This study demonstrates the feasibility of producing three polysaccharides(neutral LJP-1,acidic LJP-2 and acidic LJP-3)with significant in vitro and in vivo anti-inflammatory activities from the flowers of Lonicera ja...This study demonstrates the feasibility of producing three polysaccharides(neutral LJP-1,acidic LJP-2 and acidic LJP-3)with significant in vitro and in vivo anti-inflammatory activities from the flowers of Lonicera japonica.The three polysaccharides differed in chemical composition,molecular weight(Mw)distribution,glycosidic linkage pattern,functional groups and morphology.They exhibited excellent protective effects(in a dose-dependent manner)in lipopolysaccharide-injured RAW264.7 macrophages and Cu SO4-damaged zebrafish via reducing NO production and inhibiting the overexpressions of inflammation-related transcription factors,inflammatory proteins and cytokines in the NF-κB/MAPK signaling pathways.Their antiinflammatory effects varied owing to their different molecular characteristics and chemical compositions.Overall,LJP-2 at 400μg/m L was the most effective.LJP-2 consisted mainly of→5)-α-L-Araf(1→,→4)-α-LGalp A(1→and→2)-α-L-Rhap(1→residues with terminal T-β-D-Glcp.Thus,honeysuckle flowers are good sources of anti-inflammatory polysaccharides,and precise fractionation enables the production of potent antiinflammatory agents for the development of functional foods and healthcare products.展开更多
Cathelicidin Pc-CATH1 is a cathelicidin-derived myeloid antimicrobial peptide identified from Phasianus colchicus with strong antimicrobial activity against most of bacteria and fungi tested,including the clinically i...Cathelicidin Pc-CATH1 is a cathelicidin-derived myeloid antimicrobial peptide identified from Phasianus colchicus with strong antimicrobial activity against most of bacteria and fungi tested,including the clinically isolated(IS)drug-resistant strains.Considering the uniform distribution of net positive charge in both C-and N-terminus sequence of cathelicidin Pc-CATH1 and most of hydrophobic amino acid(aa)residues positioned in middle of the sequence,the antimicrobial peptide was used to investigate the structure-function relationship by truncating gradually N-or C-terminus amino acid residue.More than 10 modified peptide homo-logues(20-26 aa length)of cathelicidin Pc-CATH1 were found to keep strong antimicrobial abilities.The possible relationships between bioactivities including antimicrobial and hemolytic abilities,components of secondary structure,hydrophobicity,amphipathicity,net charge,and sequence length were investigated.The current work provided suggestions for structural and functional modification of linear,α-helical antimicrobial peptides containing no disulfided bridges.展开更多
Hypoxanthine-guanine phosphoribosyltransferase ( HGPRT, EC 2.4.2.8) is a key enzyme of the purine salvage pathway, which allows recycling of purine bases into DNA and RNA. It is widely distributed in nature and has ...Hypoxanthine-guanine phosphoribosyltransferase ( HGPRT, EC 2.4.2.8) is a key enzyme of the purine salvage pathway, which allows recycling of purine bases into DNA and RNA. It is widely distributed in nature and has been studied both in prokaryotes and eukaryotes. In humans, a complete lack of HGPRT activity causes the Lesch-Nyhan syndrome, which is characterized by hyperuricaemia and neural disorders,展开更多
Magnesium-based materials not only exhibit desirable characteristics such as low density and high specific strength, but also possess exceptional functional properties, including high damping capacity, high thermal co...Magnesium-based materials not only exhibit desirable characteristics such as low density and high specific strength, but also possess exceptional functional properties, including high damping capacity, high thermal conductivity, high electromagnetic interference shielding capacity, flame retardancy, and dissolvability. However, achieving a balance between strength and functional properties remains a significant challenge in Mg alloys community. Typically, strength depends on the pinning effect of defects, such as solute atoms and second phases,which hinder dislocation motion. On the other hand, optimal functional properties usually necessitate relative perfect crystal structures, as the presence of solute atoms and second phases can have adverse effects on damping capacity and thermal conductivity. Balancing these conflicting requirements is difficult. The trade-off between strength and functional properties of the Mg alloys should be broken to meet the urgent need in aerospace, automotive, 3C(computers, communications, and consumer electronics) and energy industries for high performance structural-functional integrated Mg-based materials. This review summarizes recent progress in understanding the mechanisms and influencing factors for the functional properties of Mg alloys. The mechanisms underlying the trade-off between strength and functional properties of Mg alloys is discussed. The latest developed structural-functional integrated Mg alloys and their composites are summarized, including high strength Mg-based materials with high damping capacity/high thermal conductivity/strong electromagnetic shielding capability/excellent flame-resistance/high dissolution rate. The future works of developing structure-function integrated Mg-based materials are proposed.展开更多
Recently,I attended a conference organised by the European Food Safety Authority in the beautiful and prosperous Italian city of Parma.The overall topic of the conference was risk assessment,and the program included a...Recently,I attended a conference organised by the European Food Safety Authority in the beautiful and prosperous Italian city of Parma.The overall topic of the conference was risk assessment,and the program included a section on aspects of environmental risk assessment.In various areas,including the evalution of the effects of pesticide applications,invasive organisms or genetically modified plants(Arpaia et al.,2014)preparing an environmental risk assessment is an obviously relevant exercise.展开更多
The pervasive accumulation of plastic waste exacerbates environmental degradation and undermines resource circularity.Selective thermal catalysis emerges as a transformative pathway for valorizing waste plastics into ...The pervasive accumulation of plastic waste exacerbates environmental degradation and undermines resource circularity.Selective thermal catalysis emerges as a transformative pathway for valorizing waste plastics into value-added chemicals,yet persistent challenges in catalytic activity and product selectivity demand systematic resolution.This review decodes cutting-edge advances in thermal depolymerization by converging two critical dimensions:atomic-scale active site engineering-where rational design of coordination features and interfacial architectures regulates C-C cleavage energetics and intermediate adsorption-and macromolecular-scale manipulation of polymer transient states-leveraging nanoconfinement effects,chain folding dynamics,and thermal fragmentation to accelerate conversion kinetics.We further highlight breakthroughs in operando char-acterization techniques that resolve time-evolving reaction coordinates across catalytic systems.By establishing multiscale structure-activity relationships linking catalyst configurations to polymer dynamics,this analysis derives design paradigms for next-generation upcycling systems.These principles enable economically viable,industrially scalable plastic valorization while charting a strategic trajectory toward carbon-circular economies.展开更多
