Under the background of the current energy crisis and environmental pollution,the development of green and sustainable materials has become particularly urgent.As one of the most abundant natural polymers on earth,cel...Under the background of the current energy crisis and environmental pollution,the development of green and sustainable materials has become particularly urgent.As one of the most abundant natural polymers on earth,cellulose has attracted wide attention due to its green recycling,sustainable development,degradability,and low cost.Therefore,cellulose and its derivatives were used as the starting point for comprehensive analysis.First,the basic structural properties of cellulose were discussed,and then the extraction and utilization methods of cellulose were reviewed,including Sodium Hydroxide based solvent system,N,N-Dimethylacetamide/Lithium Chloride System,N-Methylmorpholine-N-Oxide(NMMO)system,ionic liquids(ILs)system,and deep eutectic solvent(DES)system.Then,the functional modification techniques of cellulose are introduced,including nano-modification,small molecule modification,and macromolecular modification.Finally,the potential applications of cellulose in the fields of reinforcement materials,self-healing materials,radioactive cooling,nanogenerators,and biomedicine were discussed.At the end of this paper,the challenges and future development direction of cellulose materials are prospectively analyzed,aiming at providing guidance and inspiration for the research and application in related fields.展开更多
Fibrillization endows food proteins with anisotropic nanostructures,significantly enhancing their functional properties.The resultant food protein fibrils(FPFs)have garnered attention for their diverse applications ac...Fibrillization endows food proteins with anisotropic nanostructures,significantly enhancing their functional properties.The resultant food protein fibrils(FPFs)have garnered attention for their diverse applications across the food industry.However,the full potential of FPFs is hindered by inherent challenges,particularly their limited stability.This review critically examines the formation of FPFs in food processing,the new protein sources,and on the modification strategies of FPFs,thereby unlocking new avenues for FPF utilization in food processing.In particular,the strategies during and after fibrillization are highlighted.The first strategy is to modify the structure and function of protein fibrils by influencing fibrillization,such as through pretreatment,incubation conditions,nuclei induction,and ingredient interactions.The second strategy is to modify the mature FPFs by regulating their properties and interactions with other components.The review also discusses the potential applications and challenges of FPFs in food systems,such as food preservation,functional food design,and novel delivery carriers.展开更多
Research into lactylation modifications across various target organs in both health and disease has gained significant attention.Many essential life processes and the onset of diseases are not only related to protein ...Research into lactylation modifications across various target organs in both health and disease has gained significant attention.Many essential life processes and the onset of diseases are not only related to protein abundance but are also primarily regulated by various post-translational protein modifications.Lactate,once considered merely a byproduct of anaerobic metabolism,has emerged as a crucial energy substrate and signaling molecule involved in both physiological and pathological processes within the nervous system.Furthermore,recent studies have emphasized the significant role of lactate in numerous neurological diseases,including Alzheimer's disease,Parkinson's disease,acute cerebral ischemic stroke,multiple sclerosis,Huntington's disease,and myasthenia gravis.The purpose of this review is to synthesize the current research on lactate and lactylation modifications in neurological diseases,aiming to clarify their mechanisms of action and identify potential therapeutic targets.As such,this work provides an overview of the metabolic regulatory roles of lactate in various disorders,emphasizing its involvement in the regulation of brain function.Additionally,the specific mechanisms of brain lactate metabolism are discussed,suggesting the unique roles of lactate in modulating brain function.As a critical aspect of lactate function,lactylation modifications,including both histone and non-histone lactylation,are explored,with an emphasis on recent advancements in identifying the key regulatory enzymes of such modifications,such as lactylation writers and erasers.The effects and specific mechanisms of abnormal lactate metabolism in diverse neurological diseases are summarized,revealing that lactate acts as a signaling molecule in the regulation of brain functions and that abnormal lactate metabolism is implicated in the progression of various neurological disorders.Future research should focus on further elucidating the molecular mechanisms underlying lactate and lactylation modifications and exploring their potential as therapeutic targets for neurological diseases.展开更多
The ReaxFF can describe the properties of energetic materials(EMs)at equilibrium state,but does not work properly in simulating high-energy particle irradiation process because of its weak short-range interaction.In t...The ReaxFF can describe the properties of energetic materials(EMs)at equilibrium state,but does not work properly in simulating high-energy particle irradiation process because of its weak short-range interaction.In this paper,a modification was made for such a potential by connecting ZieglerBiersack-Littmark(ZBL)potential to ReaxFF-lg through comparing to Density Functional Theory(DFT)results to accurately describe short-range interactions.After modification,the newly fitted ReaxFF-lg/ZBL potential predicts better the equation of state for EMs In displacement cascade simulations,comparing to results from ab initio molecular dynamics(AIMD),ReaxFF-lg/ZBL presented the similar transferred energy from a primary knock-on atom to surrounding atoms,better than the original ReaxFF-lg potential.Further large-scale displacement cascade simulations indicated ReaxFF-lg/ZBL could be applied for cascade simulations with PKA energy from less than 1 keV to high energy(e.g.35 keV)cases,which is suitable for effectively simulating high-energy displacement cascades in EMs using molecular dynamics method.展开更多
