The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF str...The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF structure database is available.In this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition reaction.The descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification criterion.The feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were discovered.Among them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.展开更多
The first efficiently N-heterocyclic carbene-catalyzed[4+2]cycloaddition of salicylaldehydes and pyrazole-4,5-diones to directly synthesis of spiro-ketal-pyrazolones bearing both oxygens of the ketal unit in the same ...The first efficiently N-heterocyclic carbene-catalyzed[4+2]cycloaddition of salicylaldehydes and pyrazole-4,5-diones to directly synthesis of spiro-ketal-pyrazolones bearing both oxygens of the ketal unit in the same ring was disclosed.This reaction was qualified with broad substrate scope,achieving moderate to excellent yield(up to 98%).This method has mild reaction conditions and simple operation,providing a new attractive strategy for the practical syntheses of multifunctionalized spiroketals including pyrazolone structures with mild reaction condition and operational simplicity.Furthermore,the gram scale and derivative transformations have also been achieved.展开更多
A visible-light-promoted[1+2]cycloaddition of gem-difluoroalkenes with aryl diazo esters provides an efficient and important route to 1,1-difluorocyclopropanes.The reaction conditions are mild,and the operation is ver...A visible-light-promoted[1+2]cycloaddition of gem-difluoroalkenes with aryl diazo esters provides an efficient and important route to 1,1-difluorocyclopropanes.The reaction conditions are mild,and the operation is very simple.A number of diazo esters and gem-difluoroalkenes are suitable for this reaction(36 examples),providing the desired products in good yields with excellent diastereoselectivity(>20∶1).展开更多
In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introduc...In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introducing only one additional evaluation of the function in each step.Furthermore,some new efficient methods with a higher-order of convergence are obtained by using only a single matrix inversion in each iteration.Analyses of convergence properties and computational efficiency of these new methods are made and testified by several numerical problems.By comparison,the new schemes are more efficient than the corresponding existing ones,particularly for large problem sizes.展开更多
This paper deals with extensions of higher-order optimality conditions for scalar optimization to multiobjective optimization.A type of directional derivatives for a multiobjective function is proposed,and with this n...This paper deals with extensions of higher-order optimality conditions for scalar optimization to multiobjective optimization.A type of directional derivatives for a multiobjective function is proposed,and with this notion characterizations of strict local minima of order k for a multiobjective optimization problem with a nonempty set constraint are established,generalizing the corresponding scalar case obtained by Studniarski[3].Also necessary not sufficient and sufficient not necessary optimality conditions for this minima are derived based on our directional derivatives,which are generalizations of some existing scalar results and equivalent to some existing multiobjective ones.Many examples are given to illustrate them there.展开更多
This article briefly reviews the topic of complex network synchronization,with its graph-theoretic criterion,showing that the homogeneous and symmetrical network structures are essential for optimal synchronization.Fu...This article briefly reviews the topic of complex network synchronization,with its graph-theoretic criterion,showing that the homogeneous and symmetrical network structures are essential for optimal synchronization.Furthermore,it briefly reviews the notion of higher-order network topologies and shows their promising potential in application to evaluating the optimality of network synchronizability.展开更多
Information spreading has been investigated for many years,but the mechanism of why the information explosively catches on overnight is still under debate.This explosive spreading phenomenon was usually considered dri...Information spreading has been investigated for many years,but the mechanism of why the information explosively catches on overnight is still under debate.This explosive spreading phenomenon was usually considered driven separately by social reinforcement or higher-order interactions.However,due to the limitations of empirical data and theoretical analysis,how the higher-order network structure affects the explosive information spreading under the role of social reinforcement has not been fully explored.In this work,we propose an information-spreading model by considering the social reinforcement in real and synthetic higher-order networks,describable as hypergraphs.Depending on the average group size(hyperedge cardinality)and node membership(hyperdegree),we observe two different spreading behaviors:(i)The spreading progress is not sensitive to social reinforcement,resulting in the information localized in a small part of nodes;(ii)a strong social reinforcement will promote the large-scale spread of information and induce an explosive transition.Moreover,a large average group size and membership would be beneficial to the appearance of the explosive transition.Further,we display that the heterogeneity of the node membership and group size distributions benefit the information spreading.Finally,we extend the group-based approximate master equations to verify the simulation results.Our findings may help us to comprehend the rapidly information-spreading phenomenon in modern society.展开更多
Pyrazolidinones,as significant analogs ofβ-lactam antibiotics,have garnered substantial interest for their enantioselective synthesis.Azomethine imines,recognized as valuable building blocks for the construction of t...Pyrazolidinones,as significant analogs ofβ-lactam antibiotics,have garnered substantial interest for their enantioselective synthesis.Azomethine imines,recognized as valuable building blocks for the construction of these nitrogen-containing compounds,underscore the continuous pursuit of novel building blocks and reaction methodologies within the chemical community.In this paper,we present a cascade cyclization between alkenyl azomethine imines and furan-2(5H)-one to generate chiral coronal polyheterocyclic compounds with high yields and enantioselectivities,catalyzed by dipeptide-derived phosphonium salts.In-vitro biological activity assays highlight the potential of these chiral compounds in drug discovery.Additionally,density functional theory(DFT)calculations elucidate the pivotal role of phosphonium salts,demonstrating their cooperative activations via hydrogen bonding and ion-pairing interactions.展开更多
