT score,TCM syndrome score,FEV1,6MWD,and inflammatory indicators(p<0.01).The recurrence rate was lower in the experimental group during follow-up(p<0.05).No severe adverse reactions or abnormalities in liver/kidney function were observed in either group.Conclusion:TCM syndrome differentiation treatment guided by constitution theory can improve symptoms,quality of life,and pulmonary function,reduce inflammatory levels and recurrence rate in AECOPD patients during the high-risk window period,with good safety.
基金supported by the National Science and Technology Major Project of the Ministry of Science and Technology of China(No.2024ZD1700201)the National Natural Science Foundation of China(Nos.U2034206,51974014 and 51574014)+1 种基金the Guangdong Basic and Applied Basic Research Foundation(No.2024A1515011631)the National Key Research and Development Project of China(No.2022YFC3004601)。
文摘In-situ stress is a key parameter for underground mine design and rock stability analysis.The borehole overcoring technique is widely used for in-situ stress measurement,but the rheological recovery deformation of rocks after stress relief introduces errors.To improve accuracy,this study proposes an in-situ stress solution theory that incorporates time-dependent stress relief effects.Triaxial stepwise loadingunloading rheological tests on granite and siltstone established quantitative relationships between instantaneous elastic recovery and viscoelastic recovery under different stress levels,confirming their impact on measurement accuracy.By integrating a dual-class elastic deformation recovery model,an improved in-situ stress solution theory was derived.Additionally,accounting for the nonlinear characteristics of rock masses,a determination method for time-dependent nonlinear mechanical parameters was proposed.Based on the CSIRO hollow inclusion strain cell,time-dependent strain correction equations and long-term confining pressure calibration equations were formulated.Finally,the proposed theory was successfully applied at one iron mine(736 m depth)in Xinjiang,China,and one coal mine(510 m depth)in Ningxia,China.Compared to classical theory,the calculated mean stress values showed accuracy improvements of 6.0%and 9.4%,respectively,validating the applicability and reliability of the proposed theory.
基金support provided by the National Natural Science Foundation of China(No.22273043).
文摘As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.
基金Supported by National Natural Science Foundation of China (10435010, 10775004, 10221003)Major State Basic Research Development Program (2007CB815000)
文摘The equation of state of neutron stars is studied in the newly developed density dependent relativistic Hartree-Fock (DDRHF) theory with the effective interaction PKO1 and applied to describe the properties of neutron stars. The results are compared with the recent observational data of compact stars and those calculated with the relativistic mean field (RMF) effective interactions. The maximum mass of neutron stars calculated with PKO1 is about 2.45 M ⊙, which consists with high pulsar mass from PSR B1516+02B recently reported. The influence of Fock terms on the cooling of neutron stars is discussed as well.
文摘Leadership is a complex process.It is one of the most researched areas around the world.It has gained importance in every walk of life from politics to business and from education to social organizations.According to the study of"Leadership in Adult Education Venues",here has a much more clear recognition of leadership:leadership is a process whereby an individual influences a group of individuals to achieve a common goal.There are many approaches of leadership throughout the study of this class,the three theories of leadership I choose to describe in this paper are:Leader-Member Exchange(LMX)Theory,Transformational Leadership,and Team Leadership.
基金supported by the National Natural Science Foundation of China(Grant Nos.11175252,11121403,11120101005,11211120152 and11275248)the National Key Basic Research Program of China(Grant No.2013CB834400)+2 种基金the Knowledge Innovation Project of the Chinese Academy of Sciences(Grant No.KJCX2-EW-N01)the President Fund of UCASthe Scientific Research Foundation for the Returned Overseas Chinese Scholars,Ministry of Education of China,the Open Project Program of State Key Laboratory of Theoretical Physics and the Institute of Theoretical Physics,Chinese Academy of Sciences,China(Grant No.Y4KF041CJ1)
文摘The role of tensor force on the collision dynamics of16O+16O is investigated in the framework of a fully three-dimensional timedependent Hartree-Fock theory.The calculations are performed with modern Skyrme energy functional plus tensor terms.Particular attention is given on the analysis of dissipation dynamics in heavy-ion collisions.The energy dissipation is found to decrease as an initial bombarding energy increases in deep-inelastic collisions for all the Skyrme parameter sets studied here because of the competition between the collective motion and the single-particle degrees of freedom.We reveal that the tensor forces may either enhance or reduce the energy dissipation depending on the different parameter sets.The fusion cross section without tensor force overestimates the experimental value by about 25%,while the calculation with tensor force T11 has good agreement with experimental cross section.
