Dear Editor,The brain experiences ongoing changes across different ages to support brain development and functional reorganization.During the span of adulthood,although the brain has matured from a neurobiological per...Dear Editor,The brain experiences ongoing changes across different ages to support brain development and functional reorganization.During the span of adulthood,although the brain has matured from a neurobiological perspective,it is still continuously shaped by external factors such as habits,the family setting,socioeconomic status,and the work environment [1].In contrast to chronological age (CA),brain(or biological) age (BA) is conceptualized as an important index for characterizing the aging process and neuropsychological state,as well as individual cognitiveperformance.Growing evidence indicates that BA can be assessed by neuroimaging techniques,including MRI [2].展开更多
The authors have retracted this article.After publication we found an error in the implementation code that resulted in data leakage in the age-prediction model training process.We have redesigned the prediction model...The authors have retracted this article.After publication we found an error in the implementation code that resulted in data leakage in the age-prediction model training process.We have redesigned the prediction model and tested the mode with an extended dataset(around 2000 subjects,in contrast to the 600 subjects in this article).展开更多
Objective This study reports the first imported case of Lassa fever(LF)in China.Laboratory detection and molecular epidemiological analysis of the Lassa virus(LASV)from this case offer valuable insights for the preven...Objective This study reports the first imported case of Lassa fever(LF)in China.Laboratory detection and molecular epidemiological analysis of the Lassa virus(LASV)from this case offer valuable insights for the prevention and control of LF.Methods Samples of cerebrospinal fluid(CSF),blood,urine,saliva,and environmental materials were collected from the patient and their close contacts for LASV nucleotide detection.Whole-genome sequencing was performed on positive samples to analyze the genetic characteristics of the virus.Results LASV was detected in the patient’s CSF,blood,and urine,while all samples from close contacts and the environment tested negative.The virus belongs to the lineage IV strain and shares the highest homology with strains from Sierra Leone.The variability in the glycoprotein complex(GPC)among different strains ranged from 3.9%to 15.1%,higher than previously reported for the seven known lineages.Amino acid mutation analysis revealed multiple mutations within the GPC immunogenic epitopes,increasing strain diversity and potentially impacting immune response.Conclusion The case was confirmed through nucleotide detection,with no evidence of secondary transmission or viral spread.The LASV strain identified belongs to lineage IV,with broader GPC variability than previously reported.Mutations in the immune-related sites of GPC may affect immune responses,necessitating heightened vigilance regarding the virus.展开更多
In 316L austenitic stainless steel,the presence of ferrite phase severely affects the non-magnetic properties.316L austenitic stainless steel with low-alloy type(L-316L)and high-alloy type(H-316L)has been studied.The ...In 316L austenitic stainless steel,the presence of ferrite phase severely affects the non-magnetic properties.316L austenitic stainless steel with low-alloy type(L-316L)and high-alloy type(H-316L)has been studied.The microstructure and solidification kinetics of the two as-cast grades were in situ observed by high temperature confocal laser scanning microscopy(HT-CLSM).There are significant differences in the as-cast microstructures of the two 316L stainless steel compositions.In L-316L steel,ferrite morphology appears as the short rods with a ferrite content of 6.98%,forming a dual-phase microstructure consisting of austenite and ferrite.Conversely,in H-316L steel,the ferrite appears as discontinuous network structures with a content of 4.41%,forming a microstructure composed of austenite and sigma(σ)phase.The alloying elements in H-316L steel exhibit a complex distribution,with Ni and Mo enriching at the austenite grain boundaries.HT-CLSM experiments provide the real-time observation of the solidification processes of both 316L specimens and reveal distinct solidification modes:L-316L steel solidifies in an FA mode,whereas H-316L steel solidifies in an AF mode.These differences result in ferrite and austenite predominantly serving as the nucleation and growth phases,respectively.The solidification mode observed by experiments is similar to the thermodynamic calculation results.The L-316L steel solidified in the FA mode and showed minimal element segregation,which lead to a direct transformation of ferrite to austenite phase(δ→γ)during phase transformation after solidification.Besides,the H-316L steel solidified in the AF mode and showed severe element segregation,which lead to Mo enrichment at grain boundaries and transformation of ferrite into sigma and austenite phases through the eutectoid reaction(δ→σ+γ).展开更多
The austenite(γ)reversely transformed from lath martensite(LM),lath bainite(LB),granular bainite(GB)and pearlite+ferrite(P+F)in a high-strength steel was studied at high temperatures using in-situ electron backscatte...The austenite(γ)reversely transformed from lath martensite(LM),lath bainite(LB),granular bainite(GB)and pearlite+ferrite(P+F)in a high-strength steel was studied at high temperatures using in-situ electron backscatter diffraction(EBSD).The memory effect of initial γ significantly affects the nucleation of the reverted γ in LM and GB structures,while a weak influence on that of LB and P+F structures.This results in a significant difference in γ grain size after complete austenitization,with the first two obtaining larger γ grains while the latter two are relatively small.Crystallographic analysis revealed that the reverted γ with acicular morphology(γA),most of which maintained the same orientation with the prior γ,dominated the reaustenitization behavior of LM and GB structures through preferential nucleation within γ grains and coalesced growth modes.Although globular reverted γ(γ_(G))with random orientation or large deviation from the prior γ can nucleate at the grain boundaries or within the grains,it is difficult for it to grow and play a role in segmenting and refining the prior γ due to the inhibition of γ_(A) coalescing.For LB and P+F structures,the nucleation rate of intragranular γ_(G) increases with increasing temperature,and always shows a random orientation.These γ_(G) grains can coarsen simultaneously with the intergranular γ_(G),ultimately playing a role in jointly dividing and refining the finalγgrains.Research also found that the differences in the effects of four different microstructures on revertedγnucleation are closely related to the variant selection of the matrix structure,as well as the content and size of cementite(θ).High density of block boundaries induced by weakening of variant selection and many fineθformed in the lath are the key to promoting LB structure to obtain more intragranular γ_(G) formation,as well as the important role of the large-sized θ in P+F structure.展开更多
