Inflammatory markers and mediators that affect the development of cardiovascular diseases have been the focus of recent scientific work.Thus,the purpose of this editorial is to promote a critical debate about the arti...Inflammatory markers and mediators that affect the development of cardiovascular diseases have been the focus of recent scientific work.Thus,the purpose of this editorial is to promote a critical debate about the article titled“Nε-carboxymethyl-lysine and inflammatory cytokines,markers,and mediators of coronary artery disease progression in diabetes”,published in the World Journal of Diabetes in 2024.This work directs us to reflect on the role of advanced glycation end products,which are pro-inflammatory products arising from the metabolism of fatty acids and sugars whose main marker in tissues is Nε-carboxymethyllysine(NML).Recent studies have linked high levels of pro-inflammatory agents with the development of coronary artery disease(CAD),especially tumor necrosis factor alpha,interleukins,and C-reactive protein.These inflammatory agents increase the production of reactive oxygen species(ROS),of which people with diabetes are known to have an increased production.The increase in ROS promotes lipid peroxidation,which causes damage to myocytes,promoting myocardial damage.Furthermore,oxidative stress induces the binding of NML to its receptor RAGE,which in turn activates the nuclear factor-kB,and consequently,inflammatory cytokines.These inflammatory cytokines induce endothelial dysfunction,with increased expression of adhesion molecules,changes in endothelial permeability and changes in the expression of nitric oxide.In this sense,the therapeutic use of monoclonal antibodies(inflammatory reducers such as statins and sodium-glucose transport inhibitors)has demonstrated positive results in the regression of atherogenic plaques and consequently CAD.On the other hand,many studies have demonstrated a relationship between mitochondrial dynamics,diabetes,and cardiovascular diseases.This link occurs since ROS have their origin in the imbalance in glucose metabolism that occurs in the mitochondrial matrix,and this imbalance can have its origin in inadequate diet as well as some pathologies.Photobiomodulation(PBM)has recently been considered a possible therapeutic agent for cardiovascular diseases due to its effects on mitochondrial dynamics and oxidative stress.In this sense,therapies such as PBM that act on pro-inflammatory mediators and mitochondrial modulation could benefit those with cardiovascular diseases.展开更多
Motivated by recent experimental progress on the quasi-one-dimensional quantum magnet Ni Nb2O6, we study the spin dynamics of an S = 1 ferromagnetic Heisenberg chain with single-ion anisotropy by using a semiclassical...Motivated by recent experimental progress on the quasi-one-dimensional quantum magnet Ni Nb2O6, we study the spin dynamics of an S = 1 ferromagnetic Heisenberg chain with single-ion anisotropy by using a semiclassical molecular dynamics approach. This system undergoes a quantum phase transition from a ferromagnetic to a paramagnetic state under a transverse magnetic field, and the magnetic response reflecting this transition is well described by our semiclassical method.We show that at low temperature the transverse component of the dynamical structure factor depicts clearly the magnon dispersion, and the longitudinal component exhibits two continua associated with single-and two-magnon excitations,respectively. These spin excitation spectra show interesting temperature dependence as effects of magnon interactions. Our findings shed light on the experimental detection of spin excitations in a large class of quasi-one-dimensional magnets.展开更多
The launch dynamics theory for multibody systems emerges as an innovative and efficacious approach for the study of launch dynamics,capable of addressing the challenges of complex modeling,diminished computational eff...The launch dynamics theory for multibody systems emerges as an innovative and efficacious approach for the study of launch dynamics,capable of addressing the challenges of complex modeling,diminished computational efficiency,and imprecise analyses of system dynamic responses found in the dynamics research of intricate multi-rigid-flexible body systems,such as self-propelled artillery.This advancement aims to enhance the firing accuracy and launch safety of self-propelled artillery.Recognizing the shortfall of overlooking the band engraving process in existing theories,this study introduces a novel coupling calculation methodology for the launch dynamics of a self-propelled artillery multibody system.This method leverages the ABAQUS subroutine interface VUAMP to compute the dynamic response of the projectile and barrel during the launch process of large-caliber self-propelled artillery.Additionally,it examines the changes in projectile resistance and band deformation in relation to projectile motion throughout the band engraving process.Comparative analysis of the computational outcomes with experimental data evidences that the proposed method offers a more precise depiction of the launch process of self-propelled artillery,thereby enhancing the accuracy of launch dynamics calculations for self-propelled artillery.展开更多
Evolution and interaction of plane waves of the multidimensional zero-pressure gas dynamics system leads to the study of the corresponding one dimensional system.In this paper,we study the initial value problem for on...Evolution and interaction of plane waves of the multidimensional zero-pressure gas dynamics system leads to the study of the corresponding one dimensional system.In this paper,we study the initial value problem for one dimensional zero-pressure gas dynamics system.Here the first equation is the Burgers equation and the second one is the continuity equation.We consider the solution with initial data in the space of bounded Borel measures.First we prove a general existence result in the algebra of generalized functions of Colombeau.Then we study in detail special solutions withδ-measures as initial data.We study interaction of waves originating from initial data concentrated on two point sources and interaction with classical shock/rarefaction waves.This gives an understanding of plane-wave interactions in the multidimensional case.We use the vanishing viscosity method in our analysis as this gives the physical solution.展开更多