Metal-organic frameworks（MOFs） are a unique class of porous crystalline materials that have shown promise for a wide range of applications. MOFs have been explored as a new type of heterogeneous catalytic materials,...Metal-organic frameworks（MOFs） are a unique class of porous crystalline materials that have shown promise for a wide range of applications. MOFs have been explored as a new type of heterogeneous catalytic materials, because of their high surface area, uniform and tunable pores, facile functionalization and incorporation of catalytic active sites. The use of multi-functional sites MOF materials as catalysts for synergistic catalysis and tandem reactions has attracted increasing attention. In this review, we aim to introduce the construction of bi-or multi-functional MOF catalysts with cooperative or cascade functions via post-synthetic modification（PSM）.展开更多
Late-stage modification of peptides and proteins meets the increasing demand in biochemical and pharmaceutical communities. These modification strategies could provide functionalized nonproteinogenic analogues with en...Late-stage modification of peptides and proteins meets the increasing demand in biochemical and pharmaceutical communities. These modification strategies could provide functionalized nonproteinogenic analogues with enhanced biological activities or improved therapeutic capabilities compared to their natural counterparts. Recent years, transition-metal-promoted functionalization of ubiquitous C-H bonds has been emerged as a powerful and tunable tool in this area, both for backbone diversifications and labeling of specific moieties. These reactions were flexible and expedient in both academic and industrial laboratories, especially considering their atom and step-economy, good functional group compatibility, accurate site selectivity. This review surveys the progress achieved in the late-stage modification of peptides and proteins utilizing transition-metal-catalyzed C-H functionalization with C-C and C-X(F, Cl, O, N, B, etc.) bonds formation.展开更多
Chemical modification of polymers represents a pivotal method for achieving functionalized polymer materials.However,due to the lack of post-functional handle,the chemical modification of polyester materials remains a...Chemical modification of polymers represents a pivotal method for achieving functionalized polymer materials.However,due to the lack of post-functional handle,the chemical modification of polyester materials remains a significant challenge.Ring-opening copolymerization of cyclic anhydride and epoxides is a powerful approach to synthesize polyesters.In this work,we for the first time demonstrate the functionalizability of polyesters synthesized with brominated anhydride monomers.The post-functionalization is amenable to a wide variety of reactive groups and reactions with high yields.With multiple well-established functionalization pathways of brominated polyester materials and optimized the conditions for the modification reactions,a series of functionalized polyester materials can be obtained with high yields,providing new insights for the research about functionalization of polymers.展开更多
Studies have shown that modified dietary fiber has better physical and chemical properties and functions,and can better play its physiological effects.This paper systematically and comprehensively expounded the applic...Studies have shown that modified dietary fiber has better physical and chemical properties and functions,and can better play its physiological effects.This paper systematically and comprehensively expounded the application progress of chemical separation method,microbial fermentation method,physical method,enzyme method and steam explosion method in dietary fiber modification,and expounded the development prospect of modified dietary fiber,so as to provide reference for further study on development and application of dietary fiber.展开更多
A technique of shape modification and deformation for parametric curvesthrough cosine extension function (CEF) is presented. First, a special extension function isdefined, based on which a shape operator matrix is con...A technique of shape modification and deformation for parametric curvesthrough cosine extension function (CEF) is presented. First, a special extension function isdefined, based on which a shape operator matrix is constructed. Then combining such matrix with thecenter of extension and principal directions, two kinds of deformation matrices are defined.Finally, curve deformation is achieved through multiplying its position vector in a local coordinatesystem by deformation matrix or adding the multiplication of a vector field and quasi-deformationmatrix to its position vector in the original coordinate system. Since CEF contains several variableparameters, each of which generates a different effect of shape modification such as controllingthe degree of continuity of the modified part of curve with the unchanged part, ideal deformationeffects can be got fairly and easily. Examples of theoretical analysis show that the method ispotentially useful for geometric modeling, computer graphics and so on.展开更多
To tackle energy crisis and achieve sustainable development, aqueous rechargeable zinc ion batteries have gained widespread attention in large-scale energy storage for their low cost, high safety, high theoretical cap...To tackle energy crisis and achieve sustainable development, aqueous rechargeable zinc ion batteries have gained widespread attention in large-scale energy storage for their low cost, high safety, high theoretical capacity, and environmental compatibility in recent years. However, zinc anode in aqueous zinc ion batteries is still facing several challenges such as dendrite growth and side reactions(e.g., hydrogen evolution), which cause poor reversibility and the failure of batteries. To address these issues, interfacial modification of Zn anodes has received great attention by tuning the interaction between the anode and the electrolyte. Herein, we present recent advances in the interfacial modification of zinc anode in this review. Besides, the challenges of reported approaches of interfacial modification are also discussed.Finally, we provide an outlook for the exploration of novel zinc anode for aqueous zinc ion batteries.We hope that this review will be helpful in designing and fabricating dendrite-free and hydrogenevolution-free Zn anodes and promoting the practical application of aqueous rechargeable zinc ion batteries.展开更多