Magnesium and its alloys offer lightweight advantage and have extensive development prospects,particularly in aerospace.However,their flammability poses a significant barrier on the development of Mg alloys.The igniti...Magnesium and its alloys offer lightweight advantage and have extensive development prospects,particularly in aerospace.However,their flammability poses a significant barrier on the development of Mg alloys.The ignition resistance of these alloys often depends on the protectiveness of the oxide film formed on the surface.This paper elucidates the formation mechanism of oxide film from thermodynamics and kinetics,classifying oxide films based on their layered structure to assess their protective properties.Furthermore,it comprehensively reviews the impact of characteristics on the protective effectiveness such as compactness,continuity,thickness,and mechanical properties.The paper also introduces various characterization methods for the microstructure and properties of oxide film.The primary objective of this paper is to enhance the comprehension of oxide film concerning the ignition resistance of Mg alloys and to furnish references for future advancements and research in Mg alloys with heightened ignition resistance.展开更多
Researchers have recently developed various surface engineering approaches to modify environmental catalysts and improve their catalytic activity.Defect engineering has proved to be one of the most promising modificat...Researchers have recently developed various surface engineering approaches to modify environmental catalysts and improve their catalytic activity.Defect engineering has proved to be one of the most promising modification methods.Constructing defects on the surface of catalytic materials can effectively modulate the coordination environment of the active sites,affecting and changing the electrons,geometry,and other important properties at the catalytic active sites,thus altering the catalytic activity of the catalysts.However,the conformational relationship between defects and catalytic activity remains to be clarified.This dissertation focuses on an overview of recent advances in defect engineering in environmental catalysis.Based on defining the classification of defects in catalytic materials,defect construction methods,and characterization techniques are summarized and discussed.Focusing on an overview of the characteristics of the role of defects in electrocatalytic,photocatalytic,and thermal catalytic reactions and the mechanism of catalytic reactions.An elaborate link is given between the reaction activity and the structure of catalyst defects.Finally,the existing challenges and possible future directions for the application of defect engineering in environmental catalysis are discussed,which are expected to guide the design and development of efficient environmental catalysts and mechanism studies.展开更多
The electrochemical conversion of nitrate,a widespread water pollutant,into valuable ammonia represents a green and decentralized approach to ammonia synthesis.However,the sluggish multielectronproton coupling path an...The electrochemical conversion of nitrate,a widespread water pollutant,into valuable ammonia represents a green and decentralized approach to ammonia synthesis.However,the sluggish multielectronproton coupling path and the low reactive species(nitrate and proton)concentration at the catalyst interface inhibit the efficiency of ammonia production from nitrate reduction reaction(NitRR).Herein,we introduce a novel iron-based tandem catalyst encapsulated by reduced graphene oxide(denoted as Fe-rGO),with a superior ammonia production rate of 47.815 mg h^(-1)mg_(ca)^(t-1)and a high Faraday efficiency(FE)of 96.51%at an applied potential of-0.5 V.It also delivers a robust stability with FE above90%under a current density of 250 mA cm^(-2)for 50 h.In situ X-ray absorption spectroscopy reveals that the FeO_(x)is dynamically translated to Fe~0 site concurrently with the enhancement of the NH_(3)production rate,suggesting the Fe^(0) site as hydrogenation active center.The asymmetric distribution of surface charges of rGO not only enriches nitrate ions at the catalytic interface and promotes the hydrogenation process in NitRR,but also protects the iron species and ensures their stability during electrolysis.The Zn-NO_(3)^(-)battery demonstrates an impressive FE of 88.6%,highlighting its exceptional potential for practical applications.展开更多
Accurate estimation of mineralogy from geophysical well logs is crucial for characterizing geological formations,particularly in hydrocarbon exploration,CO_(2) sequestration,and geothermal energy development.Current t...Accurate estimation of mineralogy from geophysical well logs is crucial for characterizing geological formations,particularly in hydrocarbon exploration,CO_(2) sequestration,and geothermal energy development.Current techniques,such as multimineral petrophysical analysis,offer details into mineralogical distribution.However,it is inherently time-intensive and demands substantial geological expertise for accurate model evaluation.Furthermore,traditional machine learning techniques often struggle to predict mineralogy accurately and sometimes produce estimations that violate fundamental physical principles.To address this,we present a new approach using Physics-Integrated Neural Networks(PINNs),that combines data-driven learning with domain-specific physical constraints,embedding petrophysical relationships directly into the neural network architecture.This approach enforces that predictions adhere to physical laws.The methodology is applied to the Broom Creek Deep Saline aquifer,a CO_(2) sequestration site in the Williston Basin,to predict the volumes of key mineral constituents—quartz,dolomite,feldspar,anhydrite,illite—along with porosity.Compared to traditional artificial neural networks (ANN),the PINN approach demonstrates higher accuracy and better generalizability,significantly enhancing predictive performance on unseen well datasets.The average mean error across the three blind wells is 0.123 for ANN and 0.042 for PINN,highlighting the superior accuracy of the PINN approach.This method reduces uncertainties in reservoir characterization by improving the reliability of mineralogy and porosity predictions,providing a more robust tool for decision-making in various subsurface geoscience applications.展开更多
With the ongoing depletion of fossil fuels,energy and environmental issues have become increasingly critical,necessitating the search for effective solutions.Catalysis,being one of the hallmarks of modern industry,off...With the ongoing depletion of fossil fuels,energy and environmental issues have become increasingly critical,necessitating the search for effective solutions.Catalysis,being one of the hallmarks of modern industry,offers a promising avenue for researchers.However,the question of how to significantly enhance the performance of catalysts has gradually drawn the attention of scholars.Defect engineering,a commonly employed and effective approach to improve catalyst activity,has become a significant research focus in the catalysis field in recent years.Nonmetal vacancies have received extensive attention due to their simple form.Consequently,exploration of metal vacancies has remained stagnant for a considerable period,resulting in a scarcity of comprehensive reviews on this topic.Therefore,based on the latest research findings,this paper summarizes and consolidates the construction strategies for metal vacancies,characterization techniques,and their roles in typical energy and environmental catalytic reactions.Additionally,it outlines potential challenges in the future,aiming to provide valuable references for researchers interested in investigating metal vacancies.展开更多