AIM:To compare the visual outcomes and corneal higherorder aberrations(HOAs)of patients with high or low myopic astigmatism after small incision lenticule extraction(SMILE).METHODS:A total of 157 eyes of 157 patients ...AIM:To compare the visual outcomes and corneal higherorder aberrations(HOAs)of patients with high or low myopic astigmatism after small incision lenticule extraction(SMILE).METHODS:A total of 157 eyes of 157 patients who underwent SMILE were included in this retrospective,nonrandomized,comparative study.All the eyes which were with the rule astigmatism were divided into high astigmatism group(HAG;astigmatism≤-2.00 D,73 eyes)and low astigmatism group(LAG;astigmatism≥-1.00 D,84 eyes).Visual and refractive examinations were performed,HOAs of the anterior surface,posterior surface,and total cornea of the eyes were evaluated preoperatively and 6mo postoperatively.RESULTS:At the postoperative 6-month follow-up,uncorrected distance visual acuity of 20/20 or better was achieved in 97%and 100%eyes in HAG and LAG respectively and 74%and 100%eyes were within-0.50 D.Vector analysis revealed no significant differences in the correction index(P=0.066),angle of error(P=0.091)or flattening index(P=0.987)between two groups.The magnitude of error was-0.37±0.31 D in HAG and-0.04±0.19 D in LAG(P<0.001).Index of success(IOS)was 0.22±0.09 in the HAG and 0.50±0.46 in the LAG(P<0.001).HOAs of most anterior,posterior and total cornea significantly increased after SMILE,especially the spherical aberration and coma.For HAG,the SMILE procedure induced significantly higher anterior,posterior and total cornea horizontal coma and total corneal total HOAs compared with LAG(P<0.001)and these surgically induced HOAs predominantly originated from the anterior surface of the cornea.CONCLUSION:SMILE surgery induces more HOAs and a mild under-correction of astigmatism in eyes with high astigmatism.The increment in HOAs after SMILE is related to preoperative astigmatism.展开更多
Higher-order modes of the neutron diffusion/transport equation can be used to study the temporal behavior of nuclear reactors and can be applied in modal analysis, transient analysis, and online monitoring of the reac...Higher-order modes of the neutron diffusion/transport equation can be used to study the temporal behavior of nuclear reactors and can be applied in modal analysis, transient analysis, and online monitoring of the reactor core. Both the deterministic method and the Monte Carlo(MC) method can be used to solve the higher-order modes. However, MC method, compared to the deterministic method, faces challenges in terms of computational efficiency and α mode calculation stability, whereas the deterministic method encounters issues arising from homogenization-related geometric and energy spectra adaptation.Based on the higher-order mode diffusion calculation code HARMONY, we developed a new higher-order mode calculation code, HARMONY2.0, which retains the functionality of computing λ and α higher-order modes from HARMONY1.0, but enhances the ability to treat complex geometries and arbitrary energy spectra using the MC-deterministic hybrid two-step strategy. In HARMONY2.0, the mesh homogenized multigroup constants were obtained using OpenMC in the first step,and higher-order modes were then calculated with the mesh homogenized core diffusion model using the implicitly restarted Arnoldi method(IRAM), which was also adopted in the HARMONY1.0 code. In addition, to improve the calculation efficiency, particularly in large higher-order modes, event-driven parallelization/domain decomposition methods are embedded in the HARMONY2.0 code to accelerate the inner iteration of λ∕α mode using OpenMP. Furthermore, the higher-order modes of complex geometric models, such as Hoogenboom and ATR reactors for λ mode and the MUSE-4 experiment facility for the prompt α mode, were computed using diffusion theory.展开更多
The higher-order Kaup-Newell equation is examined by applying the Fokas unified method on the half-line.We demonstrate that the solution can be expressed in relation to the resolution of the Riemann-Hilbert problem.Th...The higher-order Kaup-Newell equation is examined by applying the Fokas unified method on the half-line.We demonstrate that the solution can be expressed in relation to the resolution of the Riemann-Hilbert problem.The jump matrix for this problem is derived from the spectral matrix,which is calculated based on both the initial conditions and the boundary conditions.The jump matrix is explicitly dependent and expressed through the spectral functions,which are derived from the initial and boundary information,respectively.These spectral functions are interdependent and adhere to a so-called global relationship.展开更多
In this paper,the exact boundary controllability of the higher-order KdVtype equation on torus is studied.That is,given the initial and final states in the appropriate space,by adding the appropriate control function ...In this paper,the exact boundary controllability of the higher-order KdVtype equation on torus is studied.That is,given the initial and final states in the appropriate space,by adding the appropriate control function on the boundary,the solution of the system can transition from the initial state to the specified final value.Firstly,we establish the observability inequality for the higher-order KdV-type equation by Ingham inequality.Then,based on the observability inequality,Hilbert uniqueness method and a integral identity we obtain the exact boundary controllability of the higher-order KdV-type equation.展开更多
The first synthesis of flavanostilbenes with a 2-cyclohepten-1-one core was carried out by applying an effective strategy in three steps from abundant polymerized flavanol resources.A key regio-and stereoselective Cu-...The first synthesis of flavanostilbenes with a 2-cyclohepten-1-one core was carried out by applying an effective strategy in three steps from abundant polymerized flavanol resources.A key regio-and stereoselective Cu-mediated[5+2]cycloaddition/decarboxylation cascade was explored and applied without the use of protecting groups,and water as an environmentally friendly solvent contributed to the cascade.The intramolecular[5+2]cycloaddition mechanism,involving oxidation and dearomatization of the flavanol unit as a diene,was proposed and supported by the synthesis of the intermediate.The regioselectivity of the cyclization was found to be dependent on the substitution effects of the stilbene units by the exploration of substrate scope.展开更多