Magnesium alloys have a significant advantage,lower density over the other structure materials;hence,they have been widely used in various fields such as transportation and aerospace.With the development of research a...Magnesium alloys have a significant advantage,lower density over the other structure materials;hence,they have been widely used in various fields such as transportation and aerospace.With the development of research and the enlargement of the research scope,more advantages have been revealed:excellent shielding efficiency,extraordinarily high damping capacity,as well as impressive thermal conductivity.Therefore,Mg alloys have the potential to be various functional materials,such as electromagnetic shielding material,damping material,and thermal conductive material.This review comprehensively summarizes the research progress and the up-to-date summary of Mg alloys as structure–function integrated materials in recent years.Solute atoms,heat treatment,deformation,secondary phase,and temperature,which have a significant influence on the properties of magnesium alloys,are highlighted.We expect this review to be helpful for those who are working on developing structure–function integrated materials with superior comprehensive performance.展开更多
The two major challenges in industrial enzymatic catalysis are the limited number of chemical reaction types that are catalyzed by enzymes and the instability of enzymes under harsh conditions in industrial catalysis....The two major challenges in industrial enzymatic catalysis are the limited number of chemical reaction types that are catalyzed by enzymes and the instability of enzymes under harsh conditions in industrial catalysis.Expanding enzyme catalysis to a larger substrate scope and greater variety of chemical reactions and tuning the microenvironment surrounding enzyme molecules to achieve high enzyme performance are urgently needed.In this account,we focus on our efforts using the de novo approach to synthesis hybrid enzyme catalysts that can address these two challenges and the structure-function relationship is discussed to reveal the principles of designing hybrid enzyme catalysts.We hope that this account will promote further efforts toward fundamental research and wide applications of designed enzyme hybrid catalysts for expanding biocatalysis.展开更多
Electrocatalysis offers a promising approach towards chemical synthesis driven by renewable energy.Molecular level understanding of the electrochemical interface remains challenging due to its compositional and struct...Electrocatalysis offers a promising approach towards chemical synthesis driven by renewable energy.Molecular level understanding of the electrochemical interface remains challenging due to its compositional and structural complexity.In situ interfacial specific characterization techniques could help uncover structure-function relationships and reaction mechanism.To this end,electrochemical surface-enhanced Raman spectroscopy(SERS)and surface-enhanced infrared absorption spectroscopy(SEIRAS)thrive as powerful techniques to provide fingerprint information of interfacial species at reaction conditions.In this review,we first introduce the fundamentals of SERS and SEIRAS,followed by discussion regarding the technical challenges and potential solutions.Finally,we highlight future directions for further development of surface-enhanced spectroscopic techniques for electrocatalytic studies.展开更多
The development of efficient and quick method to prepare structure-function integrative C/SiC composites is always a major challenge in this feld.Herein,the thermal conductivity and bending strength of C/SiC composite...The development of efficient and quick method to prepare structure-function integrative C/SiC composites is always a major challenge in this feld.Herein,the thermal conductivity and bending strength of C/SiC composites were enhanced simultaneously via continuous high heat conductive channels constructed by continuous wave laser machining and pitch-based high thermal conductivity carbon fber in thickness direction.Results revealed that the thermal conductivity of the modifed C/SiC composites is three times higher than that of referential C/SiC composites due to its highly ordered heat conducive channel in the thickness direction.Importantly,the bending strength of modifed C/SiC composites increased to 457MPa.To better understand the enhance mechanism,the micro-structure for both the composites and heat conductive channel was systematically analyzed.The results demonstrated that the rivet effect of heat conductive channel and the formed two phases structure on the fbers dispersed partial of load and fnally enhanced the property of the composites.In a word,this method holds a nice applicable future in constructing structure-function integrative C/SiC composites.展开更多
[Objective] To study virtual plant modeling based on mutual feedback of function-structure.[Method] With the analysis of the shortcomings of current virtual plant modeling method,the modeling with the idea of function...[Objective] To study virtual plant modeling based on mutual feedback of function-structure.[Method] With the analysis of the shortcomings of current virtual plant modeling method,the modeling with the idea of function-structure mutual feedback was put forward,and the steps of this modeling were elaborated,including the determination of morphological structure model,biomass production model,biomass allocation model,organ reconstruction model,and the integration method of function model and morphological structure model.[Results] The breakthrough of function-structure mutual feedback based mechanism from the boundaries of physiological ecology model and morphological structure model can solve the difficulty of data transmission between the two models and build an integrated model from the two,which can effectively reflect the incidence relation between plant morphology and function,and more suitable for the growth mechanisms of plants.This modeling approach has significant advantages in the dynamic simulation of plant growth.[Conclusion] The virtual plant modeling based on function-structure mutual feedback provides basis for the simulation of plant growth status in the next stage,and has important significance for the accurate simulation of the dynamic growth process of plant.展开更多