High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for ...High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for studying delicate phase transitions caused by complex interactions in Mott insulators.With time-resolved transient reflectivity measurements,we identified the new phases in the spin–orbit Mott insulator Sr_(3)Ir_(2)O_7 at 300 K that was previously unidentified using conventional approaches such as x-ray diffraction.Significant pressure-dependent variation of the amplitude and lifetime obtained by fitting the reflectivity?R/R reveal the changes of electronic structure caused by lattice distortions,and reflect the critical phenomena of phase transitions.Our findings demonstrate the importance of ultrafast nonequilibrium dynamics under extreme conditions for understanding the phase transition of Mott insulators.展开更多
This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studi...This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed.展开更多
Glaciers in the Pamir region are experiencing rapid melting and receding due to climate change,which has a significant implication for the Amu Darya river basin.Predominantly,surging glaciers,which undergo unpredictab...Glaciers in the Pamir region are experiencing rapid melting and receding due to climate change,which has a significant implication for the Amu Darya river basin.Predominantly,surging glaciers,which undergo unpredictable advances,are potentially leading to the obstruction of high-altitude river channels and also glacial lake outburst floods.decrease of-703.5±30.0 m.There is a substantial increase in the number(from 19 to 75)and area(from 4889.7±0.6 m2 to 15345.5±0.6 m2)of RGS lakes along with supra-glacier ponds based on a comparison of ArcGIS base map in 2011 and high-resolution UAV data in 2023.For M glacier,number of lakes increased from 4 to 22 but the lake area declined from 10715.2±0.6 to 365.6±0.6 m2.It was noted that the largest lake in 2011 with an area of 10406.4±0.6 m2 at the southeastern portion of the glacier was not observed in 2023 due to outburst.Both the glaciers have substantially impacted the river flow(Abdukahor river)by obstructing a significant proportion of river channel in recent years and might cause outburst floods.These findings enhance the understanding of glacier dynamics and their impacts on the surrounding areas,emphasizing the urgent need for continued monitoring and appropriate management strategies,with a specific focus on surging glaciers and the associated risks.展开更多
Electron dynamics during non-sequential double ionization(NSDI) is one of the most attractive areas of research in the field of laser–atom or laser–molecule interaction. Based on the classic two-dimensional model, w...Electron dynamics during non-sequential double ionization(NSDI) is one of the most attractive areas of research in the field of laser–atom or laser–molecule interaction. Based on the classic two-dimensional model, we study the process of NSDI of argon atoms driven by a few-cycle orthogonal two-color laser field composed of 800 nm and 400 nm laser pulses. By changing the relative phase of the two laser pulses, a localized enhancement of NSDI yield is observed at 0.5πand 1.5π, which could be attributed to a rapid and substantial increase in the number of electrons returning to the parent ion within extremely short time intervals at these specific phases. Through the analysis of the electron–electron momentum correlations within different time windows of NSDI events and the angular distributions of emitted electrons in different channels, we observe a more pronounced electron–electron correlation phenomenon in the recollision-induced ionization(RII) channel. This is attributed to the shorter delay time in the RII channel.展开更多
In the purpose to design novel antituberculosis (anti-TB) drugs agents against Mycobacterium tuberculosis (Mtb), we have built a molecular library around 42 Halimane Diterpenoids isolated from natural sources. Two Mtb...In the purpose to design novel antituberculosis (anti-TB) drugs agents against Mycobacterium tuberculosis (Mtb), we have built a molecular library around 42 Halimane Diterpenoids isolated from natural sources. Two Mtb enzymes drug targets (Mtb Mycothiol S-transferase and Mtb Homoserine transacetylase) have been adopted. The pharmacological potential was investigated through molecular docking, molecular dynamics simulation, density functional theory (gas phase and water) and ADMET analysis. Our results indicate that (2R,5R,6S)-1,2,3,4,5,6,7,8-octahydro-5-((E)-5-hydroxy-3-methylpent-3-enyl)-1,1,5,6-tetramethylnaphtha-lene-2-ol (compound 20) has displays higher docking score with each of the selected drug targets. In addition, this molecule exhibits a satisfactory drug potential activity and a good chemical reactivity. Its improved kinetic stability in the Mtb Mycothiol S-transferase enzyme reflects its suitability as a novel inhibitor of Mtb growth. This molecule has displayed a good absorption potential. Our results also show that its passive passage of the intestinal permeability barrier is more effective than that of first-line treatments (ethambutol, isoniazid). In the same way, this anti-TB druglikeness has shown to be able to cross the blood brain barrier.展开更多
The classical Pauli particle(CPP) serves as a slow manifold, substituting the conventional guiding center dynamics. Based on the CPP, we utilize the averaged vector field(AVF) method in the computations of drift orbit...The classical Pauli particle(CPP) serves as a slow manifold, substituting the conventional guiding center dynamics. Based on the CPP, we utilize the averaged vector field(AVF) method in the computations of drift orbits. Demonstrating significantly higher efficiency, this advanced method is capable of accomplishing the simulation in less than one-third of the time of directly computing the guiding center motion. In contrast to the CPP-based Boris algorithm, this approach inherits the advantages of the AVF method, yielding stable trajectories even achieved with a tenfold time step and reducing the energy error by two orders of magnitude. By comparing these two CPP algorithms with the traditional RK4 method, the numerical results indicate a remarkable performance in terms of both the computational efficiency and error elimination. Moreover, we verify the properties of slow manifold integrators and successfully observe the bounce on both sides of the limiting slow manifold with deliberately chosen perturbed initial conditions. To evaluate the practical value of the methods, we conduct simulations in non-axisymmetric perturbation magnetic fields as part of the experiments,demonstrating that our CPP-based AVF method can handle simulations under complex magnetic field configurations with high accuracy, which the CPP-based Boris algorithm lacks. Through numerical experiments, we demonstrate that the CPP can replace guiding center dynamics in using energy-preserving algorithms for computations, providing a new, efficient, as well as stable approach for applying structure-preserving algorithms in plasma simulations.展开更多