In recent years,there has been a surge of interest in higher-order topological phases(HOTPs)across various disciplines within the field of physics.These unique phases are characterized by their ability to harbor topol...In recent years,there has been a surge of interest in higher-order topological phases(HOTPs)across various disciplines within the field of physics.These unique phases are characterized by their ability to harbor topological protected boundary states at lower-dimensional boundaries,a distinguishing feature that sets them apart from conventional topological phases and is attributed to the higher-order bulk-boundary correspondence.Two-dimensional(2D)twisted systems offer an optimal platform for investigating HOTPs,owing to their strong controllability and experimental feasibility.Here,we provide a comprehensive overview of the latest research advancements on HOTPs in 2D twisted multilayer systems.We will mainly review the HOTPs in electronic,magnonic,acoustic,photonic and mechanical twisted systems,and finally provide a perspective of this topic.展开更多
We are concerned with a Camassa-Holm type equation with higher-order nonlinearity including some integrable peakon models such as the Camassa-Holm equation,the Degasperis-Procesi equation,and the Novikov equation.We s...We are concerned with a Camassa-Holm type equation with higher-order nonlinearity including some integrable peakon models such as the Camassa-Holm equation,the Degasperis-Procesi equation,and the Novikov equation.We show that all the horizontal symmetric waves for this equation must be traveling waves.This extends the previous results for the Camassa-Holm and Novikov equations.展开更多
Recent engineering applications increasingly adopt smart materials,whose mechanical responses are sensitive to magnetic and electric fields.In this context,new and computationally efficient modeling strategies are ess...Recent engineering applications increasingly adopt smart materials,whose mechanical responses are sensitive to magnetic and electric fields.In this context,new and computationally efficient modeling strategies are essential to predict the multiphysic behavior of advanced structures accurately.Therefore,the manuscript presents a higher-order formulation for the static analysis of laminated anisotropic magneto-electro-elastic doubly-curved shell structures.The fundamental relations account for the full coupling between the electric field,magnetic field,and mechanical elasticity.The configuration variables are expanded along the thickness direction using a generalized formulation based on the Equivalent Layer-Wise approach.Higher-order polynomials are selected,allowing for the assessment of prescribed values of the configuration variables at the top and bottom sides of solids.In addition,an effective strategy is provided for modeling general surface distributions of mechanical pressures and electromagnetic external fluxes.The model is based on a continuum-based formulation which employs an analytical homogenization of the multifield material properties,based on Mori&Tanaka approach,of a magneto-electro-elastic composite material obtained from a piezoelectric and a piezomagnetic phase,with coupled magneto-electro-elastic effects.A semi-analytical Navier solution is applied to the fundamental equations,and an efficient post-processing equilibrium-based procedure is here used,based on the numerical assessment with the Generalized Differential Quadrature(GDQ)method,to recover the response of three-dimensional shells.The formulation is validated through various examples,investigating the multifield response of panels of different curvatures and lamination schemes.An efficient homogenization procedure,based on the Mori&Tanaka approach,is employed to obtain the three-dimensional constitutive relation of magneto-electro-elastic materials.Each model is validated against three-dimensional finite-element simulations,as developed in commercial codes.Furthermore,the full coupling effect between the electric and magnetic response is evaluated via a parametric investigation,with useful insights for design purposes of many engineering applications.The paper,thus,provides a formulation for the magneto-electro-elastic analysis of laminated structures,with a high computational efficiency,since it provides results with three-dimensional capabilities with a two-dimensional formulation.The adoption of higher-order theories,indeed,allows us to efficiently predict not only the mechanical response of the structure as happens in existing literature,but also the through-the-thickness distribution of electric and magnetic variables.A novel higher-order theory has been proposed in this work for the magneto-electro-elastic analysis of laminated shell structures with varying curvatures.This theory employs a generalized method to model the distribution of the displacement field components,electrostatic,and magneto-static potential,accounting for higher-order polynomials.The thickness functions have been defined to prescribe the arbitrary values of configuration variables at the top and bottom surfaces,even though the model is ESL-based.The fundamental governing equations have been derived in curvilinear principal coordinates,considering all coupling effects among different physical phenomena,including piezoelectric,piezomagnetic,and magneto-electric effects.A homogenization algorithm based on a Mori&Tanaka approach has been adopted to obtain the equivalent magneto-electro-mechanical properties of a two-phase transversely isotropic composite.In addition,an effective method has been adopted involving the external loads in terms of surface tractions,as well as the electric and magnetic fluxes.In the post-processing stage,a GDQ-based procedure provides the actual 3D response of a doubly-curved solid.The model has been validated through significant numerical examples,showing that the results of this semi-analytical theory align well with those obtained from 3D numerical models from commercial codes.In particular,the accuracy of the model has been verified for lamination schemes with soft layers and various curvatures under different loading conditions.Moreover,this formulation has been used to predict the effect of combined electric and magnetic loads on the mechanical response of panels with different curvatures and lamination