Background: Evolutionary biology endeavours to explain biological diversity,and as such it is critical to develop an understanding of the adaptive and functional significance of trait variation.Spermatozoa exhibit rem...Background: Evolutionary biology endeavours to explain biological diversity,and as such it is critical to develop an understanding of the adaptive and functional significance of trait variation.Spermatozoa exhibit remarkable levels of morphological diversification.However,our understanding of the evolutionary causes and functional significance of this variation is limited,especially at the intraspecific level.Methods: We quantified variation in sperm morphology and performance between two subspecies of Long-tailed Finch(Poephila acuticauda acuticauda and P.a.hecki),a small grassfinch found in tropical northern Australia.Despite a zone of secondary contact,these subspecies are maintained as two distinct forms: P.a.acuticauda occurs in the western part of the species' range and has a yellow bill,while P.a.hecki exhibits a red bill and is found in the eastern part of the range.Results: We found small,but significant differences in sperm size between these subspecies(P.a.acuticauda had longer and narrower sperm than P.a.hecki),which was surprising given the recent evolutionary origins of these two taxa(i.e.0.3 million years ago).Additionally,both subspecies exhibited high values of between- and within-male variation in sperm morphology,though in the case of sperm midpiece length this variation was significantly lower in P.a.acuticauda relative to P.a.hecki.Conclusions: We suggest these observed differences in sperm morphology are the result of genetic drift and reflect historical processes associated with divergence between the eastern and western populations of these two subspecies.Finally,we discuss the potential implications of our findings for the process of population divergence and reproductive isolation.展开更多
Cancer enzymology is a promising filiation of bio-medical sciences. In thepast decades, enzymes, such as GST(glutathione S-transferase) , PKC(protein kinase C) , Topo(DNAtopoisomerases), TK(tyrosine kinase), CD (bacte...Cancer enzymology is a promising filiation of bio-medical sciences. In thepast decades, enzymes, such as GST(glutathione S-transferase) , PKC(protein kinase C) , Topo(DNAtopoisomerases), TK(tyrosine kinase), CD (bacterial cytosine deaminase), CPG2(carboxypeptidase G2) ,and PNP (purine nucleoside phosphorylase), have been known to bear close relations to cancer. Theirspecific expression and influence on the process of tumor initiation, promotion and progressionattract scientists to apply them as a biochemical marker of certain malignant tumor, a predictor ofresponse in cancer chemotherapy; to apply them to drug design, tumor prevention and as adjuvant toradiotherapy or surgery.展开更多
Hydroxyl-terminated polybutadieneoluene diisocyanate(HTPB/TDI)system is widely used in composite solid propellants.The migrations of plasticizers and water molecules from solid propellants and surrounding environment ...Hydroxyl-terminated polybutadieneoluene diisocyanate(HTPB/TDI)system is widely used in composite solid propellants.The migrations of plasticizers and water molecules from solid propellants and surrounding environment to the inhibitor have always been the important issues.This study focuses on the preparation,characterization and anti-migration behavior of graphene oxide(GO)/HTPB nanocomposite liner.The GO/HTPB(GH)composite liners affect the migration of small molecules through a tighter cross-linked structure and weakening function of small molecule adsorption.The anti-migration performance of the liner at different temperatures was analyzed,and the influence of the added amount of GO on the anti-migration performance and adhesion performance was also systematically studied.The overall performance of the liner is optimized when the amount of GO filler is 0.3 wt%.After adding 0.3 wt%GO,the concentration of dioctyl sebacate(DOS)migrated into the liner is decreased by 23.28%,and the concentration of water molecules is decreased by 51.89%,indicating that the introduction of GO can significantly improve the anti-migration performance of the liner.In addition,the bond strength is greatly increased from 0.25 MPa to 0.95 MPa,which meets the application requirements of the current propellant system.This research provides an important way for the preparation of structure-function synergistic anti-migration composite liners.展开更多
Iron‐based pyrophosphates are attractive cathodes for sodium‐ion batteries due to their large framework,cost‐effectiveness,and high energy density.However,the understanding of the crystal structure is scarce and on...Iron‐based pyrophosphates are attractive cathodes for sodium‐ion batteries due to their large framework,cost‐effectiveness,and high energy density.However,the understanding of the crystal structure is scarce and only a limited candidates have been reported so far.In this work,we found for the first time that a continuous solid solution,Na4−αFe2+α2(P2O7)2(0≤α≤1,could be obtained by mutual substitution of cations at center‐symmetric Na3 and Na4 sites while keeping the crystal building blocks of anionic P2O7 unchanged.In particular,a novel off‐stoichiometric Na3Fe(2.5)(P2O7)2is thus proposed,and its structure,energy storage mechanism,and electrochemical performance are extensively investigated to unveil the structure–function relationship.The as‐prepared off‐stoichiometric electrode delivers appealing performance with a reversible discharge capacity of 83 mAh g−1,a working voltage of 2.9 V(vs.Na+/Na),the retention of 89.2%of the initial capacity after 500 cycles,and enhanced rate capability of 51 mAh g−1at a current density of 1600 mA g−1.This research shows that sodium ferric pyrophosphate could form extended solid solution composition and promising phase is concealed in the range of Na4−αFe2+α2(P2O7)2,offering more chances for exploration of new cathode materials for the construction of high‐performance SIBs.展开更多
The complex relationship between structural connectivity(SC) and functional connectivity(FC) of human brain networks is still a critical problem in neuroscience. In order to investigate the role of SC in shaping resti...The complex relationship between structural connectivity(SC) and functional connectivity(FC) of human brain networks is still a critical problem in neuroscience. In order to investigate the role of SC in shaping resting-state FC, numerous models have been proposed. Here, we use a simple dynamic model based on the susceptible-infected-susceptible(SIS) model along the shortest paths to predict FC from SC. Unlike the previous dynamic model based on SIS theory, we focus on the shortest paths as the principal routes to transmit signals rather than the empirical structural brain network. We first simplify the structurally connected network into an efficient propagation network according to the shortest paths and then combine SIS infection theory with the efficient network to simulate the dynamic process of human brain activity. Finally, we perform an extensive comparison study between the dynamic models embedded in the efficient network, the dynamic model embedded in the structurally connected network and dynamic mean field(DMF) model predicting FC from SC. Extensive experiments on two different resolution datasets indicate that i) the dynamic model simulated on the shortest paths can predict FC among both structurally connected and unconnected node pairs; ii) though there are fewer links in the efficient propagation network, the predictive power of FC derived from the efficient propagation network is better than the dynamic model simulated on a structural brain network; iii) in comparison with the DMF model,the dynamic model embedded in the shortest paths is found to perform better to predict FC.展开更多