Lymph node targeting is a commonly used strategy for particulate vaccines,particularly for Pickering emulsions.However,extensive research on the internal delivery mechanisms of these emulsions,especially the complex i...Lymph node targeting is a commonly used strategy for particulate vaccines,particularly for Pickering emulsions.However,extensive research on the internal delivery mechanisms of these emulsions,especially the complex intercellular interactions of deformable Pickering emulsions,has been surprisingly sparse.This gap in knowledge holds significant potential for enhancing vaccine efficacy.This study aims to address this by summarizing the process of lymph-node-targeting transport and introducing a dissipative particle dynamics simulation method to evaluate the dynamic processes within cell tissue.The transport of Pickering emulsions in skeletal muscle tissue is specifically investigated as a case study.Various factors impacting the transport process are explored,including local cellular tissue environmental factors and the properties of the Pickering emulsion itself.The simulation results primarily demonstrate that an increase in radial repulsive interaction between emulsion particles can decrease the transport efficiency.Additionally,larger intercellular gaps also diminish the transport efficiency of emulsion droplet particles due to the increased motion complexity within the intricate transport space compared to a single channel.This study sheds light on the nuanced interplay between engineered and biological systems influencing the transport dynamics of Pickering emulsions.Such insights hold valuable potential for optimizing transport processes in practical biomedical applications such as drug delivery.Importantly,the desired transport efficiency varies depending on the specific application.For instance,while a more rapid transport might be crucial for lymph-node-targeted drug delivery,certain applications requiring a slower release of active components could benefit from the reduced transport efficiency observed with increased particle repulsion or larger intercellular gaps.展开更多
In the present study,the nanofliud natural convection is investigated by the energy-conserving dissipative particle dynamics(eDPD)method,where the nanoparticles are considered at the single-particle level.The thermal ...In the present study,the nanofliud natural convection is investigated by the energy-conserving dissipative particle dynamics(eDPD)method,where the nanoparticles are considered at the single-particle level.The thermal expansion coefficientβand the viscosityμof the simulated system containing nanoparticles are calculated and found to be in close alignment with the previous simulation results.The single-particle hydrodynamics in e DPD enables simulations of nanofluid natural convection with higher Rayleigh numbers and greater nanoparticle volume fractions.Additionally,this approach is utilized to simulate the nanoparticle distribution during the enhanced heat transfer process in the nanofluid natural convection.The localized aggregation of nanoparticles enhances the heat transfer performance of the nanofluid under specific Rayleigh numbers and nanoparticles volume fractions.展开更多
Discrete dislocation dynamics(DDD)simulations reveal the evolution of dislocation structures and the interaction of dislocations.This study investigated the compression behavior of single-crystal copper micropillars u...Discrete dislocation dynamics(DDD)simulations reveal the evolution of dislocation structures and the interaction of dislocations.This study investigated the compression behavior of single-crystal copper micropillars using fewshot machine learning with data provided by DDD simulations.Two types of features are considered:external features comprising specimen size and loading orientation and internal features involving dislocation source length,Schmid factor,the orientation of the most easily activated dislocations and their distance from the free boundary.The yielding stress and stress-strain curves of single-crystal copper micropillar are predicted well by incorporating both external and internal features of the sample as separate or combined inputs.It is found that the machine learning accuracy predictions for single-crystal micropillar compression can be improved by incorporating easily activated dislocation features with external features.However,the effect of easily activated dislocation on yielding is less important compared to the effects of specimen size and Schmid factor which includes information of orientation but becomes more evident in small-sized micropillars.Overall,incorporating internal features,especially the information of most easily activated dislocations,improves predictive capabilities across diverse sample sizes and orientations.展开更多
Mitochondria undergo morphological changes during spermatogenesis in some animals.The mechanism and role of mitochondrial morphology regulation,however,remain somewhat unclear.In this study,we analyzed the molecular c...Mitochondria undergo morphological changes during spermatogenesis in some animals.The mechanism and role of mitochondrial morphology regulation,however,remain somewhat unclear.In this study,we analyzed the molecular characteristics,expression dynamics and subcellular localization of optic atrophy protein 1(OPA1),a mitochondrial fusion and cristae maintenance-related protein,to reveal the possible regulatory mechanisms underlying mitochondrial morphology in Phascolosoma esculenta spermiogenesis.The full-length cDNA of the P.esculenta opa1 gene(Pe-opa1)is 3743 bp in length and encodes 975 amino acids.The Pe-OPA1 protein is highly conservative and includes a transmembrane domain,a GTPase domain,two helical bundle domains,and a lipid-interacting stalk.Gene and protein expression was higher in the coelomic fluid(a site of spermatid development)of male P.esculenta and increased first and then decreased from March to December.Moreover,their expression during the breeding stage was significantly higher than during the non-breeding stage,suggesting that Pe-OPA1 is involved in P.esculenta reproduction.The Pe-OPA1 protein was more abundant in components consisting of many spermatids than in components without,indicating that Pe-OPA1 mainly plays a role in the spermatid in coelomic fluid.Moreover,Pe-OPA1 was mainly detected in the spermatid mitochondria.Immunofluorescence experiments showed that the Pe-OPA1 are constitutively expressed and co-localized with mitochondria during spermiogenesis,suggesting its involvement in P.esculenta spermiogenesis.These results provide evidence for Pe-OPA1's involvement in the regulation of mitochondrial morphology during spermiogenesis.展开更多