schemes.As a consequence,this theory can be applied in engineering applications where the combined effect of electric and magnetic loads is crucial,thus facilitating their study and design.An existing limitation of this study is that the solution is that it is derived only for structures with uniform curvature,cross-ply lamination scheme,and simply supported boundary conditions.Furthermore,it requires that each lamina within the stacking sequence exhibits magneto-electro-elastic behavior.Therefore,at the present stage,it cannot be used for multifield analysis of classical composite structures with magneto-electric patches.A further enhancement of the research work could be the derivation of a solution employing a numerical technique,to overcome the limitations of the Navier method.In this way,the same theory may be adopted to predict the multifield response of structures with variable curvatures and thickness,as well as anisotropic materials and more complicated boundary conditions.Acknowledgement:The authors are grateful to the Department of Innovation Engineering of Univer-sity of Salento for the support.展开更多
Under investigation is the n-component nonlinear Schrödinger equation with higher-order effects,which describes the ultrashort pulses in the birefringent fiber.Based on the Lax pair,the eigenfunction and generali...Under investigation is the n-component nonlinear Schrödinger equation with higher-order effects,which describes the ultrashort pulses in the birefringent fiber.Based on the Lax pair,the eigenfunction and generalized Darboux transformation are derived.Next,we construct several novel higher-order localized waves and classified them into three categories:(i)higher-order rogue waves interacting with bright/antidark breathers,(ii)higher-order breather fission/fusion,(iii)higherorder breather interacting with soliton.Moreover,we explore the effects of parameters on the structure,collision process and energy distribution of localized waves and these characteristics are significantly different from previous ones.Finally,the dynamical properties of these solutions are discussed in detail.展开更多
Developing an energy supply-chain based on renewable biomass holds great potential to build a low carbon society.High-energy-density(HED)jet fuel,featuring unique fused/strained cycloalkanes,is of great significance f...Developing an energy supply-chain based on renewable biomass holds great potential to build a low carbon society.High-energy-density(HED)jet fuel,featuring unique fused/strained cycloalkanes,is of great significance for volume-limited military aircrafts,as their high density and combustion heat can extend flight duration and increase the payload.Therefore,the exploration of biomass-based routes towards HED fuel has drawn much attention over the past decade.Cycloaddition reaction features rapid construction of various carbocycles in an atom-and step-economical fashion.This elegant strategy has been widely applied in the manufacture of sustainable HED fuel.Here we carefully summarize the progress achieved in this fascinating area and the review is categorized by the cycloaddition patterns including[4+2],[2+2],[4+4],and[2+1]cycloadditions.Besides,the energy densities of the as-prepared biofuels and petroleumbased fuels(conventional Jet-A and advanced JP-10)are also compared.This review will provide important insights into rational design of new HED fuel with different ring-types/sizes and inspire the chemists to turn those literature studies into practical applications in military field.展开更多
The catalytic asymmetric dipolar cycloaddition reaction is efficient for the construction of various chiral valuable carbo-and heterocycles.Thus,the design and exploration of new dipoles and the subsequent control of ...The catalytic asymmetric dipolar cycloaddition reaction is efficient for the construction of various chiral valuable carbo-and heterocycles.Thus,the design and exploration of new dipoles and the subsequent control of their reactivity for various stereoselective cycloadditions are significant aspects of modern organic synthesis.Herein,we have developed a series of vinyl cyclic carbamates containing an oxazolidine-2,4–dione fragment and used them as reactive precursors for in situ generation of amide-based aza-π-allylpalladium 1,3-dipoles,which could be applied to asymmetric decarboxylative 1,3-dipolar cycloaddition with different types of dipolarophiles containing C=C,C=N,and C=O double bonds.This strategy provides an opportunity for the synthesis of previously unusual structures,such as highly functionalized optically pure pyrrolidin-2-ones,imidazolidin-4-ones,and oxazolidin-4-ones.This protocol also has significant features including wide substrate scope,mild reaction conditions,simple operation,and good to excellent results(70 examples,up to 99%yield,>20:1 dr and 99%ee).This unique method significantly expands the reaction range of the amide-based aza-π-allylpalladium 1,3-dipoles compared to the precedents.展开更多
Thickness measurement plays an important role in the monitoring of pipeline corrosion damage. However, the requirement for prior knowledge of the shear wave velocity in the pipeline material for popular ultrasonic thi...Thickness measurement plays an important role in the monitoring of pipeline corrosion damage. However, the requirement for prior knowledge of the shear wave velocity in the pipeline material for popular ultrasonic thickness measurement limits its widespread application. This paper proposes a method that utilizes cylindrical shear horizontal(SH) guided waves to estimate pipeline thickness without prior knowledge of shear wave velocity. The inversion formulas are derived from the dispersion of higher-order modes with the high-frequency approximation. The waveform of the example problems is simulated using the real-axis integral method. The data points on the dispersion curves are processed in the frequency domain using the wave-number method. These extracted data are then substituted into the derived formulas. The results verify that employing higher-order SH guided waves for the evaluation of thickness and shear wave velocity yields less than1% error. This method can be applied to both metallic and non-metallic pipelines, thus opening new possibilities for health monitoring of pipeline structures.展开更多
基金financial support from the National Key Research and Development Program of China(2021YFB 3501501)the National Natural Science Foundation of China(No.22225803,22038001,22108007 and 22278011)+1 种基金Beijing Natural Science Foundation(No.Z230023)Beijing Science and Technology Commission(No.Z211100004321001).