The copper complexing of dissolved organic matter released from hydrochar(HDOM)affects the former’s environmental behavior.In this study,how hydrothermal temperatures(180,220 and 260℃)influence the molecular-level c...The copper complexing of dissolved organic matter released from hydrochar(HDOM)affects the former’s environmental behavior.In this study,how hydrothermal temperatures(180,220 and 260℃)influence the molecular-level constitutions and Cu(II)binding features of HDOM were elucidated via fourier transform ion cyclotron resonance mass spectrometry and multi-spectroscopic analysis.The findings demonstrated that the almost HDOM molecules had the traits of lower polarity and higher hydrophobicity.As the hydrothermal temperature increased,the molecules with particularly high relative strength gradually disappeared,average molecular weight,percentages of CHON and aliphatic compounds of HDOM reduced while the percentages of CHO and aromatic compounds increased.In general,the fluorescence quenching of Cu(II)weakened as hydrothermal temperature rose and the Cu(II)binding stability constants of fluorophores in HDOM were 4.50–5.31.In addition,the Cu(II) binding order of fluorophores in HDOM showed temperature heterogeneities, andpolysaccharides or aromatic rings of non-fluorescent substances had the fastest responsesto Cu(II) binding. Generally, fluorescent components tend to bind Cu(II) at relatively traceconcentrations (0–40 μmol/L), whereas non-fluorescent substances tend to the bind Cu(II)at relatively higher concentrations (50–100 μmol/L). This study contributed to the predictionof the potential environmental behaviors and risks of Cu(II) at the molecular level afterhydrochar application.展开更多
This study investigates the mechanism of action of representative molecules of basalt fibers on the healing of water-soaked asphalt.Thermodynamic parameters,morphological characteristics,interfacial healing energy,and...This study investigates the mechanism of action of representative molecules of basalt fibers on the healing of water-soaked asphalt.Thermodynamic parameters,morphological characteristics,interfacial healing energy,and interfacial healing strength were analyzed using molecular dynamics and macroscopic tests under different time,temperature,and water conditions to evaluate the specific states and critical conditions involved in self-healing.The results indicate that basalt-fiber molecules can induce rearrangement and a combination of water-soaked asphalt at the healing interface.Hydroxyl groups with different bonding states increase the interfacial adsorption capacity of water-soaked asphalt.The interaction between basalt fiber molecules and water molecules leads to a"hoop"phenomenon,while aromatics-2 molecules exhibit a"ring band aggregation"phenomenon.The former reduces the miscibility of water and asphalt molecules,while the latter causes slow diffusion of the components.Furthermore,a micro-macro dual-scale comparison of interfacial healing strength was conducted at temperatures of 297.15 and 312.15 K to identify the strength transition point and critical temperature of 299.4 K during the self-healing process of basalt-fiber modified water-soaked asphalt.展开更多
Joint roughness coefficient(JRC)is the most commonly used parameter for quantifying surface roughness of rock discontinuities in practice.The system composed of multiple roughness statistical parameters to measure JRC...Joint roughness coefficient(JRC)is the most commonly used parameter for quantifying surface roughness of rock discontinuities in practice.The system composed of multiple roughness statistical parameters to measure JRC is a nonlinear system with a lot of overlapping information.In this paper,a dataset of eight roughness statistical parameters covering 112 digital joints is established.Then,the principal component analysis method is introduced to extract the significant information,which solves the information overlap problem of roughness characterization.Based on the two principal components of extracted features,the white shark optimizer algorithm was introduced to optimize the extreme gradient boosting model,and a new machine learning(ML)prediction model was established.The prediction accuracy of the new model and the other 17 models was measured using statistical metrics.The results show that the prediction result of the new model is more consistent with the real JRC value,with higher recognition accuracy and generalization ability.展开更多
To address the limitations of contemporary lithium-ion batteries,particularly their low energy density and safety concerns,all-solid-state lithium batteries equipped with solid-state electrolytes have been identified ...To address the limitations of contemporary lithium-ion batteries,particularly their low energy density and safety concerns,all-solid-state lithium batteries equipped with solid-state electrolytes have been identified as an up-and-coming alternative.Among the various SEs,organic–inorganic composite solid electrolytes(OICSEs)that combine the advantages of both polymer and inorganic materials demonstrate promising potential for large-scale applications.However,OICSEs still face many challenges in practical applications,such as low ionic conductivity and poor interfacial stability,which severely limit their applications.This review provides a comprehensive overview of recent research advancements in OICSEs.Specifically,the influence of inorganic fillers on the main functional parameters of OICSEs,including ionic conductivity,Li+transfer number,mechanical strength,electrochemical stability,electronic conductivity,and thermal stability are systematically discussed.The lithium-ion conduction mechanism of OICSE is thoroughly analyzed and concluded from the microscopic perspective.Besides,the classic inorganic filler types,including both inert and active fillers,are categorized with special emphasis on the relationship between inorganic filler structure design and the electrochemical performance of OICSEs.Finally,the advanced characterization techniques relevant to OICSEs are summarized,and the challenges and perspectives on the future development of OICSEs are also highlighted for constructing superior ASSLBs.展开更多