Appropriate drying process with optimized controlling of drying parameters plays a vital role in the improvement of the quality and performance of propellant products.However,few research on solvent transport dynamics...Appropriate drying process with optimized controlling of drying parameters plays a vital role in the improvement of the quality and performance of propellant products.However,few research on solvent transport dynamics within NC-based propellants was reported,and its effect on the evolution of mechanical properties was not interpreted yet.This study is conducted to gain a comprehensive understanding of hot-air drying for NC-based propellants and clarify the effect of temperature on solvent transport behavior and further the change of mechanical properties during drying.The drying kinetic curves show the drying time required is decreased but the steady solvent content is increased and the drying rate is obviously increased with the increase of hot-air temperatures,indicating hot-air temperatures have a significant effect on drying kinetics.A modified drying model was established,and results show it is more appropriate to describe solvent transport behavior within NC-based propellants.Moreover,two linear equations were established to exhibit the relationship between solvent content and its effect on the change of tensile properties,and the decrease of residual solvent content causes an obvious increase of tensile strength and tensile modulus of propellant products,indicating its mechanical properties can be partly improved by adjustment of residual solvent content.The outcomes can be used to clarify solvent transport mechanisms and optimize drying process parameters of double-based gun propellants.展开更多
To solve the finite-time error-tracking problem in mis-sile guidance,this paper presents a unified design approach through error dynamics and free-time convergence theory.The proposed approach is initiated by establis...To solve the finite-time error-tracking problem in mis-sile guidance,this paper presents a unified design approach through error dynamics and free-time convergence theory.The proposed approach is initiated by establishing a desired model for free-time convergent error dynamics,characterized by its independence from initial conditions and guidance parameters,and adjustable convergence time.This foundation facilitates the derivation of specific guidance laws that integrate constraints such as leading angle,impact angle,and impact time.The theoretical framework of this study elucidates the nuances and synergies between the proposed guidance laws and existing methodologies.Empirical evaluations through simulation comparisons underscore the enhanced accuracy and adaptability of the proposed laws.展开更多
In this article, the transmission dynamics of a Hand-Foot-Mouth disease model with treatment and vaccination interventions are studied. We calculated the basic reproduction number and proved the global stability of di...In this article, the transmission dynamics of a Hand-Foot-Mouth disease model with treatment and vaccination interventions are studied. We calculated the basic reproduction number and proved the global stability of disease-free equilibrium when R0 R0 > 1. Meanwhile, we obtained the optimal control strategies minimizing the cost of intervention and minimizing the infected person. We also give some numerical simulations to verify our theoretical results.展开更多
The recent outbreak of COVID-19 has caused millions of deaths worldwide and a huge societal and economic impact in virtually all countries. A large variety of mathematical models to describe the dynamics of COVID-19 t...The recent outbreak of COVID-19 has caused millions of deaths worldwide and a huge societal and economic impact in virtually all countries. A large variety of mathematical models to describe the dynamics of COVID-19 transmission have been reported. Among them, Bayesian probabilistic models of COVID-19 transmission dynamics have been very efficient in the interpretation of early data from the beginning of the pandemic, helping to estimate the impact of non-pharmacological measures in each country, and forecasting the evolution of the pandemic in different potential scenarios. These models use probability distribution curves to describe key dynamic aspects of the transmission, like the probability for every infected person of infecting other individuals, dying or recovering, with parameters obtained from experimental epidemiological data. However, the impact of vaccine-induced immunity, which has been key for controlling the public health emergency caused by the pandemic, has been more challenging to describe in these models, due to the complexity of experimental data. Here we report different probability distribution curves to model the acquisition and decay of immunity after vaccination. We discuss the mathematical background and how these models can be integrated in existing Bayesian probabilistic models to provide a good estimation of the dynamics of COVID-19 transmission during the entire pandemic period.展开更多
Non-alcoholic fatty liver disease(NAFLD)is a chronic liver disease closely related to metabolic disorders that pose a serious threat to human health.Currently,no specific drugs are available for treating the aetiology...Non-alcoholic fatty liver disease(NAFLD)is a chronic liver disease closely related to metabolic disorders that pose a serious threat to human health.Currently,no specific drugs are available for treating the aetiology of NAFLD in clinical practice.Mitochondria have various biological functions inside the cell.Studies have found that mitochondrial fission and fusion are closely related to NAFLD.Therefore,identifying therapeutic targets for NAFLD through mitochondrial fission and fusion is crucial.Particularly in the field of traditional Chinese medicine,good therapeutic effects have been achieved in the treatment of NAFLD by protecting mitochondrial fusion and fission.Therefore,this article reviews the relationship between mitochondrial dynamics and NAFLD as well as the treatment of NAFLD through the regulation of mitochondrial fission and fusion with traditional Chinese medicine to provide a reference for the clinical application of traditional Chinese medicine in regulating mitochondrial fission and fusion functions to treat NAFLD.展开更多