Progress in surface modification of magnetic nanoparticles（MNPs） is summarized with regard to organic molecules,macromolecules and inorganic materials. Many researchers are now devoted to synthesizing new types of m...Progress in surface modification of magnetic nanoparticles（MNPs） is summarized with regard to organic molecules,macromolecules and inorganic materials. Many researchers are now devoted to synthesizing new types of multi-functional MNPs, which show great application potential in both diagnosis and treatment of disease. By employing an ever-greater variety of surface modification techniques, MNPs can satisfy more and more of the demands of medical practice in areas like magnetic resonance imaging（MRI）, fluorescent marking, cell targeting, and drug delivery.展开更多
Based on Newton ' s second law,the bend-torsion-shaft coupling nonlinear dynamic model and equations of power split gear transmission system are established.According to the principle of tooth profile modification...Based on Newton ' s second law,the bend-torsion-shaft coupling nonlinear dynamic model and equations of power split gear transmission system are established.According to the principle of tooth profile modification,the tooth profile modification is considered as time-varying gear backlash function acting along the line of action.Then the dynamic functions are solved by using Runge-Kutta numerical method.After analyzing the effect of tooth profile modification quantity( TPMQ) and relative tooth profile modification length( TPML) to the nonlinear dynamic characteristics of power split gear transmission,the following conclusions are drawn:1 The TPMQ of a certain stage transmission affects the vibration of its own stage more significantly than the other stage,and the coupling effect between two stages can be ignored usually in the modification design;2 If the first stage TPMLs are less than 0.3,the influence of the first stage TPMLs to the first stage transmission vibration is much more greatly than the influence of the second stage TPMLs to the first stage transmission vibration,or else both the first and second stage TPMLs affect the first stage transmission vibration largely.The same is true for the second stage TPMLs,and the cutoff value is 0.2;3 The TPMQ affects the vibration of power split gear transmission system more principally than the TPML,and should be top-priority in the modification design.展开更多
Deficits in intrinsic neuronal capacities in the spinal cord,a lack of growth support,and suppression of axonal outgrowth by inhibitory molecules mean that spinal cord injury almost always has devastating consequences...Deficits in intrinsic neuronal capacities in the spinal cord,a lack of growth support,and suppression of axonal outgrowth by inhibitory molecules mean that spinal cord injury almost always has devastating consequences.As such,one of the primary targets for the treatment of spinal cord injury is to develop strategies to antagonize extrinsic or intrinsic axonal growth-inhibitory factors or enhance the factors that support axonal growth.Among these factors,a series of individual protein level disorders have been identified during the generation of axons following spinal cord injury.Moreover,an increasing number of studies have indicated that post-translational modifications of these proteins have important implications for axonal growth.Some researchers have discovered a variety of post-translational modifications after spinal cord injury,such as tyrosination,acetylation,and phosphorylation.In this review,we reviewed the post-translational modifications for axonal growth,functional recovery,and neuropathic pain after spinal cord injury,a better understanding of which may elucidate the dynamic change of spinal cord injury-related molecules and facilitate the development of a new therapeutic strategy for spinal cord injury.展开更多
Acha grain (Digitariaexilis) starch was isolated and subjected to chemical modifications by acetylation, benzylation, succinylation, carboxymethylation and acid-thining. Functional properties (swelling, solubility, ge...Acha grain (Digitariaexilis) starch was isolated and subjected to chemical modifications by acetylation, benzylation, succinylation, carboxymethylation and acid-thining. Functional properties (swelling, solubility, gelation, oil and water absorption capacities, alkaline water retention) and rheological properties of the native and modified starches were determined. Swelling power and solubility of the starch samples increased with increase in temperature. Swelling power and solubility were pH dependent, with maximum values obtained at pH 12 in both native and modified starches. Increasing degree of alkalinity increased both solubility and swelling capacity. Water absorption capacities of chemically modified starches decreased, but acetylated starch, ATAS showed higher value compared to the native and also chemically modified starches improved oil absorption capacity of the native starch. The modified starches showed increase in alkaline water retention. Gelation studies revealed that ACAS had higher LGC than the native while some chemically modified starches did not alter the gelation capacity of the native starch except for BAS and ACAS with LGC of 10% and 16% v/w. There were significant differences in functional properties between native and chemically modified starches from acha, so chemical modification improved functional properties. Chemical modifications increased pasting temperature except for ATAS and BAS. Set-back values were reduced after modifications, indicating that modification would minimize starch retrogradation.展开更多
In the past,evaluations of ecosystem functions were mostly based on Costanza's model,whereas the spatial,quality and temporal characteristics of regional ecosystems were not considered in the model.Focusing on the...In the past,evaluations of ecosystem functions were mostly based on Costanza's model,whereas the spatial,quality and temporal characteristics of regional ecosystems were not considered in the model.Focusing on these issues,coefficients of regional difference,spatial heterogeneity and willingness-to-pay(WTP)were established to modify Costanza's model,and a new comprehensive valuation model of ecosystem functions is proposed.The analytical results indicate that the comprehensive model could evaluate regional ecosystem functions in China accurately and provide more helpful information for decision-making.The empirical study on Zhangbei County in Hebei Province shows that the intensive human activities could limit the provision of ecosystem functions while the planned ecological programs might promote the restoration of ecosystem functions.展开更多