The SiO_(2)'-CaO/(CaO+K_(2)O)(S'CK)diagram is an empirically derived major element-based equivalent to the modal IUGS alkali feldspar-quartz-plagioclase classification scheme for granitoids.It employs the cont...The SiO_(2)'-CaO/(CaO+K_(2)O)(S'CK)diagram is an empirically derived major element-based equivalent to the modal IUGS alkali feldspar-quartz-plagioclase classification scheme for granitoids.It employs the content of SiO_(2)and CaO/(CaO+K_(2)O)ratio to approximate the IUGS classification diagram and a normative-based Q'-ANOR plot.Four trends have been superimposed onto the SiO_(2)'-CaO/(CaO+K_(2)O)diagram based on published datasets from the Peninsular Ranges(calcic:C),Tuolumne(calc-alkalic:CA),Sherman(alkali-calcic:AC),and Bjerkreim-Sokndal(alkalic:A)batholiths,which were employed to constrain the positions of the C-CA,CA-AC and AC-A suite boundaries on the SiO_(2)versus(Na_(2)O+K_(2)O-CaO)(or modified alkali-lime index,MALI)granitic classification diagram.A merit of the SiO_(2)'-CaO/(CaO+K_(2)O)plot is identifying rock types comprising a suite and their relative abundances.The distinguished projections of five typical granitoid assemblages,which are summarized by Bonin et al.(2020),demonstrate the ability of SiO_(2)'-CaO/(CaO+K_(2)O)diagram to decipher their petrogenesis.The SiO_(2)'-CaO/(CaO+K_(2)O)plots for the plutonic suites of'known'tectonic settings can reveal their evolution paths and the lithological statistics.Accordingly,it is suggested that the SiO_(2)'-CaO/(CaO+K_(2)O)plot can distinguish the tectonic environments of plutonic suits by comparing the plutonic suites or batholiths of'unknown'tectonic context to the published datasets from granitoid suites formed within'known'tectonic settings.The modified SiO_(2)'-CaO/(CaO+K_(2)O)diagram links the bulk chemical composition of granitoid suites to the likely source,magmatic evolution,and tectonic setting;thus,it may be a useful tectono-magmatic classification scheme for granitoid suites.展开更多
Niobates are promising all-climate Li^(+)-storage anode material due to their fast charge transport,large specific capacities,and resistance to electrolyte reaction.However,their moderate unit-cellvolume expansion(gen...Niobates are promising all-climate Li^(+)-storage anode material due to their fast charge transport,large specific capacities,and resistance to electrolyte reaction.However,their moderate unit-cellvolume expansion(generally 5%–10%)during Li^(+)storage causes unsatisfactory long-term cyclability.Here,“zero-strain”NiNb_(2)O_(6) fibers are explored as a new anode material with comprehensively good electrochemical properties.During Li^(+)storage,the expansion of electrochemical inactive NiO_(6) octahedra almost fully offsets the shrinkage of active NbO_(6) octahedra through reversible O movement.Such superior volume-accommodation capability of the NiO_(6) layers guarantees the“zero-strain”behavior of NiNb_(2)O_(6) in a broad temperature range(0.53%//0.51%//0.74%at 25//−10//60℃),leading to the excellent cyclability of the NiNb_(2)O_(6) fibers(92.8%//99.2%//91.1%capacity retention after 1000//2000//1000 cycles at 10C and 25//−10//60℃).This NiNb_(2)O_(6) material further exhibits a large reversible capacity(300//184//318 mAh g−1 at 0.1C and 25//−10//60℃)and outstanding rate performance(10 to 0.5C capacity percentage of 64.3%//50.0%//65.4%at 25//−10//60℃).Therefore,the NiNb_(2)O_(6) fibers are especially suitable for large-capacity,fast-charging,long-life,and all-climate lithium-ion batteries.展开更多
This data set collects,compares and contrasts the capacities and structures of a series of hard carbon materials,and then searches for correlations between structure and electrochemical performance.The capacity data o...This data set collects,compares and contrasts the capacities and structures of a series of hard carbon materials,and then searches for correlations between structure and electrochemical performance.The capacity data of the hard carbons were obtained by charge/discharge tests and the materials were characterized by XRD,gas adsorption,true density tests and SAXS.In particular,the fitting of SAXS gave a series of structural parameters which showed good characterization.The related test details are given with the structural data of the hard carbons and the electrochemical performance of the sodium-ion batteries.展开更多
2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(...2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(4)H_(2)N)C_(6)H4NC(Ph)=NDipp]-,Dipp=2,6-iPr_(2)C_(6)H_(3))were investigated.The 1H NMR spectroscopy indicate that the reaction of ytrrium dialkyl complex with one equivalent of 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10) produce the mixture of ytrrium alkyl-amido complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))(CH_(2)SiMe3)](R=CH_(3),2a;R=Ph,2b)and bis(amido)complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))_(2)](R=CH_(3),3a;R=Ph,3b).The yttrium bridging imido complex[Y(L)(2-CH_(3)-1-N-o-C_(2)B_(10)H_(10))]_(2)(4a)was obtained by heating the mixture at 55℃for 12 h.Complex 3a was isolated and characterized by treating the yttrium dialkyl complex with two equivalents of 1a.The structures of complexes 3a and 4a were verified by single-crystal Xray diffraction.CCDC:2424136,3a;2424137,4a.展开更多
A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]py...A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713.展开更多
The xylitol dehydrogenase(XDH)is a crucial enzyme involved in the xylose utilization in pentose⁃catabolizing yeasts and fungi.In addition to producing xylulose,XDH can also be employed to develop a biosensor for monit...The xylitol dehydrogenase(XDH)is a crucial enzyme involved in the xylose utilization in pentose⁃catabolizing yeasts and fungi.In addition to producing xylulose,XDH can also be employed to develop a biosensor for monitoring xylitol concentration.In this study,the gene encoding the thermophilic fungus Talaromyces emersonii XDH(TeXDH)was heterologously expressed in Escherichia coli BL21(DE3)at 16℃in the soluble form.Recombinant TeXDH with high purity was purified by using a Ni⁃NTA affinity column.Size⁃exclusion chromatography and SDS⁃PAGE analysis demonstrated that the puri⁃fied recombinant TeXDH exists as a native trimer with a molecular mass of approximately 116 kD,and is composed of three identical subunits,each with a molecular weight of around 39 kD.The TeXDH strictly preferred NAD^(+)as a coenzyme to NADP^(+).The optimal temperature and pH of the TeXDH were 40℃and 10.0,respectively.After EDTA treatment,the enzyme activity of TeXDH decreased to 43.26%of the initial enzyme activity,while the divalent metal ions Mg^(2+)or Ca^(2+)could recover the enzyme activity of TeXDH,reaching 103.32%and 110.69%of the initial enzyme activity,respectively,making them the optimal divalent metal ion cofactors for TeXDH enzyme.However,the divalent metal ions of Mn^(2+),Ni^(2+),Cu^(2+),Zn^(2+),Co^(2+),and Cd^(2+)significantly inhibited the activity of TeXDH.ICP⁃MS and molecular doc⁃king studies revealed that 1 mol/L of TeXDH bound 2 mol/L Zn^(2+)ions and 1 mol/L Mg^(2+)ion.Further⁃more,TeXDH exhibited a high specificity for xylitol,laying the foundation for the development of future xylitol biosensors.展开更多
基金supported by the National Natural Science Foundation of China(61971420)the Beijing Brain Initiative of the Beijing Municipal Science and Technology Commission(Z181100001518003)+1 种基金Special Projects of Brain Science of the Beijing Municipal Science and Technology Commission(Z161100000216139 and Z171100000117002)the International Cooperation and Exchange of the National Natural Science Foundation of China(31620103905)。
文摘Dear Editor,The brain experiences ongoing changes across different ages to support brain development and functional reorganization.During the span of adulthood,although the brain has matured from a neurobiological perspective,it is still continuously shaped by external factors such as habits,the family setting,socioeconomic status,and the work environment [1].In contrast to chronological age (CA),brain(or biological) age (BA) is conceptualized as an important index for characterizing the aging process and neuropsychological state,as well as individual cognitiveperformance.Growing evidence indicates that BA can be assessed by neuroimaging techniques,including MRI [2].