文摘Inflammatory markers and mediators that affect the development of cardiovascular diseases have been the focus of recent scientific work.Thus,the purpose of this editorial is to promote a critical debate about the article titled“Nε-carboxymethyl-lysine and inflammatory cytokines,markers,and mediators of coronary artery disease progression in diabetes”,published in the World Journal of Diabetes in 2024.This work directs us to reflect on the role of advanced glycation end products,which are pro-inflammatory products arising from the metabolism of fatty acids and sugars whose main marker in tissues is Nε-carboxymethyllysine(NML).Recent studies have linked high levels of pro-inflammatory agents with the development of coronary artery disease(CAD),especially tumor necrosis factor alpha,interleukins,and C-reactive protein.These inflammatory agents increase the production of reactive oxygen species(ROS),of which people with diabetes are known to have an increased production.The increase in ROS promotes lipid peroxidation,which causes damage to myocytes,promoting myocardial damage.Furthermore,oxidative stress induces the binding of NML to its receptor RAGE,which in turn activates the nuclear factor-kB,and consequently,inflammatory cytokines.These inflammatory cytokines induce endothelial dysfunction,with increased expression of adhesion molecules,changes in endothelial permeability and changes in the expression of nitric oxide.In this sense,the therapeutic use of monoclonal antibodies(inflammatory reducers such as statins and sodium-glucose transport inhibitors)has demonstrated positive results in the regression of atherogenic plaques and consequently CAD.On the other hand,many studies have demonstrated a relationship between mitochondrial dynamics,diabetes,and cardiovascular diseases.This link occurs since ROS have their origin in the imbalance in glucose metabolism that occurs in the mitochondrial matrix,and this imbalance can have its origin in inadequate diet as well as some pathologies.Photobiomodulation(PBM)has recently been considered a possible therapeutic agent for cardiovascular diseases due to its effects on mitochondrial dynamics and oxidative stress.In this sense,therapies such as PBM that act on pro-inflammatory mediators and mitochondrial modulation could benefit those with cardiovascular diseases.
基金Project supported by the National Key R&D Program of China (Grant No. 2023YFA1406500)the National Natural Science Foundation of China (Grant Nos. 12334008, 12174441,12134020, and 12374156)。
文摘Motivated by recent experimental progress on the quasi-one-dimensional quantum magnet Ni Nb2O6, we study the spin dynamics of an S = 1 ferromagnetic Heisenberg chain with single-ion anisotropy by using a semiclassical molecular dynamics approach. This system undergoes a quantum phase transition from a ferromagnetic to a paramagnetic state under a transverse magnetic field, and the magnetic response reflecting this transition is well described by our semiclassical method.We show that at low temperature the transverse component of the dynamical structure factor depicts clearly the magnon dispersion, and the longitudinal component exhibits two continua associated with single-and two-magnon excitations,respectively. These spin excitation spectra show interesting temperature dependence as effects of magnon interactions. Our findings shed light on the experimental detection of spin excitations in a large class of quasi-one-dimensional magnets.
基金supported by the National Natural Science Foundation of China (Grant Number:12372093)。
文摘The launch dynamics theory for multibody systems emerges as an innovative and efficacious approach for the study of launch dynamics,capable of addressing the challenges of complex modeling,diminished computational efficiency,and imprecise analyses of system dynamic responses found in the dynamics research of intricate multi-rigid-flexible body systems,such as self-propelled artillery.This advancement aims to enhance the firing accuracy and launch safety of self-propelled artillery.Recognizing the shortfall of overlooking the band engraving process in existing theories,this study introduces a novel coupling calculation methodology for the launch dynamics of a self-propelled artillery multibody system.This method leverages the ABAQUS subroutine interface VUAMP to compute the dynamic response of the projectile and barrel during the launch process of large-caliber self-propelled artillery.Additionally,it examines the changes in projectile resistance and band deformation in relation to projectile motion throughout the band engraving process.Comparative analysis of the computational outcomes with experimental data evidences that the proposed method offers a more precise depiction of the launch process of self-propelled artillery,thereby enhancing the accuracy of launch dynamics calculations for self-propelled artillery.
基金supported by the TIFR-CAM Doctoral Fellowship and the NISER Postdoctoral Fellowship(through the project“Basic research in physics and multidisciplinary sciences”with identification#RIN4001)during the preparation of this papersupported by the Raja Ramanna Fellowship.
文摘Evolution and interaction of plane waves of the multidimensional zero-pressure gas dynamics system leads to the study of the corresponding one dimensional system.In this paper,we study the initial value problem for one dimensional zero-pressure gas dynamics system.Here the first equation is the Burgers equation and the second one is the continuity equation.We consider the solution with initial data in the space of bounded Borel measures.First we prove a general existence result in the algebra of generalized functions of Colombeau.Then we study in detail special solutions withδ-measures as initial data.We study interaction of waves originating from initial data concentrated on two point sources and interaction with classical shock/rarefaction waves.This gives an understanding of plane-wave interactions in the multidimensional case.We use the vanishing viscosity method in our analysis as this gives the physical solution.