The surface modification of the tourmaline powder with triethoxyvinylsilane was studied to prepare the polymerizable organic tourmaline.The experimental results showed that the surface of modified tourmaline had the b...The surface modification of the tourmaline powder with triethoxyvinylsilane was studied to prepare the polymerizable organic tourmaline.The experimental results showed that the surface of modified tourmaline had the better hydrophobicity compared with unmodified tourmaline,when the mass ratio of triethoxyvinylsilane to tourmaline powder was 1∶5,and reacted at 60 ℃for 1.5hin the mixed-solvent of ethanol and distilled water(1∶5in volume ratio).The structure characterization results indicated that the vinylsiloxane was introduced into the surface of tourmaline powder to generate the polymerizable organic tourmaline,and the crystal structure of tourmaline had no change.展开更多
An efficient finite element model of involute helical gear is presented. A program based on compliance matrix method is developed for the calculation of instantaneous meshing stiffness, and the relationship between th...An efficient finite element model of involute helical gear is presented. A program based on compliance matrix method is developed for the calculation of instantaneous meshing stiffness, and the relationship between the rate of meshing stiffness and overlap ratio is given. On the basis of stiffness calculation, an optimization program for the optimal design of profile modification is developed according to the principle of internal point punishment function method.展开更多
For the reduction of bovine serum proteins from wastewater,a novel mixed matrix membrane was prepared by functionalizing the substrate material polyaryletherketone(PAEK),followed by carboxyl groups(C-SPAEKS),and then ...For the reduction of bovine serum proteins from wastewater,a novel mixed matrix membrane was prepared by functionalizing the substrate material polyaryletherketone(PAEK),followed by carboxyl groups(C-SPAEKS),and then adding amino-functionalized UiO-66-NH_(2)(Am-UiO-66-NH_(2)).Aminofunctionalization of UiO-66 was accomplished by melamine,followed by an amidation reaction to immobilize Am-UiO-66-NH_(2),which was immobilized on the surface of the membrane as well as in the pore channels,which enhanced the hydrophilicity of the membrane surface while increasing the negative potential of the membrane surface.This nanoparticle-loaded ultrafiltration membrane has good permeation performance,with a pure water flux of up to 482.3 L·m^(-2)·h^(-1) for C-SPAEKS/AmUiO-66-NH_(2) and a retention rate of up to 98.7%for bovine serum albumin(BSA)-contaminated solutions.Meanwhile,after several hydrophilic modifications,the flux recovery of BSA contaminants by this series of membranes increased from 56.2%to 80.55%of pure membranes.The results of ultra-filtration flux time tests performed at room temperature showed that the series of ultrafiltration membranes remained relatively stable over a test time of 300 min.Thus,the newly developed mixed matrix membrane showed potential for high efficiency and stability in wastewater treatment containing bovine serum proteins.展开更多
Recently, we reported the first VOx/SiO2 ethylene polymerization catalyst for making Cl-free UHMWPE, and found the dominant promotion effects of Al-/Ti-/Zr-modifications over this catalyst system(Macromol. Chem. Phys....Recently, we reported the first VOx/SiO2 ethylene polymerization catalyst for making Cl-free UHMWPE, and found the dominant promotion effects of Al-/Ti-/Zr-modifications over this catalyst system(Macromol. Chem. Phys. 2017, 218, 1600443). In this work, density functional theory is applied to investigate the underlying mechanism of this remarkable promotion effect of Al-/Ti-/Zrmodifications on a molecular and atomic level. The cluster model with V(Ⅲ) is found to be the most possible active site due to its lowest overall energy barrier for monomer insertion, though the process of C2H4 coordination and the subsequent formation of transition state are most energy favored for V(Ⅱ) species. By modifying one of or both V―O―Si in the active model with V―O―M(M = Al, Ti, or Zr),the energy barrier for the binding of the upcoming C2H4 gets lower(particularly for Al-and Zr-modified catalysts), and the transition state also becomes more stable. Generally, the insertion process of C2H4 gets easier after support Al-/Ti-/Zr-modifications. This dominant promotion effect is partially ascribed to the more enriched positive charge distribution on or nearby the V center, and the narrower energy gap between the LUMO of model catalysts and the HOMO of C2H4 for these modified catalysts also contributes much. In addition, the decreased steric hindrance around the V center should be taken into account for the modified models as well. Furthermore, the Br?nsted acidity of the catalysts is investigated by introducing a pendent hydroxyl group to the model catalysts, which has a close contact with the V center. Similar promotion effect of support modification by Al, Ti, and Zr could still be observed.展开更多
Solid-waste-based activated carbon(AC)was utilized as a carbon source to synthesize a series of carbon-based functional material RAC-X(X=P and S,where P and S denote phosphoric and sulfuric acids,respectively).The tol...Solid-waste-based activated carbon(AC)was utilized as a carbon source to synthesize a series of carbon-based functional material RAC-X(X=P and S,where P and S denote phosphoric and sulfuric acids,respectively).The toluene adsorption capacities of the regeneration AC(RAC)samples can be significantly improved by adopting the heteroatomic modification strategy.RAC-P and RAC-S have the same specific surface area(1156 m^(2)/g)and similar porous structures.However,they have different toluene adsorption capacities,with 316.22 mg/g for RAC-P and 460.12 mg/g for RAC-S,which are 1.6 and 2.4 times greater than that for RAC.The X-ray photoelectron spectroscopy measurements showed that the increase in the amount ofπ–π^(2)chemical bond over the AC surface results in the improvement of the toluene adsorption performance.The density functional theory results showed that the S-containing functional groups loaded near the defect sites of RAC-S promote toluene adsorption.Moreover,reusability tests showed that RAC-S still retains 86%of its adsorption activity after four consecutive adsorption–desorption experiments.This indicates that the heteroatomic modification method affords excellent toluene adsorption performance and recycling practicability,which not only is beneficial for achieving the rational utilization of solid waste resources but also provides a practical method for the efficient elimination of volatile organic compounds.展开更多
基金supported by Research Fund for the Doctoral Program of Higher Education of China(20134420120009)Science and Technology Planning Project of Guangdong(2014A010105047)Science and Technology Planning Project of Guangzhou City(201707010367).