文摘The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF structure database is available.In this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition reaction.The descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification criterion.The feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were discovered.Among them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.
文摘The first efficiently N-heterocyclic carbene-catalyzed[4+2]cycloaddition of salicylaldehydes and pyrazole-4,5-diones to directly synthesis of spiro-ketal-pyrazolones bearing both oxygens of the ketal unit in the same ring was disclosed.This reaction was qualified with broad substrate scope,achieving moderate to excellent yield(up to 98%).This method has mild reaction conditions and simple operation,providing a new attractive strategy for the practical syntheses of multifunctionalized spiroketals including pyrazolone structures with mild reaction condition and operational simplicity.Furthermore,the gram scale and derivative transformations have also been achieved.
文摘A visible-light-promoted[1+2]cycloaddition of gem-difluoroalkenes with aryl diazo esters provides an efficient and important route to 1,1-difluorocyclopropanes.The reaction conditions are mild,and the operation is very simple.A number of diazo esters and gem-difluoroalkenes are suitable for this reaction(36 examples),providing the desired products in good yields with excellent diastereoselectivity(>20∶1).
基金Supported by the National Natural Science Foundation of China(12061048)NSF of Jiangxi Province(20232BAB201026,20232BAB201018)。
文摘In this paper,a new technique is introduced to construct higher-order iterative methods for solving nonlinear systems.The order of convergence of some iterative methods can be improved by three at the cost of introducing only one additional evaluation of the function in each step.Furthermore,some new efficient methods with a higher-order of convergence are obtained by using only a single matrix inversion in each iteration.Analyses of convergence properties and computational efficiency of these new methods are made and testified by several numerical problems.By comparison,the new schemes are more efficient than the corresponding existing ones,particularly for large problem sizes.
文摘This paper deals with extensions of higher-order optimality conditions for scalar optimization to multiobjective optimization.A type of directional derivatives for a multiobjective function is proposed,and with this notion characterizations of strict local minima of order k for a multiobjective optimization problem with a nonempty set constraint are established,generalizing the corresponding scalar case obtained by Studniarski[3].Also necessary not sufficient and sufficient not necessary optimality conditions for this minima are derived based on our directional derivatives,which are generalizations of some existing scalar results and equivalent to some existing multiobjective ones.Many examples are given to illustrate them there.
基金Hong Kong Research Grants Council under the GRF(9043664).
文摘This article briefly reviews the topic of complex network synchronization,with its graph-theoretic criterion,showing that the homogeneous and symmetrical network structures are essential for optimal synchronization.Furthermore,it briefly reviews the notion of higher-order network topologies and shows their promising potential in application to evaluating the optimality of network synchronizability.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12305043 and 12165016)the Natural Science Foundation of Jiangsu Province(Grant No.BK20220511)+1 种基金the Project of Undergraduate Scientific Research(Grant No.22A684)the support from the Jiangsu Specially-Appointed Professor Program。
文摘Information spreading has been investigated for many years,but the mechanism of why the information explosively catches on overnight is still under debate.This explosive spreading phenomenon was usually considered driven separately by social reinforcement or higher-order interactions.However,due to the limitations of empirical data and theoretical analysis,how the higher-order network structure affects the explosive information spreading under the role of social reinforcement has not been fully explored.In this work,we propose an information-spreading model by considering the social reinforcement in real and synthetic higher-order networks,describable as hypergraphs.Depending on the average group size(hyperedge cardinality)and node membership(hyperdegree),we observe two different spreading behaviors:(i)The spreading progress is not sensitive to social reinforcement,resulting in the information localized in a small part of nodes;(ii)a strong social reinforcement will promote the large-scale spread of information and induce an explosive transition.Moreover,a large average group size and membership would be beneficial to the appearance of the explosive transition.Further,we display that the heterogeneity of the node membership and group size distributions benefit the information spreading.Finally,we extend the group-based approximate master equations to verify the simulation results.Our findings may help us to comprehend the rapidly information-spreading phenomenon in modern society.
基金Financial support from National Natural Science Foundation of China(Nos.21871282,22377113,22301309)Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB0590000)+6 种基金National Key Research and Development Program of China(No.2023YFA0914502)Taishan Scholar Program of Shandong Province(No.tsqn202306103,tsqn202306026)Postdoctoral Fellowship Program of CPSF(No.GZC20232509)Distinguished Young Scholars of Shandong Province(Overseas)(No.2022HWYQ-004)Shandong Postdoctoral Science Foundation(No.SDBX2023044)Qingdao Postdoctoral Science Foundation(No.QDBSH20230202048)the Fundamental Research Funds for the Central Universities(Ocean University of China)。
文摘Pyrazolidinones,as significant analogs ofβ-lactam antibiotics,have garnered substantial interest for their enantioselective synthesis.Azomethine imines,recognized as valuable building blocks for the construction of these nitrogen-containing compounds,underscore the continuous pursuit of novel building blocks and reaction methodologies within the chemical community.In this paper,we present a cascade cyclization between alkenyl azomethine imines and furan-2(5H)-one to generate chiral coronal polyheterocyclic compounds with high yields and enantioselectivities,catalyzed by dipeptide-derived phosphonium salts.In-vitro biological activity assays highlight the potential of these chiral compounds in drug discovery.Additionally,density functional theory(DFT)calculations elucidate the pivotal role of phosphonium salts,demonstrating their cooperative activations via hydrogen bonding and ion-pairing interactions.