基金The project supported by the National Key Research and Development Program of China(Grant No.2018YFA0305703)Science Challenge Project(Grant No.TZ2016001)the National Natural Science Foundation of China(Grant Nos.U1930401 and 11874075)。
文摘High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for studying delicate phase transitions caused by complex interactions in Mott insulators.With time-resolved transient reflectivity measurements,we identified the new phases in the spin–orbit Mott insulator Sr_(3)Ir_(2)O_7 at 300 K that was previously unidentified using conventional approaches such as x-ray diffraction.Significant pressure-dependent variation of the amplitude and lifetime obtained by fitting the reflectivity?R/R reveal the changes of electronic structure caused by lattice distortions,and reflect the critical phenomena of phase transitions.Our findings demonstrate the importance of ultrafast nonequilibrium dynamics under extreme conditions for understanding the phase transition of Mott insulators.
文摘This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed.
基金funded by the Gansu Provincial Science and Technology Program(22ZD6FA005)Gansu Postdoctoral Science Foundation(Grant number-E339880204)。
文摘Glaciers in the Pamir region are experiencing rapid melting and receding due to climate change,which has a significant implication for the Amu Darya river basin.Predominantly,surging glaciers,which undergo unpredictable advances,are potentially leading to the obstruction of high-altitude river channels and also glacial lake outburst floods.decrease of-703.5±30.0 m.There is a substantial increase in the number(from 19 to 75)and area(from 4889.7±0.6 m2 to 15345.5±0.6 m2)of RGS lakes along with supra-glacier ponds based on a comparison of ArcGIS base map in 2011 and high-resolution UAV data in 2023.For M glacier,number of lakes increased from 4 to 22 but the lake area declined from 10715.2±0.6 to 365.6±0.6 m2.It was noted that the largest lake in 2011 with an area of 10406.4±0.6 m2 at the southeastern portion of the glacier was not observed in 2023 due to outburst.Both the glaciers have substantially impacted the river flow(Abdukahor river)by obstructing a significant proportion of river channel in recent years and might cause outburst floods.These findings enhance the understanding of glacier dynamics and their impacts on the surrounding areas,emphasizing the urgent need for continued monitoring and appropriate management strategies,with a specific focus on surging glaciers and the associated risks.
基金partly supported by the National Natural Science Foundation of China (Grant Nos. 12034008,12250003, and 11727810)the Program of Introducing Talents of Discipline to Universities 111 Project (B12024)。
文摘Electron dynamics during non-sequential double ionization(NSDI) is one of the most attractive areas of research in the field of laser–atom or laser–molecule interaction. Based on the classic two-dimensional model, we study the process of NSDI of argon atoms driven by a few-cycle orthogonal two-color laser field composed of 800 nm and 400 nm laser pulses. By changing the relative phase of the two laser pulses, a localized enhancement of NSDI yield is observed at 0.5πand 1.5π, which could be attributed to a rapid and substantial increase in the number of electrons returning to the parent ion within extremely short time intervals at these specific phases. Through the analysis of the electron–electron momentum correlations within different time windows of NSDI events and the angular distributions of emitted electrons in different channels, we observe a more pronounced electron–electron correlation phenomenon in the recollision-induced ionization(RII) channel. This is attributed to the shorter delay time in the RII channel.
文摘In the purpose to design novel antituberculosis (anti-TB) drugs agents against Mycobacterium tuberculosis (Mtb), we have built a molecular library around 42 Halimane Diterpenoids isolated from natural sources. Two Mtb enzymes drug targets (Mtb Mycothiol S-transferase and Mtb Homoserine transacetylase) have been adopted. The pharmacological potential was investigated through molecular docking, molecular dynamics simulation, density functional theory (gas phase and water) and ADMET analysis. Our results indicate that (2R,5R,6S)-1,2,3,4,5,6,7,8-octahydro-5-((E)-5-hydroxy-3-methylpent-3-enyl)-1,1,5,6-tetramethylnaphtha-lene-2-ol (compound 20) has displays higher docking score with each of the selected drug targets. In addition, this molecule exhibits a satisfactory drug potential activity and a good chemical reactivity. Its improved kinetic stability in the Mtb Mycothiol S-transferase enzyme reflects its suitability as a novel inhibitor of Mtb growth. This molecule has displayed a good absorption potential. Our results also show that its passive passage of the intestinal permeability barrier is more effective than that of first-line treatments (ethambutol, isoniazid). In the same way, this anti-TB druglikeness has shown to be able to cross the blood brain barrier.