文摘The authors have retracted this article.After publication we found an error in the implementation code that resulted in data leakage in the age-prediction model training process.We have redesigned the prediction model and tested the mode with an extended dataset(around 2000 subjects,in contrast to the 600 subjects in this article).
基金supported by Public Health Talent Training and Surport Plan(National Administration of Disease Prevention and Control)Research and application of new technology for rapid monitoring and tracing of emergent infectious diseases among entry-exit population(2024YFFK0056)Monitoring,Early warning and Response of Major Infectious Diseases(2022ZDZX0017).
文摘Objective This study reports the first imported case of Lassa fever(LF)in China.Laboratory detection and molecular epidemiological analysis of the Lassa virus(LASV)from this case offer valuable insights for the prevention and control of LF.Methods Samples of cerebrospinal fluid(CSF),blood,urine,saliva,and environmental materials were collected from the patient and their close contacts for LASV nucleotide detection.Whole-genome sequencing was performed on positive samples to analyze the genetic characteristics of the virus.Results LASV was detected in the patient’s CSF,blood,and urine,while all samples from close contacts and the environment tested negative.The virus belongs to the lineage IV strain and shares the highest homology with strains from Sierra Leone.The variability in the glycoprotein complex(GPC)among different strains ranged from 3.9%to 15.1%,higher than previously reported for the seven known lineages.Amino acid mutation analysis revealed multiple mutations within the GPC immunogenic epitopes,increasing strain diversity and potentially impacting immune response.Conclusion The case was confirmed through nucleotide detection,with no evidence of secondary transmission or viral spread.The LASV strain identified belongs to lineage IV,with broader GPC variability than previously reported.Mutations in the immune-related sites of GPC may affect immune responses,necessitating heightened vigilance regarding the virus.
基金support of the Research Project Supported by Shanxi Scholarship Council of China(2022-040)"Chunhui Plan"Collaborative Research Project by the Ministry of Education of China(HZKY20220507)+2 种基金National Natural Science Foundation of China(52104338)Applied Fundamental Research Programs of Shanxi Province(202303021221036)Shandong Postdoctoral Science Foundation(SDCX-ZG-202303027,SDBX2023054).
文摘In 316L austenitic stainless steel,the presence of ferrite phase severely affects the non-magnetic properties.316L austenitic stainless steel with low-alloy type(L-316L)and high-alloy type(H-316L)has been studied.The microstructure and solidification kinetics of the two as-cast grades were in situ observed by high temperature confocal laser scanning microscopy(HT-CLSM).There are significant differences in the as-cast microstructures of the two 316L stainless steel compositions.In L-316L steel,ferrite morphology appears as the short rods with a ferrite content of 6.98%,forming a dual-phase microstructure consisting of austenite and ferrite.Conversely,in H-316L steel,the ferrite appears as discontinuous network structures with a content of 4.41%,forming a microstructure composed of austenite and sigma(σ)phase.The alloying elements in H-316L steel exhibit a complex distribution,with Ni and Mo enriching at the austenite grain boundaries.HT-CLSM experiments provide the real-time observation of the solidification processes of both 316L specimens and reveal distinct solidification modes:L-316L steel solidifies in an FA mode,whereas H-316L steel solidifies in an AF mode.These differences result in ferrite and austenite predominantly serving as the nucleation and growth phases,respectively.The solidification mode observed by experiments is similar to the thermodynamic calculation results.The L-316L steel solidified in the FA mode and showed minimal element segregation,which lead to a direct transformation of ferrite to austenite phase(δ→γ)during phase transformation after solidification.Besides,the H-316L steel solidified in the AF mode and showed severe element segregation,which lead to Mo enrichment at grain boundaries and transformation of ferrite into sigma and austenite phases through the eutectoid reaction(δ→σ+γ).
基金financially supported by the National Natural Science Foundation of China(Nos.52271089 and 52001023)the Basic Research and Application Basic Research Foundation of Guangdong Province(Nos.2022A1515240016 and 2023B1515250006)the Fundamental Research Funds for the Central Universities(No.FRF-BD-23-01).
文摘The austenite(γ)reversely transformed from lath martensite(LM),lath bainite(LB),granular bainite(GB)and pearlite+ferrite(P+F)in a high-strength steel was studied at high temperatures using in-situ electron backscatter diffraction(EBSD).The memory effect of initial γ significantly affects the nucleation of the reverted γ in LM and GB structures,while a weak influence on that of LB and P+F structures.This results in a significant difference in γ grain size after complete austenitization,with the first two obtaining larger γ grains while the latter two are relatively small.Crystallographic analysis revealed that the reverted γ with acicular morphology(γA),most of which maintained the same orientation with the prior γ,dominated the reaustenitization behavior of LM and GB structures through preferential nucleation within γ grains and coalesced growth modes.Although globular reverted γ(γ_(G))with random orientation or large deviation from the prior γ can nucleate at the grain boundaries or within the grains,it is difficult for it to grow and play a role in segmenting and refining the prior γ due to the inhibition of γ_(A) coalescing.For LB and P+F structures,the nucleation rate of intragranular γ_(G) increases with increasing temperature,and always shows a random orientation.These γ_(G) grains can coarsen simultaneously with the intergranular γ_(G),ultimately playing a role in jointly dividing and refining the finalγgrains.Research also found that the differences in the effects of four different microstructures on revertedγnucleation are closely related to the variant selection of the matrix structure,as well as the content and size of cementite(θ).High density of block boundaries induced by weakening of variant selection and many fineθformed in the lath are the key to promoting LB structure to obtain more intragranular γ_(G) formation,as well as the important role of the large-sized θ in P+F structure.
基金supported by the National Key Research and Development Program of China(Grant No.2021YFB3501002)the National Natural Science Foundation of China(Grant No.52301059,No.52271009)the Shanghai Post-doctoral Excellence Program(Grant No.2023372).