文摘AIM:To compare the visual outcomes and corneal higherorder aberrations(HOAs)of patients with high or low myopic astigmatism after small incision lenticule extraction(SMILE).METHODS:A total of 157 eyes of 157 patients who underwent SMILE were included in this retrospective,nonrandomized,comparative study.All the eyes which were with the rule astigmatism were divided into high astigmatism group(HAG;astigmatism≤-2.00 D,73 eyes)and low astigmatism group(LAG;astigmatism≥-1.00 D,84 eyes).Visual and refractive examinations were performed,HOAs of the anterior surface,posterior surface,and total cornea of the eyes were evaluated preoperatively and 6mo postoperatively.RESULTS:At the postoperative 6-month follow-up,uncorrected distance visual acuity of 20/20 or better was achieved in 97%and 100%eyes in HAG and LAG respectively and 74%and 100%eyes were within-0.50 D.Vector analysis revealed no significant differences in the correction index(P=0.066),angle of error(P=0.091)or flattening index(P=0.987)between two groups.The magnitude of error was-0.37±0.31 D in HAG and-0.04±0.19 D in LAG(P<0.001).Index of success(IOS)was 0.22±0.09 in the HAG and 0.50±0.46 in the LAG(P<0.001).HOAs of most anterior,posterior and total cornea significantly increased after SMILE,especially the spherical aberration and coma.For HAG,the SMILE procedure induced significantly higher anterior,posterior and total cornea horizontal coma and total corneal total HOAs compared with LAG(P<0.001)and these surgically induced HOAs predominantly originated from the anterior surface of the cornea.CONCLUSION:SMILE surgery induces more HOAs and a mild under-correction of astigmatism in eyes with high astigmatism.The increment in HOAs after SMILE is related to preoperative astigmatism.
基金supported by the National Natural Science Foundation of China(No.U2267207)Science and Technology on Reactor System Design Technology Laboratory(No.KFKT-05-FWHTWU-2023004).
文摘Higher-order modes of the neutron diffusion/transport equation can be used to study the temporal behavior of nuclear reactors and can be applied in modal analysis, transient analysis, and online monitoring of the reactor core. Both the deterministic method and the Monte Carlo(MC) method can be used to solve the higher-order modes. However, MC method, compared to the deterministic method, faces challenges in terms of computational efficiency and α mode calculation stability, whereas the deterministic method encounters issues arising from homogenization-related geometric and energy spectra adaptation.Based on the higher-order mode diffusion calculation code HARMONY, we developed a new higher-order mode calculation code, HARMONY2.0, which retains the functionality of computing λ and α higher-order modes from HARMONY1.0, but enhances the ability to treat complex geometries and arbitrary energy spectra using the MC-deterministic hybrid two-step strategy. In HARMONY2.0, the mesh homogenized multigroup constants were obtained using OpenMC in the first step,and higher-order modes were then calculated with the mesh homogenized core diffusion model using the implicitly restarted Arnoldi method(IRAM), which was also adopted in the HARMONY1.0 code. In addition, to improve the calculation efficiency, particularly in large higher-order modes, event-driven parallelization/domain decomposition methods are embedded in the HARMONY2.0 code to accelerate the inner iteration of λ∕α mode using OpenMP. Furthermore, the higher-order modes of complex geometric models, such as Hoogenboom and ATR reactors for λ mode and the MUSE-4 experiment facility for the prompt α mode, were computed using diffusion theory.
文摘The higher-order Kaup-Newell equation is examined by applying the Fokas unified method on the half-line.We demonstrate that the solution can be expressed in relation to the resolution of the Riemann-Hilbert problem.The jump matrix for this problem is derived from the spectral matrix,which is calculated based on both the initial conditions and the boundary conditions.The jump matrix is explicitly dependent and expressed through the spectral functions,which are derived from the initial and boundary information,respectively.These spectral functions are interdependent and adhere to a so-called global relationship.
文摘In this paper,the exact boundary controllability of the higher-order KdVtype equation on torus is studied.That is,given the initial and final states in the appropriate space,by adding the appropriate control function on the boundary,the solution of the system can transition from the initial state to the specified final value.Firstly,we establish the observability inequality for the higher-order KdV-type equation by Ingham inequality.Then,based on the observability inequality,Hilbert uniqueness method and a integral identity we obtain the exact boundary controllability of the higher-order KdV-type equation.