基金supported by National Natural Science Foundation of China (Nos. 11975068 and 11925501)the National Key R&D Program of China (No. 2022YFE03090000)the Fundamental Research Funds for the Central Universities (No. DUT22ZD215)。
文摘The classical Pauli particle(CPP) serves as a slow manifold, substituting the conventional guiding center dynamics. Based on the CPP, we utilize the averaged vector field(AVF) method in the computations of drift orbits. Demonstrating significantly higher efficiency, this advanced method is capable of accomplishing the simulation in less than one-third of the time of directly computing the guiding center motion. In contrast to the CPP-based Boris algorithm, this approach inherits the advantages of the AVF method, yielding stable trajectories even achieved with a tenfold time step and reducing the energy error by two orders of magnitude. By comparing these two CPP algorithms with the traditional RK4 method, the numerical results indicate a remarkable performance in terms of both the computational efficiency and error elimination. Moreover, we verify the properties of slow manifold integrators and successfully observe the bounce on both sides of the limiting slow manifold with deliberately chosen perturbed initial conditions. To evaluate the practical value of the methods, we conduct simulations in non-axisymmetric perturbation magnetic fields as part of the experiments,demonstrating that our CPP-based AVF method can handle simulations under complex magnetic field configurations with high accuracy, which the CPP-based Boris algorithm lacks. Through numerical experiments, we demonstrate that the CPP can replace guiding center dynamics in using energy-preserving algorithms for computations, providing a new, efficient, as well as stable approach for applying structure-preserving algorithms in plasma simulations.
基金supported by the National Natural Science Foundation of China(22373104 and 22293024)the Science Fund for Creative Research Groups of the National Natural Science Foundation of China(21821005)+1 种基金supported by the National Key Research and Development Program of China(2021YFE020527)support by the Distinguished Young Scholars of the National Natural Science Foundation of China(T2222022).
文摘Lymph node targeting is a commonly used strategy for particulate vaccines,particularly for Pickering emulsions.However,extensive research on the internal delivery mechanisms of these emulsions,especially the complex intercellular interactions of deformable Pickering emulsions,has been surprisingly sparse.This gap in knowledge holds significant potential for enhancing vaccine efficacy.This study aims to address this by summarizing the process of lymph-node-targeting transport and introducing a dissipative particle dynamics simulation method to evaluate the dynamic processes within cell tissue.The transport of Pickering emulsions in skeletal muscle tissue is specifically investigated as a case study.Various factors impacting the transport process are explored,including local cellular tissue environmental factors and the properties of the Pickering emulsion itself.The simulation results primarily demonstrate that an increase in radial repulsive interaction between emulsion particles can decrease the transport efficiency.Additionally,larger intercellular gaps also diminish the transport efficiency of emulsion droplet particles due to the increased motion complexity within the intricate transport space compared to a single channel.This study sheds light on the nuanced interplay between engineered and biological systems influencing the transport dynamics of Pickering emulsions.Such insights hold valuable potential for optimizing transport processes in practical biomedical applications such as drug delivery.Importantly,the desired transport efficiency varies depending on the specific application.For instance,while a more rapid transport might be crucial for lymph-node-targeted drug delivery,certain applications requiring a slower release of active components could benefit from the reduced transport efficiency observed with increased particle repulsion or larger intercellular gaps.
基金Project supported by the National Natural Science Foundation of China(Nos.11872283 and 2002212)the Sailing Program of Shanghai,China(No.20YF1432800)。
文摘In the present study,the nanofliud natural convection is investigated by the energy-conserving dissipative particle dynamics(eDPD)method,where the nanoparticles are considered at the single-particle level.The thermal expansion coefficientβand the viscosityμof the simulated system containing nanoparticles are calculated and found to be in close alignment with the previous simulation results.The single-particle hydrodynamics in e DPD enables simulations of nanofluid natural convection with higher Rayleigh numbers and greater nanoparticle volume fractions.Additionally,this approach is utilized to simulate the nanoparticle distribution during the enhanced heat transfer process in the nanofluid natural convection.The localized aggregation of nanoparticles enhances the heat transfer performance of the nanofluid under specific Rayleigh numbers and nanoparticles volume fractions.
基金supported by the National Natural Science Foundation of China(Grant Nos.12192214 and 12222209).
文摘Discrete dislocation dynamics(DDD)simulations reveal the evolution of dislocation structures and the interaction of dislocations.This study investigated the compression behavior of single-crystal copper micropillars using fewshot machine learning with data provided by DDD simulations.Two types of features are considered:external features comprising specimen size and loading orientation and internal features involving dislocation source length,Schmid factor,the orientation of the most easily activated dislocations and their distance from the free boundary.The yielding stress and stress-strain curves of single-crystal copper micropillar are predicted well by incorporating both external and internal features of the sample as separate or combined inputs.It is found that the machine learning accuracy predictions for single-crystal micropillar compression can be improved by incorporating easily activated dislocation features with external features.However,the effect of easily activated dislocation on yielding is less important compared to the effects of specimen size and Schmid factor which includes information of orientation but becomes more evident in small-sized micropillars.Overall,incorporating internal features,especially the information of most easily activated dislocations,improves predictive capabilities across diverse sample sizes and orientations.