Dual-state emission(DSE)molecules displayed conspicuous fluorescent performance both in solid and solution states.However,the construction of DSE molecules and the regulation of their emission wavelengths remains a gr...Dual-state emission(DSE)molecules displayed conspicuous fluorescent performance both in solid and solution states.However,the construction of DSE molecules and the regulation of their emission wavelengths remains a great challenge.Based on the structure-function relationship of quinolinonitrile-type fluorophores,this work proposed a feasible strategy for modulating their fluorescent properties into DSE via limiting the torsion angle between the quinoline ring and C=C bond in the range of 4.7°to 30°.Based on this strategy,53 compounds were obtained which displayed tunable emission wavelengths from397 nm to 740 nm in solid-state and from 360 nm to 672 nm in solution.The feasibility of the strategy was supported by a series of theoretical calculations,optical characterizations,and crystal analysis,suggesting the compounds have great potential in imaging living cells and tissues with desired wavelengths.展开更多
HORMA domain-containing proteins play important roles in cell cycle regulation and DNA repair, acting as adaptors to recruit other proteins. Although containing the conserved HORMA domain in structure, different types...HORMA domain-containing proteins play important roles in cell cycle regulation and DNA repair, acting as adaptors to recruit other proteins. Although containing the conserved HORMA domain in structure, different types of HORMA proteins have diverged significantly in function. The mechanisms underlying the evolution and functional diversification of HORMA proteins remain unclear. Here we conduct an integrative approach, combining sequence, structural, gene coexpression and protein-protein interaction data, to trace the structural and functional evolution of HORMA proteins. Comparative sequence and structure analysis revealed that variations in both amino acid sequence and domain composition contributed to the functional diversification of different HORMA domain- containing proteins. Multiple amino acid substitutions at the C-terminal region promoted the functional divergence between MAD2 and REV7 by facilitating interaction with different partners. The emergence of the HOPlCTD domain contributed to the function of HOP1 as a meiosis-specific structural component of the lateral elements of the synaptonemal complex. Additionally, different types of HORMA proteins were recruited into different functional modules in the genetic network while functioning distinctly.展开更多
Objective: To explore the correlation between structure domains and functions of chemokine receptor CXCR4. Methods: After the establishment of wild type chemokine.receptor CXCR4 and CXCR2 expressing cell lines, 5 CXCR...Objective: To explore the correlation between structure domains and functions of chemokine receptor CXCR4. Methods: After the establishment of wild type chemokine.receptor CXCR4 and CXCR2 expressing cell lines, 5 CXCR4/CXCR2 chimeras, 2 CXCR4 mutants were stably expressed on CHO cell line. Binding activities of all variants with the ligand, recombinant human SDF-1β, signal transduction ability after stimulation and their function as coreceptor for HIV-1 were studied with ligand-binding assay, Cytosensor/ microphysiometry and cell-cell reporter gene fusion assay. Results: Among all 7 changed CXCR4 receptors, 3 chimeras (2444a, 4442, 4122), and 1 mutant (CXCR4-Tr) bond with SDF-1β in varying degrees, of which only 2444a totally and CXCR4-Tr partially maintain signaling. All changed receptors except for 4222 could act as coreceptors for HIV-1 (LAI) in varying degrees. Conclusion: Several structure domains of CXCR4 are involved in the binding with SDF-1β, among which, N-terminal extracellular domain has high affinity of binding with SDF-1β, and the 3rd extracellular loop contributes to the binding, too. Although the C-terminal in-tracellular domain has no association with the maintenance of the overall structure of the receptor and ligand binding capability, the signaling is decreased when this domain is truncated. For CXCR4 signaling, not only is the conserved motif DRY box needed, but also the characterized conformation of the whole molecule must be formed when activation is required. There are some overlaps between SDF-1β binding domains and coreceptor function domains in molecular structure of CXCR4.展开更多
The design of any antagonist or inhibitor for any enzyme requires the knowledge of structure- function relationship of the protein and the optimum conformational states for maximum and minimum activities. Furthermore,...The design of any antagonist or inhibitor for any enzyme requires the knowledge of structure- function relationship of the protein and the optimum conformational states for maximum and minimum activities. Furthermore, designing of the inhibitors or drugs against an enzyme becomes easier if there is information available about various well characterized intermediate conformation of the molecule. In vivo folding pathway of any recombinant protein is an important parameter for understanding its ability to fold by itself inside the cell, which always dictates the downstream processing for the purification. In the present manuscript we have discussed about the in vivo and in vitro folding, and structure-function relationship of Dihydrofolate reductase enzyme. This is an important enzyme involved in the cell growth and hence inhibition or inactivation of the enzyme may reduce the cell growth. It was observed that the equilibrium unfolding transition of DHFR proceeds through the formation of intermediates having higher exposed surface hydrophobicity, unchanged enzymatic activity and minimum changes in the secondary structural elements. Because of enhanced surface hydrophobicity, and unchanged enzymatic activity, these intermediates could be a nice target for designing drugs against DHFR.展开更多
基金supported by Key R&D Program of Shandong Province,China(2021CXGC010508)。
摘要This study demonstrates the feasibility of producing three polysaccharides(neutral LJP-1,acidic LJP-2 and acidic LJP-3)with significant in vitro and in vivo anti-inflammatory activities from the flowers of Lonicera japonica.The three polysaccharides differed in chemical composition,molecular weight(Mw)distribution,glycosidic linkage pattern,functional groups and morphology.They exhibited excellent protective effects(in a dose-dependent manner)in lipopolysaccharide-injured RAW264.7 macrophages and Cu SO4-damaged zebrafish via reducing NO production and inhibiting the overexpressions of inflammation-related transcription factors,inflammatory proteins and cytokines in the NF-κB/MAPK signaling pathways.Their antiinflammatory effects varied owing to their different molecular characteristics and chemical compositions.Overall,LJP-2 at 400μg/m L was the most effective.LJP-2 consisted mainly of→5)-α-L-Araf(1→,→4)-α-LGalp A(1→and→2)-α-L-Rhap(1→residues with terminal T-β-D-Glcp.Thus,honeysuckle flowers are good sources of anti-inflammatory polysaccharides,and precise fractionation enables the production of potent antiinflammatory agents for the development of functional foods and healthcare products.