文摘Magnesium and its alloys offer lightweight advantage and have extensive development prospects,particularly in aerospace.However,their flammability poses a significant barrier on the development of Mg alloys.The ignition resistance of these alloys often depends on the protectiveness of the oxide film formed on the surface.This paper elucidates the formation mechanism of oxide film from thermodynamics and kinetics,classifying oxide films based on their layered structure to assess their protective properties.Furthermore,it comprehensively reviews the impact of characteristics on the protective effectiveness such as compactness,continuity,thickness,and mechanical properties.The paper also introduces various characterization methods for the microstructure and properties of oxide film.The primary objective of this paper is to enhance the comprehension of oxide film concerning the ignition resistance of Mg alloys and to furnish references for future advancements and research in Mg alloys with heightened ignition resistance.
基金supported by The National Key R&D Program of China(No.2021YFB3500700)National Natural Science Foundation of China(Nos.21677010 and 51808037)Special fund of Beijing Key Laboratory of Indoor Air Quality Evaluation and Control(No.BZ0344KF21-04)。
文摘Researchers have recently developed various surface engineering approaches to modify environmental catalysts and improve their catalytic activity.Defect engineering has proved to be one of the most promising modification methods.Constructing defects on the surface of catalytic materials can effectively modulate the coordination environment of the active sites,affecting and changing the electrons,geometry,and other important properties at the catalytic active sites,thus altering the catalytic activity of the catalysts.However,the conformational relationship between defects and catalytic activity remains to be clarified.This dissertation focuses on an overview of recent advances in defect engineering in environmental catalysis.Based on defining the classification of defects in catalytic materials,defect construction methods,and characterization techniques are summarized and discussed.Focusing on an overview of the characteristics of the role of defects in electrocatalytic,photocatalytic,and thermal catalytic reactions and the mechanism of catalytic reactions.An elaborate link is given between the reaction activity and the structure of catalyst defects.Finally,the existing challenges and possible future directions for the application of defect engineering in environmental catalysis are discussed,which are expected to guide the design and development of efficient environmental catalysts and mechanism studies.
基金supported by the National Natural Science Foundation of China(12205300(H.S.),12405377(M.H.L))the Postdoctoral Science Foundation of China(2024M763694(M.H.L))+3 种基金the Natural Science Foundation of Hunan Province(2024JJ4027(H.S.))the Postdoctoral Fellowship Program of CPSF under Grant Number GZB20240859(M.H.L)financial support from the Hunan Normal University Program(grant05311204666)financial support from the 2024 Large Instrument Testing Open Fund of Hunan Normal University(24CSY033,24CSY086)。
文摘The electrochemical conversion of nitrate,a widespread water pollutant,into valuable ammonia represents a green and decentralized approach to ammonia synthesis.However,the sluggish multielectronproton coupling path and the low reactive species(nitrate and proton)concentration at the catalyst interface inhibit the efficiency of ammonia production from nitrate reduction reaction(NitRR).Herein,we introduce a novel iron-based tandem catalyst encapsulated by reduced graphene oxide(denoted as Fe-rGO),with a superior ammonia production rate of 47.815 mg h^(-1)mg_(ca)^(t-1)and a high Faraday efficiency(FE)of 96.51%at an applied potential of-0.5 V.It also delivers a robust stability with FE above90%under a current density of 250 mA cm^(-2)for 50 h.In situ X-ray absorption spectroscopy reveals that the FeO_(x)is dynamically translated to Fe~0 site concurrently with the enhancement of the NH_(3)production rate,suggesting the Fe^(0) site as hydrogenation active center.The asymmetric distribution of surface charges of rGO not only enriches nitrate ions at the catalytic interface and promotes the hydrogenation process in NitRR,but also protects the iron species and ensures their stability during electrolysis.The Zn-NO_(3)^(-)battery demonstrates an impressive FE of 88.6%,highlighting its exceptional potential for practical applications.
基金the North Dakota Industrial Commission (NDIC) for their financial supportprovided by the University of North Dakota Computational Research Center。
文摘Accurate estimation of mineralogy from geophysical well logs is crucial for characterizing geological formations,particularly in hydrocarbon exploration,CO_(2) sequestration,and geothermal energy development.Current techniques,such as multimineral petrophysical analysis,offer details into mineralogical distribution.However,it is inherently time-intensive and demands substantial geological expertise for accurate model evaluation.Furthermore,traditional machine learning techniques often struggle to predict mineralogy accurately and sometimes produce estimations that violate fundamental physical principles.To address this,we present a new approach using Physics-Integrated Neural Networks(PINNs),that combines data-driven learning with domain-specific physical constraints,embedding petrophysical relationships directly into the neural network architecture.This approach enforces that predictions adhere to physical laws.The methodology is applied to the Broom Creek Deep Saline aquifer,a CO_(2) sequestration site in the Williston Basin,to predict the volumes of key mineral constituents—quartz,dolomite,feldspar,anhydrite,illite—along with porosity.Compared to traditional artificial neural networks (ANN),the PINN approach demonstrates higher accuracy and better generalizability,significantly enhancing predictive performance on unseen well datasets.The average mean error across the three blind wells is 0.123 for ANN and 0.042 for PINN,highlighting the superior accuracy of the PINN approach.This method reduces uncertainties in reservoir characterization by improving the reliability of mineralogy and porosity predictions,providing a more robust tool for decision-making in various subsurface geoscience applications.
基金financially supported by National Key R&D Program of China(2021YFB3500702)National Natural Science Foundation of China(Nos.21677010 and 51808037)Special fund of Beijing Key Laboratory of Indoor Air Quality Evaluation and Control(No.BZ0344KF21-04).
文摘With the ongoing depletion of fossil fuels,energy and environmental issues have become increasingly critical,necessitating the search for effective solutions.Catalysis,being one of the hallmarks of modern industry,offers a promising avenue for researchers.However,the question of how to significantly enhance the performance of catalysts has gradually drawn the attention of scholars.Defect engineering,a commonly employed and effective approach to improve catalyst activity,has become a significant research focus in the catalysis field in recent years.Nonmetal vacancies have received extensive attention due to their simple form.Consequently,exploration of metal vacancies has remained stagnant for a considerable period,resulting in a scarcity of comprehensive reviews on this topic.Therefore,based on the latest research findings,this paper summarizes and consolidates the construction strategies for metal vacancies,characterization techniques,and their roles in typical energy and environmental catalytic reactions.Additionally,it outlines potential challenges in the future,aiming to provide valuable references for researchers interested in investigating metal vacancies.