基金financial surpport from the CAMS Innovation Fund for Medical Sciences(CIFMS,No.2021-I2M-1-028)supported by Biomedical High Performance Computing Platform,Chinese Academy of Medical Sciences。
文摘The first synthesis of flavanostilbenes with a 2-cyclohepten-1-one core was carried out by applying an effective strategy in three steps from abundant polymerized flavanol resources.A key regio-and stereoselective Cu-mediated[5+2]cycloaddition/decarboxylation cascade was explored and applied without the use of protecting groups,and water as an environmentally friendly solvent contributed to the cascade.The intramolecular[5+2]cycloaddition mechanism,involving oxidation and dearomatization of the flavanol unit as a diene,was proposed and supported by the synthesis of the intermediate.The regioselectivity of the cyclization was found to be dependent on the substitution effects of the stilbene units by the exploration of substrate scope.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12304539,12074108,12474151,12347101)the Natural Science Foundation of Chongqing(Grant No.CSTB2022NSCQ-MSX0568)Beijing National Laboratory for Condensed Matter Physics(Grant No.2024BNLCMPKF025)。
文摘In recent years,there has been a surge of interest in higher-order topological phases(HOTPs)across various disciplines within the field of physics.These unique phases are characterized by their ability to harbor topological protected boundary states at lower-dimensional boundaries,a distinguishing feature that sets them apart from conventional topological phases and is attributed to the higher-order bulk-boundary correspondence.Two-dimensional(2D)twisted systems offer an optimal platform for investigating HOTPs,owing to their strong controllability and experimental feasibility.Here,we provide a comprehensive overview of the latest research advancements on HOTPs in 2D twisted multilayer systems.We will mainly review the HOTPs in electronic,magnonic,acoustic,photonic and mechanical twisted systems,and finally provide a perspective of this topic.
基金partially supported by the National Natural Science Foundation of China(Grant No.12201417)the Project funded by the China Postdoctoral Science Foundation(Grant No.2023M733173)partially supported by the National Natural Science Foundation of China(Grant No.12375006)。
文摘We are concerned with a Camassa-Holm type equation with higher-order nonlinearity including some integrable peakon models such as the Camassa-Holm equation,the Degasperis-Procesi equation,and the Novikov equation.We show that all the horizontal symmetric waves for this equation must be traveling waves.This extends the previous results for the Camassa-Holm and Novikov equations.
基金funded by the Project PNRR M4C2—Innovation Grant DIRECT:Digital twIns foR EmergenCy supporT—CUP F83C22000740001.
文摘Recent engineering applications increasingly adopt smart materials,whose mechanical responses are sensitive to magnetic and electric fields.In this context,new and computationally efficient modeling strategies are essential to predict the multiphysic behavior of advanced structures accurately.Therefore,the manuscript presents a higher-order formulation for the static analysis of laminated anisotropic magneto-electro-elastic doubly-curved shell structures.The fundamental relations account for the full coupling between the electric field,magnetic field,and mechanical elasticity.The configuration variables are expanded along the thickness direction using a generalized formulation based on the Equivalent Layer-Wise approach.Higher-order polynomials are selected,allowing for the assessment of prescribed values of the configuration variables at the top and bottom sides of solids.In addition,an effective strategy is provided for modeling general surface distributions of mechanical pressures and electromagnetic external fluxes.The model is based on a continuum-based formulation which employs an analytical homogenization of the multifield material properties,based on Mori&Tanaka approach,of a magneto-electro-elastic composite material obtained from a piezoelectric and a piezomagnetic phase,with coupled magneto-electro-elastic effects.A semi-analytical Navier solution is applied to the fundamental equations,and an efficient post-processing equilibrium-based procedure is here used,based on the numerical assessment with the Generalized Differential Quadrature(GDQ)method,to recover the response of three-dimensional shells.The formulation is validated through various examples,investigating the multifield response of panels of different curvatures and lamination schemes.An efficient homogenization procedure,based on the Mori&Tanaka approach,is employed to obtain the three-dimensional constitutive relation of magneto-electro-elastic materials.Each model is validated against three-dimensional finite-element simulations,as developed in commercial codes.Furthermore,the full coupling effect between the electric and magnetic response is evaluated via a parametric investigation,with useful insights for design purposes of many engineering applications.The paper,thus,provides a formulation for the magneto-electro-elastic analysis of laminated structures,with a high computational efficiency,since it provides results with three-dimensional capabilities with a two-dimensional formulation.The adoption of higher-order theories,indeed,allows us to efficiently predict not only the mechanical response of the structure as happens in existing literature,but also the through-the-thickness distribution of electric and magnetic variables.A novel higher-order theory has been proposed in this work for the magneto-electro-elastic analysis of laminated shell structures with varying curvatures.This theory employs a generalized method to model the distribution of the displacement field components,electrostatic,and magneto-static potential,accounting for higher-order polynomials.The thickness functions have been defined to prescribe the arbitrary values of configuration variables at the top and bottom surfaces,even though the model is ESL-based.The fundamental governing equations have been derived in curvilinear principal coordinates,considering all coupling effects among different physical phenomena,including piezoelectric,piezomagnetic,and magneto-electric effects.A homogenization algorithm based on a Mori&Tanaka approach has been adopted to obtain the equivalent magneto-electro-mechanical properties of a two-phase transversely isotropic composite.In addition,an effective method has been adopted involving the external loads in terms of surface tractions,as well as the electric and magnetic fluxes.In the post-processing stage,a GDQ-based procedure provides the actual 3D response of a doubly-curved solid.The model has been validated through significant numerical examples,showing that the results of this semi-analytical theory align well with those obtained from 3D numerical models from commercial codes.In particular,the accuracy of the model has been verified for lamination schemes with soft layers and various curvatures under different loading conditions.Moreover,this formulation has been used to predict the effect of combined electric and magnetic loads on the mechanical response of panels with different curvatures and lamination schemes.As a consequence,this theory can be applied in engineering applications where the combined effect of electric and magnetic loads is crucial,thus facilitating their study and design.An existing limitation of this study is that the solution is that it is derived only for structures with uniform curvature,cross-ply lamination scheme,and simply supported boundary conditions.Furthermore,it requires that each lamina within the stacking sequence exhibits magneto-electro-elastic behavior.Therefore,at the present stage,it cannot be used for multifield analysis of classical composite structures with magneto-electric patches.A further enhancement of the research work could be the derivation of a solution employing a numerical technique,to overcome the limitations of the Navier method.In this way,the same theory may be adopted to predict the multifield response of structures with variable curvatures and thickness,as well as anisotropic materials and more complicated boundary conditions.Acknowledgement:The authors are grateful to the Department of Innovation Engineering of Univer-sity of Salento for the support.