文摘Under the background of the current energy crisis and environmental pollution,the development of green and sustainable materials has become particularly urgent.As one of the most abundant natural polymers on earth,cellulose has attracted wide attention due to its green recycling,sustainable development,degradability,and low cost.Therefore,cellulose and its derivatives were used as the starting point for comprehensive analysis.First,the basic structural properties of cellulose were discussed,and then the extraction and utilization methods of cellulose were reviewed,including Sodium Hydroxide based solvent system,N,N-Dimethylacetamide/Lithium Chloride System,N-Methylmorpholine-N-Oxide(NMMO)system,ionic liquids(ILs)system,and deep eutectic solvent(DES)system.Then,the functional modification techniques of cellulose are introduced,including nano-modification,small molecule modification,and macromolecular modification.Finally,the potential applications of cellulose in the fields of reinforcement materials,self-healing materials,radioactive cooling,nanogenerators,and biomedicine were discussed.At the end of this paper,the challenges and future development direction of cellulose materials are prospectively analyzed,aiming at providing guidance and inspiration for the research and application in related fields.
基金supported by the Natural Science Foundation of Jiangxi Province(20232BAB205075,20224ACB205014).
文摘Fibrillization endows food proteins with anisotropic nanostructures,significantly enhancing their functional properties.The resultant food protein fibrils(FPFs)have garnered attention for their diverse applications across the food industry.However,the full potential of FPFs is hindered by inherent challenges,particularly their limited stability.This review critically examines the formation of FPFs in food processing,the new protein sources,and on the modification strategies of FPFs,thereby unlocking new avenues for FPF utilization in food processing.In particular,the strategies during and after fibrillization are highlighted.The first strategy is to modify the structure and function of protein fibrils by influencing fibrillization,such as through pretreatment,incubation conditions,nuclei induction,and ingredient interactions.The second strategy is to modify the mature FPFs by regulating their properties and interactions with other components.The review also discusses the potential applications and challenges of FPFs in food systems,such as food preservation,functional food design,and novel delivery carriers.
基金supported by Applied Basic Research Joint Fund Project of Yunnan Province,No.202301AY070001-200Middle-aged Academic and Technical Training Project for High-Level Talents,No.202105AC160065+1 种基金Yunnan Clinical Medical Center for Neurological and Cardiovascular Diseases,No.YWLCYXZX2023300077Key Clinical Specialty of Neurology in Yunnan Province,No.300064(all to CL)。
文摘Research into lactylation modifications across various target organs in both health and disease has gained significant attention.Many essential life processes and the onset of diseases are not only related to protein abundance but are also primarily regulated by various post-translational protein modifications.Lactate,once considered merely a byproduct of anaerobic metabolism,has emerged as a crucial energy substrate and signaling molecule involved in both physiological and pathological processes within the nervous system.Furthermore,recent studies have emphasized the significant role of lactate in numerous neurological diseases,including Alzheimer's disease,Parkinson's disease,acute cerebral ischemic stroke,multiple sclerosis,Huntington's disease,and myasthenia gravis.The purpose of this review is to synthesize the current research on lactate and lactylation modifications in neurological diseases,aiming to clarify their mechanisms of action and identify potential therapeutic targets.As such,this work provides an overview of the metabolic regulatory roles of lactate in various disorders,emphasizing its involvement in the regulation of brain function.Additionally,the specific mechanisms of brain lactate metabolism are discussed,suggesting the unique roles of lactate in modulating brain function.As a critical aspect of lactate function,lactylation modifications,including both histone and non-histone lactylation,are explored,with an emphasis on recent advancements in identifying the key regulatory enzymes of such modifications,such as lactylation writers and erasers.The effects and specific mechanisms of abnormal lactate metabolism in diverse neurological diseases are summarized,revealing that lactate acts as a signaling molecule in the regulation of brain functions and that abnormal lactate metabolism is implicated in the progression of various neurological disorders.Future research should focus on further elucidating the molecular mechanisms underlying lactate and lactylation modifications and exploring their potential as therapeutic targets for neurological diseases.
基金the Natural Science Basic Research Program of Shaanxi(Grant No.2024JC-ZDXM-01)supported by the Youth Innovation Team of Shaanxi Universities(Title:Service Performance Evaluation of Energetic Materials)。
文摘The ReaxFF can describe the properties of energetic materials(EMs)at equilibrium state,but does not work properly in simulating high-energy particle irradiation process because of its weak short-range interaction.In this paper,a modification was made for such a potential by connecting ZieglerBiersack-Littmark(ZBL)potential to ReaxFF-lg through comparing to Density Functional Theory(DFT)results to accurately describe short-range interactions.After modification,the newly fitted ReaxFF-lg/ZBL potential predicts better the equation of state for EMs In displacement cascade simulations,comparing to results from ab initio molecular dynamics(AIMD),ReaxFF-lg/ZBL presented the similar transferred energy from a primary knock-on atom to surrounding atoms,better than the original ReaxFF-lg potential.Further large-scale displacement cascade simulations indicated ReaxFF-lg/ZBL could be applied for cascade simulations with PKA energy from less than 1 keV to high energy(e.g.35 keV)cases,which is suitable for effectively simulating high-energy displacement cascades in EMs using molecular dynamics method.