基金supported by Chinese National Natural Science Foundation(31070701,31000962,31025025,30730026)the Program of Shanghai Subject Chief Scientist(NO.09XD1405100)+1 种基金the Ministry of Science and Technology(2010CB529800,2009ZX09103-1/091,2011ZX09102-002-10)the Ministry of Agriculture(2009ZX08009-159B).
摘要Cathelicidin Pc-CATH1 is a cathelicidin-derived myeloid antimicrobial peptide identified from Phasianus colchicus with strong antimicrobial activity against most of bacteria and fungi tested,including the clinically isolated(IS)drug-resistant strains.Considering the uniform distribution of net positive charge in both C-and N-terminus sequence of cathelicidin Pc-CATH1 and most of hydrophobic amino acid(aa)residues positioned in middle of the sequence,the antimicrobial peptide was used to investigate the structure-function relationship by truncating gradually N-or C-terminus amino acid residue.More than 10 modified peptide homo-logues(20-26 aa length)of cathelicidin Pc-CATH1 were found to keep strong antimicrobial abilities.The possible relationships between bioactivities including antimicrobial and hemolytic abilities,components of secondary structure,hydrophobicity,amphipathicity,net charge,and sequence length were investigated.The current work provided suggestions for structural and functional modification of linear,α-helical antimicrobial peptides containing no disulfided bridges.
摘要Hypoxanthine-guanine phosphoribosyltransferase ( HGPRT, EC 2.4.2.8) is a key enzyme of the purine salvage pathway, which allows recycling of purine bases into DNA and RNA. It is widely distributed in nature and has been studied both in prokaryotes and eukaryotes. In humans, a complete lack of HGPRT activity causes the Lesch-Nyhan syndrome, which is characterized by hyperuricaemia and neural disorders,
基金partially supported by National Natural Science Foundation of China (No.U21A2047,No.51971076,and No.51771062)National Key Research and Development Program of China (No.2022YFE0109600)。
摘要Magnesium-based materials not only exhibit desirable characteristics such as low density and high specific strength, but also possess exceptional functional properties, including high damping capacity, high thermal conductivity, high electromagnetic interference shielding capacity, flame retardancy, and dissolvability. However, achieving a balance between strength and functional properties remains a significant challenge in Mg alloys community. Typically, strength depends on the pinning effect of defects, such as solute atoms and second phases,which hinder dislocation motion. On the other hand, optimal functional properties usually necessitate relative perfect crystal structures, as the presence of solute atoms and second phases can have adverse effects on damping capacity and thermal conductivity. Balancing these conflicting requirements is difficult. The trade-off between strength and functional properties of the Mg alloys should be broken to meet the urgent need in aerospace, automotive, 3C(computers, communications, and consumer electronics) and energy industries for high performance structural-functional integrated Mg-based materials. This review summarizes recent progress in understanding the mechanisms and influencing factors for the functional properties of Mg alloys. The mechanisms underlying the trade-off between strength and functional properties of Mg alloys is discussed. The latest developed structural-functional integrated Mg alloys and their composites are summarized, including high strength Mg-based materials with high damping capacity/high thermal conductivity/strong electromagnetic shielding capability/excellent flame-resistance/high dissolution rate. The future works of developing structure-function integrated Mg-based materials are proposed.
摘要Recently,I attended a conference organised by the European Food Safety Authority in the beautiful and prosperous Italian city of Parma.The overall topic of the conference was risk assessment,and the program included a section on aspects of environmental risk assessment.In various areas,including the evalution of the effects of pesticide applications,invasive organisms or genetically modified plants(Arpaia et al.,2014)preparing an environmental risk assessment is an obviously relevant exercise.
基金supported by the Key Technologies Research and Development Program(2024YFC2909605)Black Soil Project of Shenyang Science and Technology Program(24-216-2-07)Fundamental Research Funds for the Central Universities(NO.N25BSS006).