基金supported by the National Natural Science Foundation of China(No.42307090)the Open Subject from State Environmental Protection Key Laboratory of Aquatic Ecosystem Health in theMiddle and Lower Reaches of Yangtze River(No.AEHKF2023008).
文摘The copper complexing of dissolved organic matter released from hydrochar(HDOM)affects the former’s environmental behavior.In this study,how hydrothermal temperatures(180,220 and 260℃)influence the molecular-level constitutions and Cu(II)binding features of HDOM were elucidated via fourier transform ion cyclotron resonance mass spectrometry and multi-spectroscopic analysis.The findings demonstrated that the almost HDOM molecules had the traits of lower polarity and higher hydrophobicity.As the hydrothermal temperature increased,the molecules with particularly high relative strength gradually disappeared,average molecular weight,percentages of CHON and aliphatic compounds of HDOM reduced while the percentages of CHO and aromatic compounds increased.In general,the fluorescence quenching of Cu(II)weakened as hydrothermal temperature rose and the Cu(II)binding stability constants of fluorophores in HDOM were 4.50–5.31.In addition,the Cu(II) binding order of fluorophores in HDOM showed temperature heterogeneities, andpolysaccharides or aromatic rings of non-fluorescent substances had the fastest responsesto Cu(II) binding. Generally, fluorescent components tend to bind Cu(II) at relatively traceconcentrations (0–40 μmol/L), whereas non-fluorescent substances tend to the bind Cu(II)at relatively higher concentrations (50–100 μmol/L). This study contributed to the predictionof the potential environmental behaviors and risks of Cu(II) at the molecular level afterhydrochar application.
文摘This study investigates the mechanism of action of representative molecules of basalt fibers on the healing of water-soaked asphalt.Thermodynamic parameters,morphological characteristics,interfacial healing energy,and interfacial healing strength were analyzed using molecular dynamics and macroscopic tests under different time,temperature,and water conditions to evaluate the specific states and critical conditions involved in self-healing.The results indicate that basalt-fiber molecules can induce rearrangement and a combination of water-soaked asphalt at the healing interface.Hydroxyl groups with different bonding states increase the interfacial adsorption capacity of water-soaked asphalt.The interaction between basalt fiber molecules and water molecules leads to a"hoop"phenomenon,while aromatics-2 molecules exhibit a"ring band aggregation"phenomenon.The former reduces the miscibility of water and asphalt molecules,while the latter causes slow diffusion of the components.Furthermore,a micro-macro dual-scale comparison of interfacial healing strength was conducted at temperatures of 297.15 and 312.15 K to identify the strength transition point and critical temperature of 299.4 K during the self-healing process of basalt-fiber modified water-soaked asphalt.
基金funding from the National Natural Science Foundation of China (Grant No.42277175)the pilot project of cooperation between the Ministry of Natural Resources and Hunan Province“Research and demonstration of key technologies for comprehensive remote sensing identification of geological hazards in typical regions of Hunan Province” (Grant No.2023ZRBSHZ056)the National Key Research and Development Program of China-2023 Key Special Project (Grant No.2023YFC2907400).
文摘Joint roughness coefficient(JRC)is the most commonly used parameter for quantifying surface roughness of rock discontinuities in practice.The system composed of multiple roughness statistical parameters to measure JRC is a nonlinear system with a lot of overlapping information.In this paper,a dataset of eight roughness statistical parameters covering 112 digital joints is established.Then,the principal component analysis method is introduced to extract the significant information,which solves the information overlap problem of roughness characterization.Based on the two principal components of extracted features,the white shark optimizer algorithm was introduced to optimize the extreme gradient boosting model,and a new machine learning(ML)prediction model was established.The prediction accuracy of the new model and the other 17 models was measured using statistical metrics.The results show that the prediction result of the new model is more consistent with the real JRC value,with higher recognition accuracy and generalization ability.
基金supported by the National Natural Science Foundation of China(Grant No.22075064,52302234,52272241)Zhejiang Provincial Natural Science Foundation of China under Grant No.LR24E020001+2 种基金Natural Science of Heilongjiang Province(No.LH2023B009)China Postdoctoral Science Foundation(2022M710950)Heilongjiang Postdoctoral Fund(LBH-Z21131),National Key Laboratory Projects(No.SYSKT20230056).
文摘To address the limitations of contemporary lithium-ion batteries,particularly their low energy density and safety concerns,all-solid-state lithium batteries equipped with solid-state electrolytes have been identified as an up-and-coming alternative.Among the various SEs,organic–inorganic composite solid electrolytes(OICSEs)that combine the advantages of both polymer and inorganic materials demonstrate promising potential for large-scale applications.However,OICSEs still face many challenges in practical applications,such as low ionic conductivity and poor interfacial stability,which severely limit their applications.This review provides a comprehensive overview of recent research advancements in OICSEs.Specifically,the influence of inorganic fillers on the main functional parameters of OICSEs,including ionic conductivity,Li+transfer number,mechanical strength,electrochemical stability,electronic conductivity,and thermal stability are systematically discussed.The lithium-ion conduction mechanism of OICSE is thoroughly analyzed and concluded from the microscopic perspective.Besides,the classic inorganic filler types,including both inert and active fillers,are categorized with special emphasis on the relationship between inorganic filler structure design and the electrochemical performance of OICSEs.Finally,the advanced characterization techniques relevant to OICSEs are summarized,and the challenges and perspectives on the future development of OICSEs are also highlighted for constructing superior ASSLBs.