基金supported by the National Natural Science Foundation of China (Nos. 21371069 and 21621001)
文摘Metal-organic frameworks（MOFs） are a unique class of porous crystalline materials that have shown promise for a wide range of applications. MOFs have been explored as a new type of heterogeneous catalytic materials, because of their high surface area, uniform and tunable pores, facile functionalization and incorporation of catalytic active sites. The use of multi-functional sites MOF materials as catalysts for synergistic catalysis and tandem reactions has attracted increasing attention. In this review, we aim to introduce the construction of bi-or multi-functional MOF catalysts with cooperative or cascade functions via post-synthetic modification（PSM）.
基金the support from the National Key R&D Program of China(No. 2017YFA0505400)the National Natural Science Foundation of China (Nos. 21572214, 21702200)
文摘Late-stage modification of peptides and proteins meets the increasing demand in biochemical and pharmaceutical communities. These modification strategies could provide functionalized nonproteinogenic analogues with enhanced biological activities or improved therapeutic capabilities compared to their natural counterparts. Recent years, transition-metal-promoted functionalization of ubiquitous C-H bonds has been emerged as a powerful and tunable tool in this area, both for backbone diversifications and labeling of specific moieties. These reactions were flexible and expedient in both academic and industrial laboratories, especially considering their atom and step-economy, good functional group compatibility, accurate site selectivity. This review surveys the progress achieved in the late-stage modification of peptides and proteins utilizing transition-metal-catalyzed C-H functionalization with C-C and C-X(F, Cl, O, N, B, etc.) bonds formation.
基金financially supported by the National Key R&D Program of China(No.2021YFA1501700)the Science and Technology Development Plan of Jilin Province(Nos.20230101042JC and 20210201059GX)+1 种基金the National Natural Science Foundation of China,Basic Science Center Program(No.51988102)the National Natural Science Foundation of China(Nos.52203017 and 52073272)。
文摘Chemical modification of polymers represents a pivotal method for achieving functionalized polymer materials.However,due to the lack of post-functional handle,the chemical modification of polyester materials remains a significant challenge.Ring-opening copolymerization of cyclic anhydride and epoxides is a powerful approach to synthesize polyesters.In this work,we for the first time demonstrate the functionalizability of polyesters synthesized with brominated anhydride monomers.The post-functionalization is amenable to a wide variety of reactive groups and reactions with high yields.With multiple well-established functionalization pathways of brominated polyester materials and optimized the conditions for the modification reactions,a series of functionalized polyester materials can be obtained with high yields,providing new insights for the research about functionalization of polymers.
基金Supported by the Key Basic Research Project of Applied Basic Research Plan in Heibei Province(17967502D)
文摘Studies have shown that modified dietary fiber has better physical and chemical properties and functions,and can better play its physiological effects.This paper systematically and comprehensively expounded the application progress of chemical separation method,microbial fermentation method,physical method,enzyme method and steam explosion method in dietary fiber modification,and expounded the development prospect of modified dietary fiber,so as to provide reference for further study on development and application of dietary fiber.
文摘A technique of shape modification and deformation for parametric curvesthrough cosine extension function (CEF) is presented. First, a special extension function isdefined, based on which a shape operator matrix is constructed. Then combining such matrix with thecenter of extension and principal directions, two kinds of deformation matrices are defined.Finally, curve deformation is achieved through multiplying its position vector in a local coordinatesystem by deformation matrix or adding the multiplication of a vector field and quasi-deformationmatrix to its position vector in the original coordinate system. Since CEF contains several variableparameters, each of which generates a different effect of shape modification such as controllingthe degree of continuity of the modified part of curve with the unchanged part, ideal deformationeffects can be got fairly and easily. Examples of theoretical analysis show that the method ispotentially useful for geometric modeling, computer graphics and so on.
基金financial support from the National Natural Science Foundation of China (52272261 and 52104300)。
文摘To tackle energy crisis and achieve sustainable development, aqueous rechargeable zinc ion batteries have gained widespread attention in large-scale energy storage for their low cost, high safety, high theoretical capacity, and environmental compatibility in recent years. However, zinc anode in aqueous zinc ion batteries is still facing several challenges such as dendrite growth and side reactions(e.g., hydrogen evolution), which cause poor reversibility and the failure of batteries. To address these issues, interfacial modification of Zn anodes has received great attention by tuning the interaction between the anode and the electrolyte. Herein, we present recent advances in the interfacial modification of zinc anode in this review. Besides, the challenges of reported approaches of interfacial modification are also discussed.Finally, we provide an outlook for the exploration of novel zinc anode for aqueous zinc ion batteries.We hope that this review will be helpful in designing and fabricating dendrite-free and hydrogenevolution-free Zn anodes and promoting the practical application of aqueous rechargeable zinc ion batteries.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51125001 and 51172005)the Natural Science Foundation of Beijing,China(Grant No.2122022)+1 种基金the Science Fund for Creative Research Groups of the National Natural Science Foundation of China(Grant No.81421004)the Doctoral Program of the Education Ministry of China(Grant No.20120001110078)
文摘Progress in surface modification of magnetic nanoparticles（MNPs） is summarized with regard to organic molecules,macromolecules and inorganic materials. Many researchers are now devoted to synthesizing new types of multi-functional MNPs, which show great application potential in both diagnosis and treatment of disease. By employing an ever-greater variety of surface modification techniques, MNPs can satisfy more and more of the demands of medical practice in areas like magnetic resonance imaging（MRI）, fluorescent marking, cell targeting, and drug delivery.