基金the Ningbo Science and Technology Plan Projects(Nos.2019B10016,2016C10004)the Major Science and Technology Projects in Zhejiang Province(No.2011C12013)+1 种基金the Natural Science Foundation of Zhejiang Province(No.LY18C190007)the Collaborative Innovation Center for Zhejiang Marine High-efficiency and Healthy Aquaculture,the K.C.Wong Magna Fund in Ningbo University。
文摘Mitochondria undergo morphological changes during spermatogenesis in some animals.The mechanism and role of mitochondrial morphology regulation,however,remain somewhat unclear.In this study,we analyzed the molecular characteristics,expression dynamics and subcellular localization of optic atrophy protein 1(OPA1),a mitochondrial fusion and cristae maintenance-related protein,to reveal the possible regulatory mechanisms underlying mitochondrial morphology in Phascolosoma esculenta spermiogenesis.The full-length cDNA of the P.esculenta opa1 gene(Pe-opa1)is 3743 bp in length and encodes 975 amino acids.The Pe-OPA1 protein is highly conservative and includes a transmembrane domain,a GTPase domain,two helical bundle domains,and a lipid-interacting stalk.Gene and protein expression was higher in the coelomic fluid(a site of spermatid development)of male P.esculenta and increased first and then decreased from March to December.Moreover,their expression during the breeding stage was significantly higher than during the non-breeding stage,suggesting that Pe-OPA1 is involved in P.esculenta reproduction.The Pe-OPA1 protein was more abundant in components consisting of many spermatids than in components without,indicating that Pe-OPA1 mainly plays a role in the spermatid in coelomic fluid.Moreover,Pe-OPA1 was mainly detected in the spermatid mitochondria.Immunofluorescence experiments showed that the Pe-OPA1 are constitutively expressed and co-localized with mitochondria during spermiogenesis,suggesting its involvement in P.esculenta spermiogenesis.These results provide evidence for Pe-OPA1's involvement in the regulation of mitochondrial morphology during spermiogenesis.
基金the National Natural Science Foundation of China(Grant No.22075146).
文摘Appropriate drying process with optimized controlling of drying parameters plays a vital role in the improvement of the quality and performance of propellant products.However,few research on solvent transport dynamics within NC-based propellants was reported,and its effect on the evolution of mechanical properties was not interpreted yet.This study is conducted to gain a comprehensive understanding of hot-air drying for NC-based propellants and clarify the effect of temperature on solvent transport behavior and further the change of mechanical properties during drying.The drying kinetic curves show the drying time required is decreased but the steady solvent content is increased and the drying rate is obviously increased with the increase of hot-air temperatures,indicating hot-air temperatures have a significant effect on drying kinetics.A modified drying model was established,and results show it is more appropriate to describe solvent transport behavior within NC-based propellants.Moreover,two linear equations were established to exhibit the relationship between solvent content and its effect on the change of tensile properties,and the decrease of residual solvent content causes an obvious increase of tensile strength and tensile modulus of propellant products,indicating its mechanical properties can be partly improved by adjustment of residual solvent content.The outcomes can be used to clarify solvent transport mechanisms and optimize drying process parameters of double-based gun propellants.
基金supported by the National Natural Science Foundation of China(12002370).
文摘To solve the finite-time error-tracking problem in mis-sile guidance,this paper presents a unified design approach through error dynamics and free-time convergence theory.The proposed approach is initiated by establishing a desired model for free-time convergent error dynamics,characterized by its independence from initial conditions and guidance parameters,and adjustable convergence time.This foundation facilitates the derivation of specific guidance laws that integrate constraints such as leading angle,impact angle,and impact time.The theoretical framework of this study elucidates the nuances and synergies between the proposed guidance laws and existing methodologies.Empirical evaluations through simulation comparisons underscore the enhanced accuracy and adaptability of the proposed laws.
文摘In this article, the transmission dynamics of a Hand-Foot-Mouth disease model with treatment and vaccination interventions are studied. We calculated the basic reproduction number and proved the global stability of disease-free equilibrium when R0 R0 > 1. Meanwhile, we obtained the optimal control strategies minimizing the cost of intervention and minimizing the infected person. We also give some numerical simulations to verify our theoretical results.
文摘The recent outbreak of COVID-19 has caused millions of deaths worldwide and a huge societal and economic impact in virtually all countries. A large variety of mathematical models to describe the dynamics of COVID-19 transmission have been reported. Among them, Bayesian probabilistic models of COVID-19 transmission dynamics have been very efficient in the interpretation of early data from the beginning of the pandemic, helping to estimate the impact of non-pharmacological measures in each country, and forecasting the evolution of the pandemic in different potential scenarios. These models use probability distribution curves to describe key dynamic aspects of the transmission, like the probability for every infected person of infecting other individuals, dying or recovering, with parameters obtained from experimental epidemiological data. However, the impact of vaccine-induced immunity, which has been key for controlling the public health emergency caused by the pandemic, has been more challenging to describe in these models, due to the complexity of experimental data. Here we report different probability distribution curves to model the acquisition and decay of immunity after vaccination. We discuss the mathematical background and how these models can be integrated in existing Bayesian probabilistic models to provide a good estimation of the dynamics of COVID-19 transmission during the entire pandemic period.
文摘Non-alcoholic fatty liver disease(NAFLD)is a chronic liver disease closely related to metabolic disorders that pose a serious threat to human health.Currently,no specific drugs are available for treating the aetiology of NAFLD in clinical practice.Mitochondria have various biological functions inside the cell.Studies have found that mitochondrial fission and fusion are closely related to NAFLD.Therefore,identifying therapeutic targets for NAFLD through mitochondrial fission and fusion is crucial.Particularly in the field of traditional Chinese medicine,good therapeutic effects have been achieved in the treatment of NAFLD by protecting mitochondrial fusion and fission.Therefore,this article reviews the relationship between mitochondrial dynamics and NAFLD as well as the treatment of NAFLD through the regulation of mitochondrial fission and fusion with traditional Chinese medicine to provide a reference for the clinical application of traditional Chinese medicine in regulating mitochondrial fission and fusion functions to treat NAFLD.