基金Project supported by the National Natural Science Foundation of China(Grant No.12271096)the Natural Science Foundation of Fujian Province(Grant No.2021J01302)。
文摘Under investigation is the n-component nonlinear Schrödinger equation with higher-order effects,which describes the ultrashort pulses in the birefringent fiber.Based on the Lax pair,the eigenfunction and generalized Darboux transformation are derived.Next,we construct several novel higher-order localized waves and classified them into three categories:(i)higher-order rogue waves interacting with bright/antidark breathers,(ii)higher-order breather fission/fusion,(iii)higherorder breather interacting with soliton.Moreover,we explore the effects of parameters on the structure,collision process and energy distribution of localized waves and these characteristics are significantly different from previous ones.Finally,the dynamical properties of these solutions are discussed in detail.
基金supported by the National Key R&D Program of China(2022YFB4201802)the Xuzhou Basic Research Project(KC23018)+1 种基金the Fundamental Research Funds for the Central Universities(2023-00104)the Priority Academic Program Development of Jiangsu Higher Education Institutions。
文摘Developing an energy supply-chain based on renewable biomass holds great potential to build a low carbon society.High-energy-density(HED)jet fuel,featuring unique fused/strained cycloalkanes,is of great significance for volume-limited military aircrafts,as their high density and combustion heat can extend flight duration and increase the payload.Therefore,the exploration of biomass-based routes towards HED fuel has drawn much attention over the past decade.Cycloaddition reaction features rapid construction of various carbocycles in an atom-and step-economical fashion.This elegant strategy has been widely applied in the manufacture of sustainable HED fuel.Here we carefully summarize the progress achieved in this fascinating area and the review is categorized by the cycloaddition patterns including[4+2],[2+2],[4+4],and[2+1]cycloadditions.Besides,the energy densities of the as-prepared biofuels and petroleumbased fuels(conventional Jet-A and advanced JP-10)are also compared.This review will provide important insights into rational design of new HED fuel with different ring-types/sizes and inspire the chemists to turn those literature studies into practical applications in military field.
基金the National Natural Science Foundation of China(Nos.22271027,22171029,21901024,21871252,21801024,and 21801026)the Sichuan Science and Technology Program(No.2021YFS0315)the Talent Program of Chengdu University(Nos.2081919035 and 2081921038)。
文摘The catalytic asymmetric dipolar cycloaddition reaction is efficient for the construction of various chiral valuable carbo-and heterocycles.Thus,the design and exploration of new dipoles and the subsequent control of their reactivity for various stereoselective cycloadditions are significant aspects of modern organic synthesis.Herein,we have developed a series of vinyl cyclic carbamates containing an oxazolidine-2,4–dione fragment and used them as reactive precursors for in situ generation of amide-based aza-π-allylpalladium 1,3-dipoles,which could be applied to asymmetric decarboxylative 1,3-dipolar cycloaddition with different types of dipolarophiles containing C=C,C=N,and C=O double bonds.This strategy provides an opportunity for the synthesis of previously unusual structures,such as highly functionalized optically pure pyrrolidin-2-ones,imidazolidin-4-ones,and oxazolidin-4-ones.This protocol also has significant features including wide substrate scope,mild reaction conditions,simple operation,and good to excellent results(70 examples,up to 99%yield,>20:1 dr and 99%ee).This unique method significantly expands the reaction range of the amide-based aza-π-allylpalladium 1,3-dipoles compared to the precedents.
基金Project supported by the Natural Science Foundation of Jilin Province of China(Grant Nos.20240402081GH and 20220101012JC)the National Natural Science Foundation of China(Grant No.42074139)the State Key Laboratory of Acoustics,Chinese Academy of Sciences(Grant No.SKLA202308)。
文摘Thickness measurement plays an important role in the monitoring of pipeline corrosion damage. However, the requirement for prior knowledge of the shear wave velocity in the pipeline material for popular ultrasonic thickness measurement limits its widespread application. This paper proposes a method that utilizes cylindrical shear horizontal(SH) guided waves to estimate pipeline thickness without prior knowledge of shear wave velocity. The inversion formulas are derived from the dispersion of higher-order modes with the high-frequency approximation. The waveform of the example problems is simulated using the real-axis integral method. The data points on the dispersion curves are processed in the frequency domain using the wave-number method. These extracted data are then substituted into the derived formulas. The results verify that employing higher-order SH guided waves for the evaluation of thickness and shear wave velocity yields less than1% error. This method can be applied to both metallic and non-metallic pipelines, thus opening new possibilities for health monitoring of pipeline structures.