基金Sponsored by the National Natural Science Foundation of China(Grant No.2009AA04Z404)
文摘Based on Newton ' s second law,the bend-torsion-shaft coupling nonlinear dynamic model and equations of power split gear transmission system are established.According to the principle of tooth profile modification,the tooth profile modification is considered as time-varying gear backlash function acting along the line of action.Then the dynamic functions are solved by using Runge-Kutta numerical method.After analyzing the effect of tooth profile modification quantity( TPMQ) and relative tooth profile modification length( TPML) to the nonlinear dynamic characteristics of power split gear transmission,the following conclusions are drawn:1 The TPMQ of a certain stage transmission affects the vibration of its own stage more significantly than the other stage,and the coupling effect between two stages can be ignored usually in the modification design;2 If the first stage TPMLs are less than 0.3,the influence of the first stage TPMLs to the first stage transmission vibration is much more greatly than the influence of the second stage TPMLs to the first stage transmission vibration,or else both the first and second stage TPMLs affect the first stage transmission vibration largely.The same is true for the second stage TPMLs,and the cutoff value is 0.2;3 The TPMQ affects the vibration of power split gear transmission system more principally than the TPML,and should be top-priority in the modification design.
基金This work was supported by the National Natural Science Foundation of China,No.81801210(to SZ).
文摘Deficits in intrinsic neuronal capacities in the spinal cord,a lack of growth support,and suppression of axonal outgrowth by inhibitory molecules mean that spinal cord injury almost always has devastating consequences.As such,one of the primary targets for the treatment of spinal cord injury is to develop strategies to antagonize extrinsic or intrinsic axonal growth-inhibitory factors or enhance the factors that support axonal growth.Among these factors,a series of individual protein level disorders have been identified during the generation of axons following spinal cord injury.Moreover,an increasing number of studies have indicated that post-translational modifications of these proteins have important implications for axonal growth.Some researchers have discovered a variety of post-translational modifications after spinal cord injury,such as tyrosination,acetylation,and phosphorylation.In this review,we reviewed the post-translational modifications for axonal growth,functional recovery,and neuropathic pain after spinal cord injury,a better understanding of which may elucidate the dynamic change of spinal cord injury-related molecules and facilitate the development of a new therapeutic strategy for spinal cord injury.
文摘Acha grain (Digitariaexilis) starch was isolated and subjected to chemical modifications by acetylation, benzylation, succinylation, carboxymethylation and acid-thining. Functional properties (swelling, solubility, gelation, oil and water absorption capacities, alkaline water retention) and rheological properties of the native and modified starches were determined. Swelling power and solubility of the starch samples increased with increase in temperature. Swelling power and solubility were pH dependent, with maximum values obtained at pH 12 in both native and modified starches. Increasing degree of alkalinity increased both solubility and swelling capacity. Water absorption capacities of chemically modified starches decreased, but acetylated starch, ATAS showed higher value compared to the native and also chemically modified starches improved oil absorption capacity of the native starch. The modified starches showed increase in alkaline water retention. Gelation studies revealed that ACAS had higher LGC than the native while some chemically modified starches did not alter the gelation capacity of the native starch except for BAS and ACAS with LGC of 10% and 16% v/w. There were significant differences in functional properties between native and chemically modified starches from acha, so chemical modification improved functional properties. Chemical modifications increased pasting temperature except for ATAS and BAS. Set-back values were reduced after modifications, indicating that modification would minimize starch retrogradation.
基金supported by National Natural Science Foundation of China(Grant No.40171001)National Science and Technology Support Program(Grant No.2006BAB15B02-04)+1 种基金Key Fundamental Item of Hebei Province(Grant No.08966712D)Key Discipline Construction Item of Physical Geography of Hebei Province
文摘In the past,evaluations of ecosystem functions were mostly based on Costanza's model,whereas the spatial,quality and temporal characteristics of regional ecosystems were not considered in the model.Focusing on these issues,coefficients of regional difference,spatial heterogeneity and willingness-to-pay(WTP)were established to modify Costanza's model,and a new comprehensive valuation model of ecosystem functions is proposed.The analytical results indicate that the comprehensive model could evaluate regional ecosystem functions in China accurately and provide more helpful information for decision-making.The empirical study on Zhangbei County in Hebei Province shows that the intensive human activities could limit the provision of ecosystem functions while the planned ecological programs might promote the restoration of ecosystem functions.