文摘内斯比特(KateNesbitt)在她的Theorizing A New Agenda for Architecture,An Anthology of Architectural Theory,1965～1995一书中较为全面地介绍了当代西方建筑理论界所关心的主要问题及其相关的思考。对于这些问题,国内建筑理论界也有自己的认识。该文通过对两者的比较,试图理清建筑理论的基本意义,那就是提出问题并引起思考。
文摘The purpose is to reestablish the balance laws of momentum, angular momentum and energy and to derive the corresponding local and nonlocal balance equations for micromorphic continuum mechanics and couple stress theory. The desired results for micromorphic continuum mechanics and couple stress theory are naturally obtained via direct transitions and reductions from the coupled conservation law of energy for micropolar continuum theory, respectively. The basic balance laws and equations for micromorphic continuum mechanics and couple stress theory are constituted by combining these results derived here and the traditional conservation laws and equations of mass and microinertia and the entropy inequality. The incomplete degrees of the former related continuum theories are clarified. Finally, some special cases are conveniently derived.
文摘This study involves initial Hartree-Fock and Density Functional theory calculations onthe molecular recognition of the cyclodextrins. The α-cyclodextrin-acetophenone complexationsystem was investigated with PM3, HF/3-21G* and B3LYP/3-21G* methods. The results indicatedthat the inclusion orientation in which the acetyl group of the acetophenone points towards thesecondary hydroxyls of the a-cyclodextrin was preferable in energy. The steric effect wassupposed as the physical reason of such a behavior Hence, the simple rule the anti-parallelarrangement of the dipoles of the host and vip molecules in the cyclodextrin complexqtion is notgenerally applicable.
基金the National Natural Science Foundation of China(No.U2032141)the Open Project of Guangxi Key Laboratory of Nuclear Physics and Nuclear Technology(No.NLK2022-02)+4 种基金the Central Government Guidance Funds for Local Scientific and Technological Development,China(Guike ZY22096024)the Natural Science Foundation of Henan Province(No.202300410479)the Guizhou Provincial Science and Technology Projects(No.ZK[2022]203)the Foundation of Fundamental Research for Young Teachers of Zhengzhou University(No.JC202041041)the Physics Research and Development Program of Zhengzhou University(No.32410217).
文摘The possible exotic nuclear properties in the neutron-rich Ca,Ni,Zr,and Sn isotopes are examined with the continuum Skyrme Hartree-Fock-Bogoliubov theory in the framework of the Green’s function method.The pairing correlation,the couplings with the continuum,and the blocking effects for the unpaired nucleon in odd-A nuclei are properly treated.The Skyrme interaction SLy4 is adopted for the ph channel and the density-dependentinteraction is adopted for the pp chan-nel,which well reproduce the experimental two-neutron separation energies S_(2n)and one-neutron separation energies Sn.It is found that the criterion S_(n)>0 predicts a neutron drip line with neutron numbers much smaller than those for S_(2n)>0.Owing to the unpaired odd neutron,the neutron pairing energies−E_(pair)in odd-A nuclei are much lower than those in the neighbor-ing even-even nuclei.By investigating the single-particle structures,the possible halo structures in the neutron-rich Ca,Ni,and Sn isotopes are predicted,where sharp increases in the root-mean-square(rms)radii with significant deviations from the traditional rA^(1∕3)rule and diffuse spatial density distributions are observed.Analyzing the contributions of various partial waves to the total neutron densityρlj(r)∕ρ(r)reveals that the orbitals located around the Fermi surface-particularly those with small angular momenta-significantly affect the extended nuclear density and large rms radii.The number of neutrons Nλ(N_(0))occupying above the Fermi surfacen(continuum threshold)is discussed,whose evolution as a function of the mass number A in each isotope is consistent with that of the pairing energy,supporting the key role of the pairing correlation in halo phenomena.