摘要The pervasive accumulation of plastic waste exacerbates environmental degradation and undermines resource circularity.Selective thermal catalysis emerges as a transformative pathway for valorizing waste plastics into value-added chemicals,yet persistent challenges in catalytic activity and product selectivity demand systematic resolution.This review decodes cutting-edge advances in thermal depolymerization by converging two critical dimensions:atomic-scale active site engineering-where rational design of coordination features and interfacial architectures regulates C-C cleavage energetics and intermediate adsorption-and macromolecular-scale manipulation of polymer transient states-leveraging nanoconfinement effects,chain folding dynamics,and thermal fragmentation to accelerate conversion kinetics.We further highlight breakthroughs in operando char-acterization techniques that resolve time-evolving reaction coordinates across catalytic systems.By establishing multiscale structure-activity relationships linking catalyst configurations to polymer dynamics,this analysis derives design paradigms for next-generation upcycling systems.These principles enable economically viable,industrially scalable plastic valorization while charting a strategic trajectory toward carbon-circular economies.
基金supported by the National Natural Science Foundation of China(Nos.52271009 and 52301059).
摘要Magnesium alloys have a significant advantage,lower density over the other structure materials;hence,they have been widely used in various fields such as transportation and aerospace.With the development of research and the enlargement of the research scope,more advantages have been revealed:excellent shielding efficiency,extraordinarily high damping capacity,as well as impressive thermal conductivity.Therefore,Mg alloys have the potential to be various functional materials,such as electromagnetic shielding material,damping material,and thermal conductive material.This review comprehensively summarizes the research progress and the up-to-date summary of Mg alloys as structure–function integrated materials in recent years.Solute atoms,heat treatment,deformation,secondary phase,and temperature,which have a significant influence on the properties of magnesium alloys,are highlighted.We expect this review to be helpful for those who are working on developing structure–function integrated materials with superior comprehensive performance.
摘要The two major challenges in industrial enzymatic catalysis are the limited number of chemical reaction types that are catalyzed by enzymes and the instability of enzymes under harsh conditions in industrial catalysis.Expanding enzyme catalysis to a larger substrate scope and greater variety of chemical reactions and tuning the microenvironment surrounding enzyme molecules to achieve high enzyme performance are urgently needed.In this account,we focus on our efforts using the de novo approach to synthesis hybrid enzyme catalysts that can address these two challenges and the structure-function relationship is discussed to reveal the principles of designing hybrid enzyme catalysts.We hope that this account will promote further efforts toward fundamental research and wide applications of designed enzyme hybrid catalysts for expanding biocatalysis.
摘要Electrocatalysis offers a promising approach towards chemical synthesis driven by renewable energy.Molecular level understanding of the electrochemical interface remains challenging due to its compositional and structural complexity.In situ interfacial specific characterization techniques could help uncover structure-function relationships and reaction mechanism.To this end,electrochemical surface-enhanced Raman spectroscopy(SERS)and surface-enhanced infrared absorption spectroscopy(SEIRAS)thrive as powerful techniques to provide fingerprint information of interfacial species at reaction conditions.In this review,we first introduce the fundamentals of SERS and SEIRAS,followed by discussion regarding the technical challenges and potential solutions.Finally,we highlight future directions for further development of surface-enhanced spectroscopic techniques for electrocatalytic studies.
基金fnancially supported by Chinese National Foundation for Natural Sciences under Contracts(Nos.92060202,51972269 and 51872229)The Creative Research Foundation of the Science and Technology on Thermostructural Composite Materials Laboratory(No.JCKYS2020607001)State Key Laboratory of Advanced Technology for Materials Synthesis and Processing,China(Wuhan University of Technology,2021-KF-10)。
摘要The development of efficient and quick method to prepare structure-function integrative C/SiC composites is always a major challenge in this feld.Herein,the thermal conductivity and bending strength of C/SiC composites were enhanced simultaneously via continuous high heat conductive channels constructed by continuous wave laser machining and pitch-based high thermal conductivity carbon fber in thickness direction.Results revealed that the thermal conductivity of the modifed C/SiC composites is three times higher than that of referential C/SiC composites due to its highly ordered heat conducive channel in the thickness direction.Importantly,the bending strength of modifed C/SiC composites increased to 457MPa.To better understand the enhance mechanism,the micro-structure for both the composites and heat conductive channel was systematically analyzed.The results demonstrated that the rivet effect of heat conductive channel and the formed two phases structure on the fbers dispersed partial of load and fnally enhanced the property of the composites.In a word,this method holds a nice applicable future in constructing structure-function integrative C/SiC composites.
基金Supported by the National Natural Science Foundation of China (610620-07)the Principal Fund Project of Tarim University (TDZKSS201115)~~
摘要[Objective] To study virtual plant modeling based on mutual feedback of function-structure.[Method] With the analysis of the shortcomings of current virtual plant modeling method,the modeling with the idea of function-structure mutual feedback was put forward,and the steps of this modeling were elaborated,including the determination of morphological structure model,biomass production model,biomass allocation model,organ reconstruction model,and the integration method of function model and morphological structure model.[Results] The breakthrough of function-structure mutual feedback based mechanism from the boundaries of physiological ecology model and morphological structure model can solve the difficulty of data transmission between the two models and build an integrated model from the two,which can effectively reflect the incidence relation between plant morphology and function,and more suitable for the growth mechanisms of plants.This modeling approach has significant advantages in the dynamic simulation of plant growth.[Conclusion] The virtual plant modeling based on function-structure mutual feedback provides basis for the simulation of plant growth status in the next stage,and has important significance for the accurate simulation of the dynamic growth process of plant.