文摘The SiO_(2)'-CaO/(CaO+K_(2)O)(S'CK)diagram is an empirically derived major element-based equivalent to the modal IUGS alkali feldspar-quartz-plagioclase classification scheme for granitoids.It employs the content of SiO_(2)and CaO/(CaO+K_(2)O)ratio to approximate the IUGS classification diagram and a normative-based Q'-ANOR plot.Four trends have been superimposed onto the SiO_(2)'-CaO/(CaO+K_(2)O)diagram based on published datasets from the Peninsular Ranges(calcic:C),Tuolumne(calc-alkalic:CA),Sherman(alkali-calcic:AC),and Bjerkreim-Sokndal(alkalic:A)batholiths,which were employed to constrain the positions of the C-CA,CA-AC and AC-A suite boundaries on the SiO_(2)versus(Na_(2)O+K_(2)O-CaO)(or modified alkali-lime index,MALI)granitic classification diagram.A merit of the SiO_(2)'-CaO/(CaO+K_(2)O)plot is identifying rock types comprising a suite and their relative abundances.The distinguished projections of five typical granitoid assemblages,which are summarized by Bonin et al.(2020),demonstrate the ability of SiO_(2)'-CaO/(CaO+K_(2)O)diagram to decipher their petrogenesis.The SiO_(2)'-CaO/(CaO+K_(2)O)plots for the plutonic suites of'known'tectonic settings can reveal their evolution paths and the lithological statistics.Accordingly,it is suggested that the SiO_(2)'-CaO/(CaO+K_(2)O)plot can distinguish the tectonic environments of plutonic suits by comparing the plutonic suites or batholiths of'unknown'tectonic context to the published datasets from granitoid suites formed within'known'tectonic settings.The modified SiO_(2)'-CaO/(CaO+K_(2)O)diagram links the bulk chemical composition of granitoid suites to the likely source,magmatic evolution,and tectonic setting;thus,it may be a useful tectono-magmatic classification scheme for granitoid suites.
基金supported by the National Natural Science Foundation of China(51762014,52231007,12327804,T2321003,22088101)in part by the National Key Research Program of China under Grant 2021YFA1200600.
文摘Niobates are promising all-climate Li^(+)-storage anode material due to their fast charge transport,large specific capacities,and resistance to electrolyte reaction.However,their moderate unit-cellvolume expansion(generally 5%–10%)during Li^(+)storage causes unsatisfactory long-term cyclability.Here,“zero-strain”NiNb_(2)O_(6) fibers are explored as a new anode material with comprehensively good electrochemical properties.During Li^(+)storage,the expansion of electrochemical inactive NiO_(6) octahedra almost fully offsets the shrinkage of active NbO_(6) octahedra through reversible O movement.Such superior volume-accommodation capability of the NiO_(6) layers guarantees the“zero-strain”behavior of NiNb_(2)O_(6) in a broad temperature range(0.53%//0.51%//0.74%at 25//−10//60℃),leading to the excellent cyclability of the NiNb_(2)O_(6) fibers(92.8%//99.2%//91.1%capacity retention after 1000//2000//1000 cycles at 10C and 25//−10//60℃).This NiNb_(2)O_(6) material further exhibits a large reversible capacity(300//184//318 mAh g−1 at 0.1C and 25//−10//60℃)and outstanding rate performance(10 to 0.5C capacity percentage of 64.3%//50.0%//65.4%at 25//−10//60℃).Therefore,the NiNb_(2)O_(6) fibers are especially suitable for large-capacity,fast-charging,long-life,and all-climate lithium-ion batteries.
基金supported by the National Natural Science Foundation of China(22379157)CAS Project for Young Scientists in Basic Research(YSBR-102)+2 种基金Institute of Coal Chemistry,Chinese Academy of Sciences(SCJC-XCL-2023-13,SCJCXCL-2023-10)Talent Projects for Outstanding Doctoral Students to Work in Shanxi Province(E3SWR4791Z)Fundamental Research Program of Shanxi Province(202403021222485).
文摘This data set collects,compares and contrasts the capacities and structures of a series of hard carbon materials,and then searches for correlations between structure and electrochemical performance.The capacity data of the hard carbons were obtained by charge/discharge tests and the materials were characterized by XRD,gas adsorption,true density tests and SAXS.In particular,the fitting of SAXS gave a series of structural parameters which showed good characterization.The related test details are given with the structural data of the hard carbons and the electrochemical performance of the sodium-ion batteries.
文摘2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(4)H_(2)N)C_(6)H4NC(Ph)=NDipp]-,Dipp=2,6-iPr_(2)C_(6)H_(3))were investigated.The 1H NMR spectroscopy indicate that the reaction of ytrrium dialkyl complex with one equivalent of 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10) produce the mixture of ytrrium alkyl-amido complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))(CH_(2)SiMe3)](R=CH_(3),2a;R=Ph,2b)and bis(amido)complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))_(2)](R=CH_(3),3a;R=Ph,3b).The yttrium bridging imido complex[Y(L)(2-CH_(3)-1-N-o-C_(2)B_(10)H_(10))]_(2)(4a)was obtained by heating the mixture at 55℃for 12 h.Complex 3a was isolated and characterized by treating the yttrium dialkyl complex with two equivalents of 1a.The structures of complexes 3a and 4a were verified by single-crystal Xray diffraction.CCDC:2424136,3a;2424137,4a.
文摘A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713.
基金湖南省教育厅基金优秀青年项目(No.22B0482)湖南科技大学博士启动基金(No.E51992 and E51993)资助。
文摘The xylitol dehydrogenase(XDH)is a crucial enzyme involved in the xylose utilization in pentose⁃catabolizing yeasts and fungi.In addition to producing xylulose,XDH can also be employed to develop a biosensor for monitoring xylitol concentration.In this study,the gene encoding the thermophilic fungus Talaromyces emersonii XDH(TeXDH)was heterologously expressed in Escherichia coli BL21(DE3)at 16℃in the soluble form.Recombinant TeXDH with high purity was purified by using a Ni⁃NTA affinity column.Size⁃exclusion chromatography and SDS⁃PAGE analysis demonstrated that the puri⁃fied recombinant TeXDH exists as a native trimer with a molecular mass of approximately 116 kD,and is composed of three identical subunits,each with a molecular weight of around 39 kD.The TeXDH strictly preferred NAD^(+)as a coenzyme to NADP^(+).The optimal temperature and pH of the TeXDH were 40℃and 10.0,respectively.After EDTA treatment,the enzyme activity of TeXDH decreased to 43.26%of the initial enzyme activity,while the divalent metal ions Mg^(2+)or Ca^(2+)could recover the enzyme activity of TeXDH,reaching 103.32%and 110.69%of the initial enzyme activity,respectively,making them the optimal divalent metal ion cofactors for TeXDH enzyme.However,the divalent metal ions of Mn^(2+),Ni^(2+),Cu^(2+),Zn^(2+),Co^(2+),and Cd^(2+)significantly inhibited the activity of TeXDH.ICP⁃MS and molecular doc⁃king studies revealed that 1 mol/L of TeXDH bound 2 mol/L Zn^(2+)ions and 1 mol/L Mg^(2+)ion.Further⁃more,TeXDH exhibited a high specificity for xylitol,laying the foundation for the development of future xylitol biosensors.