文摘The surface modification of the tourmaline powder with triethoxyvinylsilane was studied to prepare the polymerizable organic tourmaline.The experimental results showed that the surface of modified tourmaline had the better hydrophobicity compared with unmodified tourmaline,when the mass ratio of triethoxyvinylsilane to tourmaline powder was 1∶5,and reacted at 60 ℃for 1.5hin the mixed-solvent of ethanol and distilled water(1∶5in volume ratio).The structure characterization results indicated that the vinylsiloxane was introduced into the surface of tourmaline powder to generate the polymerizable organic tourmaline,and the crystal structure of tourmaline had no change.
文摘An efficient finite element model of involute helical gear is presented. A program based on compliance matrix method is developed for the calculation of instantaneous meshing stiffness, and the relationship between the rate of meshing stiffness and overlap ratio is given. On the basis of stiffness calculation, an optimization program for the optimal design of profile modification is developed according to the principle of internal point punishment function method.
基金financial support of this work by Natural Science Foundation of China(22075031,51673030,51603017 and 51803011)Jilin Provincial Science&Technology Department(20220201105GX)Chang Bai Mountain Scholars Program of Jilin Province.
文摘For the reduction of bovine serum proteins from wastewater,a novel mixed matrix membrane was prepared by functionalizing the substrate material polyaryletherketone(PAEK),followed by carboxyl groups(C-SPAEKS),and then adding amino-functionalized UiO-66-NH_(2)(Am-UiO-66-NH_(2)).Aminofunctionalization of UiO-66 was accomplished by melamine,followed by an amidation reaction to immobilize Am-UiO-66-NH_(2),which was immobilized on the surface of the membrane as well as in the pore channels,which enhanced the hydrophilicity of the membrane surface while increasing the negative potential of the membrane surface.This nanoparticle-loaded ultrafiltration membrane has good permeation performance,with a pure water flux of up to 482.3 L·m^(-2)·h^(-1) for C-SPAEKS/AmUiO-66-NH_(2) and a retention rate of up to 98.7%for bovine serum albumin(BSA)-contaminated solutions.Meanwhile,after several hydrophilic modifications,the flux recovery of BSA contaminants by this series of membranes increased from 56.2%to 80.55%of pure membranes.The results of ultra-filtration flux time tests performed at room temperature showed that the series of ultrafiltration membranes remained relatively stable over a test time of 300 min.Thus,the newly developed mixed matrix membrane showed potential for high efficiency and stability in wastewater treatment containing bovine serum proteins.
基金financially supported by the National Natural Science Foundation of China (No. 21801079)
文摘Recently, we reported the first VOx/SiO2 ethylene polymerization catalyst for making Cl-free UHMWPE, and found the dominant promotion effects of Al-/Ti-/Zr-modifications over this catalyst system(Macromol. Chem. Phys. 2017, 218, 1600443). In this work, density functional theory is applied to investigate the underlying mechanism of this remarkable promotion effect of Al-/Ti-/Zrmodifications on a molecular and atomic level. The cluster model with V(Ⅲ) is found to be the most possible active site due to its lowest overall energy barrier for monomer insertion, though the process of C2H4 coordination and the subsequent formation of transition state are most energy favored for V(Ⅱ) species. By modifying one of or both V―O―Si in the active model with V―O―M(M = Al, Ti, or Zr),the energy barrier for the binding of the upcoming C2H4 gets lower(particularly for Al-and Zr-modified catalysts), and the transition state also becomes more stable. Generally, the insertion process of C2H4 gets easier after support Al-/Ti-/Zr-modifications. This dominant promotion effect is partially ascribed to the more enriched positive charge distribution on or nearby the V center, and the narrower energy gap between the LUMO of model catalysts and the HOMO of C2H4 for these modified catalysts also contributes much. In addition, the decreased steric hindrance around the V center should be taken into account for the modified models as well. Furthermore, the Br?nsted acidity of the catalysts is investigated by introducing a pendent hydroxyl group to the model catalysts, which has a close contact with the V center. Similar promotion effect of support modification by Al, Ti, and Zr could still be observed.
基金National key R&D Program of China(No.2022YFC3701903)natural science foundation of Shanxi Province(No.202203021211178)National Natural Science Foundation of China(51901209)for financial support.
文摘Solid-waste-based activated carbon(AC)was utilized as a carbon source to synthesize a series of carbon-based functional material RAC-X(X=P and S,where P and S denote phosphoric and sulfuric acids,respectively).The toluene adsorption capacities of the regeneration AC(RAC)samples can be significantly improved by adopting the heteroatomic modification strategy.RAC-P and RAC-S have the same specific surface area(1156 m^(2)/g)and similar porous structures.However,they have different toluene adsorption capacities,with 316.22 mg/g for RAC-P and 460.12 mg/g for RAC-S,which are 1.6 and 2.4 times greater than that for RAC.The X-ray photoelectron spectroscopy measurements showed that the increase in the amount ofπ–π^(2)chemical bond over the AC surface results in the improvement of the toluene adsorption performance.The density functional theory results showed that the S-containing functional groups loaded near the defect sites of RAC-S promote toluene adsorption.Moreover,reusability tests showed that RAC-S still retains 86%of its adsorption activity after four consecutive adsorption–desorption experiments.This indicates that the heteroatomic modification method affords excellent toluene adsorption performance and recycling practicability,which not only is beneficial for achieving the rational utilization of solid waste resources but also provides a practical method for the efficient elimination of volatile organic compounds.