基金the authority of the Macquarie University Animal Ethics Committee (ARA No. 2007/037)supported by Australian Research Council Discovery Project Grant DP0881019 (to SCG)+1 种基金supported by the Research Council of Norway Grant 196554Young Research Talent grant from the Research Council of Norway (230434/F20)
摘要Background: Evolutionary biology endeavours to explain biological diversity,and as such it is critical to develop an understanding of the adaptive and functional significance of trait variation.Spermatozoa exhibit remarkable levels of morphological diversification.However,our understanding of the evolutionary causes and functional significance of this variation is limited,especially at the intraspecific level.Methods: We quantified variation in sperm morphology and performance between two subspecies of Long-tailed Finch(Poephila acuticauda acuticauda and P.a.hecki),a small grassfinch found in tropical northern Australia.Despite a zone of secondary contact,these subspecies are maintained as two distinct forms: P.a.acuticauda occurs in the western part of the species' range and has a yellow bill,while P.a.hecki exhibits a red bill and is found in the eastern part of the range.Results: We found small,but significant differences in sperm size between these subspecies(P.a.acuticauda had longer and narrower sperm than P.a.hecki),which was surprising given the recent evolutionary origins of these two taxa(i.e.0.3 million years ago).Additionally,both subspecies exhibited high values of between- and within-male variation in sperm morphology,though in the case of sperm midpiece length this variation was significantly lower in P.a.acuticauda relative to P.a.hecki.Conclusions: We suggest these observed differences in sperm morphology are the result of genetic drift and reflect historical processes associated with divergence between the eastern and western populations of these two subspecies.Finally,we discuss the potential implications of our findings for the process of population divergence and reproductive isolation.
摘要Cancer enzymology is a promising filiation of bio-medical sciences. In thepast decades, enzymes, such as GST(glutathione S-transferase) , PKC(protein kinase C) , Topo(DNAtopoisomerases), TK(tyrosine kinase), CD (bacterial cytosine deaminase), CPG2(carboxypeptidase G2) ,and PNP (purine nucleoside phosphorylase), have been known to bear close relations to cancer. Theirspecific expression and influence on the process of tumor initiation, promotion and progressionattract scientists to apply them as a biochemical marker of certain malignant tumor, a predictor ofresponse in cancer chemotherapy; to apply them to drug design, tumor prevention and as adjuvant toradiotherapy or surgery.
基金the financial support of the National Natural Science Foundation of China(grant number 22005145)the Natural Science Foundation of Jiangsu Province(grant number BK20180495,BK20180698)+1 种基金the Opening Project of Key Laboratory of Special Energy Materials(Nanjing University of Science and Technology)the Fundamental Research Funds for the Priority Academic Program Development of Jiangsu Higher Education Institutions(grant number 30919011404)。
摘要Hydroxyl-terminated polybutadieneoluene diisocyanate(HTPB/TDI)system is widely used in composite solid propellants.The migrations of plasticizers and water molecules from solid propellants and surrounding environment to the inhibitor have always been the important issues.This study focuses on the preparation,characterization and anti-migration behavior of graphene oxide(GO)/HTPB nanocomposite liner.The GO/HTPB(GH)composite liners affect the migration of small molecules through a tighter cross-linked structure and weakening function of small molecule adsorption.The anti-migration performance of the liner at different temperatures was analyzed,and the influence of the added amount of GO on the anti-migration performance and adhesion performance was also systematically studied.The overall performance of the liner is optimized when the amount of GO filler is 0.3 wt%.After adding 0.3 wt%GO,the concentration of dioctyl sebacate(DOS)migrated into the liner is decreased by 23.28%,and the concentration of water molecules is decreased by 51.89%,indicating that the introduction of GO can significantly improve the anti-migration performance of the liner.In addition,the bond strength is greatly increased from 0.25 MPa to 0.95 MPa,which meets the application requirements of the current propellant system.This research provides an important way for the preparation of structure-function synergistic anti-migration composite liners.
基金National Natural Science Foundation of China,Grant/Award Numbers:21972108,U20A20249,U22A20438Changzhou Science and Technology Bureau,Grant/Award Number:CM20223017Innovation and Technology Commission(ITC)of Hong Kong,The Innovation&Technology Fund(ITF)with Project No.ITS/126/21。
摘要Iron‐based pyrophosphates are attractive cathodes for sodium‐ion batteries due to their large framework,cost‐effectiveness,and high energy density.However,the understanding of the crystal structure is scarce and only a limited candidates have been reported so far.In this work,we found for the first time that a continuous solid solution,Na4−αFe2+α2(P2O7)2(0≤α≤1,could be obtained by mutual substitution of cations at center‐symmetric Na3 and Na4 sites while keeping the crystal building blocks of anionic P2O7 unchanged.In particular,a novel off‐stoichiometric Na3Fe(2.5)(P2O7)2is thus proposed,and its structure,energy storage mechanism,and electrochemical performance are extensively investigated to unveil the structure–function relationship.The as‐prepared off‐stoichiometric electrode delivers appealing performance with a reversible discharge capacity of 83 mAh g−1,a working voltage of 2.9 V(vs.Na+/Na),the retention of 89.2%of the initial capacity after 500 cycles,and enhanced rate capability of 51 mAh g−1at a current density of 1600 mA g−1.This research shows that sodium ferric pyrophosphate could form extended solid solution composition and promising phase is concealed in the range of Na4−αFe2+α2(P2O7)2,offering more chances for exploration of new cathode materials for the construction of high‐performance SIBs.
基金supported by China Scholarship Council(201306455001)the National Natural Science Foundation of China(61271407)the Fundamental Research Funds for the Central Universities(16CX06050A)
摘要The complex relationship between structural connectivity(SC) and functional connectivity(FC) of human brain networks is still a critical problem in neuroscience. In order to investigate the role of SC in shaping resting-state FC, numerous models have been proposed. Here, we use a simple dynamic model based on the susceptible-infected-susceptible(SIS) model along the shortest paths to predict FC from SC. Unlike the previous dynamic model based on SIS theory, we focus on the shortest paths as the principal routes to transmit signals rather than the empirical structural brain network. We first simplify the structurally connected network into an efficient propagation network according to the shortest paths and then combine SIS infection theory with the efficient network to simulate the dynamic process of human brain activity. Finally, we perform an extensive comparison study between the dynamic models embedded in the efficient network, the dynamic model embedded in the structurally connected network and dynamic mean field(DMF) model predicting FC from SC. Extensive experiments on two different resolution datasets indicate that i) the dynamic model simulated on the shortest paths can predict FC among both structurally connected and unconnected node pairs; ii) though there are fewer links in the efficient propagation network, the predictive power of FC derived from the efficient propagation network is better than the dynamic model simulated on a structural brain network; iii) in comparison with the DMF model,the dynamic model embedded in the shortest paths is found to perform better to predict FC.
基金supported by the National Natural Science Foundation of China(Nos.22077099 and 22171223)The Innovation Capability Support Program of Shaanxi(Nos.2023-CX-TD-75 and 2022KJXX-32)+5 种基金the Scientific and Technological Innovation Team of Shaanxi Province(No.2022TD-36)the Technology Innovation Leading Program of Shaanxi(No.2023KXJ-209)the Natural Science Basic Research Program of Shaanxi(Nos.2023-JC-YB-141 and 2022JQ-151)Young Talent Fund of Association for Science and Technology in Shaanxi,China(No.SWYY202206)the Shaanxi Fundamental Science Research Project for Chemistry&Biology(Nos.22JHZ010 and 22JHQ080)the Yan’an City Science and Technology Project(No.2022SLZDCY-002)。
摘要Dual-state emission(DSE)molecules displayed conspicuous fluorescent performance both in solid and solution states.However,the construction of DSE molecules and the regulation of their emission wavelengths remains a great challenge.Based on the structure-function relationship of quinolinonitrile-type fluorophores,this work proposed a feasible strategy for modulating their fluorescent properties into DSE via limiting the torsion angle between the quinoline ring and C=C bond in the range of 4.7°to 30°.Based on this strategy,53 compounds were obtained which displayed tunable emission wavelengths from397 nm to 740 nm in solid-state and from 360 nm to 672 nm in solution.The feasibility of the strategy was supported by a series of theoretical calculations,optical characterizations,and crystal analysis,suggesting the compounds have great potential in imaging living cells and tissues with desired wavelengths.
摘要HORMA domain-containing proteins play important roles in cell cycle regulation and DNA repair, acting as adaptors to recruit other proteins. Although containing the conserved HORMA domain in structure, different types of HORMA proteins have diverged significantly in function. The mechanisms underlying the evolution and functional diversification of HORMA proteins remain unclear. Here we conduct an integrative approach, combining sequence, structural, gene coexpression and protein-protein interaction data, to trace the structural and functional evolution of HORMA proteins. Comparative sequence and structure analysis revealed that variations in both amino acid sequence and domain composition contributed to the functional diversification of different HORMA domain- containing proteins. Multiple amino acid substitutions at the C-terminal region promoted the functional divergence between MAD2 and REV7 by facilitating interaction with different partners. The emergence of the HOPlCTD domain contributed to the function of HOP1 as a meiosis-specific structural component of the lateral elements of the synaptonemal complex. Additionally, different types of HORMA proteins were recruited into different functional modules in the genetic network while functioning distinctly.
摘要Objective: To explore the correlation between structure domains and functions of chemokine receptor CXCR4. Methods: After the establishment of wild type chemokine.receptor CXCR4 and CXCR2 expressing cell lines, 5 CXCR4/CXCR2 chimeras, 2 CXCR4 mutants were stably expressed on CHO cell line. Binding activities of all variants with the ligand, recombinant human SDF-1β, signal transduction ability after stimulation and their function as coreceptor for HIV-1 were studied with ligand-binding assay, Cytosensor/ microphysiometry and cell-cell reporter gene fusion assay. Results: Among all 7 changed CXCR4 receptors, 3 chimeras (2444a, 4442, 4122), and 1 mutant (CXCR4-Tr) bond with SDF-1β in varying degrees, of which only 2444a totally and CXCR4-Tr partially maintain signaling. All changed receptors except for 4222 could act as coreceptors for HIV-1 (LAI) in varying degrees. Conclusion: Several structure domains of CXCR4 are involved in the binding with SDF-1β, among which, N-terminal extracellular domain has high affinity of binding with SDF-1β, and the 3rd extracellular loop contributes to the binding, too. Although the C-terminal in-tracellular domain has no association with the maintenance of the overall structure of the receptor and ligand binding capability, the signaling is decreased when this domain is truncated. For CXCR4 signaling, not only is the conserved motif DRY box needed, but also the characterized conformation of the whole molecule must be formed when activation is required. There are some overlaps between SDF-1β binding domains and coreceptor function domains in molecular structure of CXCR4.
摘要The design of any antagonist or inhibitor for any enzyme requires the knowledge of structure- function relationship of the protein and the optimum conformational states for maximum and minimum activities. Furthermore, designing of the inhibitors or drugs against an enzyme becomes easier if there is information available about various well characterized intermediate conformation of the molecule. In vivo folding pathway of any recombinant protein is an important parameter for understanding its ability to fold by itself inside the cell, which always dictates the downstream processing for the purification. In the present manuscript we have discussed about the in vivo and in vitro folding, and structure-function relationship of Dihydrofolate reductase enzyme. This is an important enzyme involved in the cell growth and hence inhibition or inactivation of the enzyme may reduce the cell growth. It was observed that the equilibrium unfolding transition of DHFR proceeds through the formation of intermediates having higher exposed surface hydrophobicity, unchanged enzymatic activity and minimum changes in the secondary structural elements. Because of enhanced surface hydrophobicity, and unchanged enzymatic activity, these intermediates could be a nice target for designing drugs against DHFR.