Configuring single-layer MXene nanosheet onto natural wood fiber via C-Ti-C covalent bonds for high-stability Li-S batteries

Lithium-sulfur batteries(LSBs)are considered promising candidates for next-generation battery technologies owing to their outstanding theoretical energy density and cost-effectiveness.However,the low conductivity and polysulfide shuttling effect of S cathodes severely hamper the practical performance of LSBs.Herein,in situ-generated single layer MXene nanosheet/hierarchical porous carbonized wood fiber(MX/PCWF)composites are prepared via a nonhazardous eutectic activation strategy coupled with pyrolysis-induced gas diffusion.The unique architecture,wherein single layer MXene nanosheets are constructed on carbonized wood fiber walls,ensures rapid polysulfide conversion and continuous electron transfer for redox reactions.The C-Ti-C bonds formed between MXene and PCWF can considerably expedite the conversion of polysulfides,effectively suppressing the shuttle effect.An impressive capacity of 1301.1 m A h g^(-1)at 0.5 C accompanied by remarkable stability is attained with the MX/PCWF host,as evidenced by the capacity maintenance of 722.6 m A h g^(-1)after 500 cycles.Notably,the MX/PCWF/S cathode can still deliver a high capacity of 886.8 m A h g^(-1)at a high S loading of 5.6 mg cm^(-2).The construction of two-dimensional MXenes on natural wood fiber walls offers a competitive edge over S-based cathode materials and demonstrates a novel strategy for developing high-performance batteries.

Design method of extractant for liquid-liquid extraction based on elements and chemical bonds

In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value.

Genetic Analysis of Two Novel GPI Variants Disrupting H Bonds and Localization Characteristics of 55 Gene Variants Associated with Glucose-6-phosphate Isomerase Deficiency

Objective:Glucose-6-phosphate isomerase(GPI)deficiency is a rare hereditary nonspherocytic hemolytic anemia caused by GPI gene variants.This disorder exhibits wide heterogeneity in its clinical manifestations and molecular characteristics,often posing challenges for precise diagnoses using conventional methods.To this end,this study aimed to identify the novel variants responsible for GPI deficiency in a Chinese family.Methods:The clinical manifestations of the patient were summarized and analyzed for GPI deficiency phenotype diagnosis.Novel compound heterozygous variants of the GPI gene,c.174C>A(p.Asn58Lys)and c.1538G>T(p.Trp513Leu),were identified using whole-exome and Sanger sequencing.The AlphaFold program and Chimera software were used to analyze the effects of compound heterozygous variants on GPI structure.Results:By characterizing 53 GPI missense/nonsense variants from previous literature and two novel missense variants identified in this study,we found that most variants were located in exons 3,4,12,and 18,with a few localized in exons 8,9,and 14.This study identified novel compound heterozygous variants associated with GPI deficiency.These pathogenic variants disrupt hydrogen bonds formed by highly conserved GPI amino acids.Conclusion:Early family-based sequencing analyses,especially for patients with congenital anemia,can help increase diagnostic accuracy for GPI deficiency,improve child healthcare,and enable genetic counseling.

Modulating Co-Co bonds average length in Co_(0.85)Se_(1-x)S_(x) to enhance conversion reaction for potassium storage

While alloying transition metal chalcogenides(TMCs)with other chalcogen elements can effectively improve their conductivity and electrochemical properties,the optimal alloying content is still uncertain.In this study,we study the influence of dopant concentration on the chemical bonds in TMC and reveal the associated stepwise conversion reaction mechanism for potassium ion storage.According to density function theory calculations,appropriate S-doping in Co0.85Se(Co_(0.85)Se_(1-x)S_(x))can reduce the average length of Co-Co bonds because of the electronegativity variation,which is thermodynamically favourable to the phase transition reactions.The optimal Se/S ratio(x=0.12)for the conductivity has been obtained from experimental results.When assembled as an anode in potassium-ion batteries(PIBs),the sample with optimized Se/S ratio exhibits extraordinary electrochemical performance.The rate performance(229.2 mA h g^(-1)at 10 A g^(-1))is superior to the state-of-the-art results.When assembled with Prussian blue(PB)as a cathode,the pouch cell exhibits excellent performance,demonstrating its great potential for applications.Moreover,the stepwise K+storage mechanism caused by the coexistence of S and Se is revealed by in-situ X-ray diffraction and ex-situ transmission electron microscopy techniques.Hence,this work not only provides an effective strategy to enhance the electrochemical performance of transition metal chalcogenides but also reveals the underlying mechanism for the construction of advanced electrode materials.

Estimating heat capacities of liquid organic compounds based on elements and chemical bonds contribution

Molecular property depends on the property, the number of the elements, and the interaction between elements(such as chemical bonds). Based on the above-mentioned idea, two methods to estimate the isobaric heat capacity of liquids organic compounds were developed. Ten elements groups and 32 chemical bond groups were defined by considering the structure of organic compounds. The group contribution values and correlation parameters were regressed by the ridge regression method with the experiment data of 1137 compounds. The heat capacity can be calculated by summating the contributions of the elements and chemical bond groups. The two methods were compared with existing group contribution methods, such as Chickos, Zabransky-Ruzicka, and Zdenka Kolska. The results show that those new estimation methods' overall average relative deviations were 5.81% and 5.71%, which were lower than the other three methods. Those methods were more straightforward in compound splitting.Those new methods can be used to estimate the liquid heat capacity of silicon-containing compounds,which the other three methods cannot estimate. The new methods are more accessible, broader, and more accurate. Therefore, this research has important scientific significance and vast application prospects.

Ni-catalyzed carbon–carbon bonds cleavage of mixed polyolefin plastics waste

The inert carbon–carbon(C–C) bonds cleavage is a main bottleneck in the chemical upcycling of recalcitrant polyolefin plastics waste. Here we develop an efficient strategy to catalyze the complete cleavage of C–C bonds in mixed polyolefin plastics over non-noble metal catalysts under mild conditions. The nickelbased catalyst involving Ni_(2)Al_(3) phase enables the direct transformation of mixed polyolefin plastics into natural gas, and the gas carbon yield reaches up to 89.6%. Reaction pathway investigation reveals that natural gas comes from the stepwise catalytic cleavage of C–C bonds in polypropylene, and the catalyst prefers catalytic cleavage of terminal C–C bond in the side-chain with the low energy barrier.Additionally, our developed approach is evaluated by the technical economic analysis for an economically competitive production process.

KVPO_(4)F/carbon nanocomposite with highly accessible active sites and robust chemical bonds for advanced potassium-ion batteries

KVPO_(4)F(KVPF)has been extensively investigated as the potential cathode material for potassium-ion batteries(PIBs)owing to its high theoretical capacity,superior operating voltage,and three-dimensional Kt conduction pathway.Nevertheless,the electrochemical behavior of KVPF is limited by the inherent poor electronic conductivity of the phosphate framework and unstable electrode/electrolyte interface.To address the above issues,this work proposes an infiltration-calcination method to confine the in-situ grown KVPF into the mesoporous carbon CMK-3(denoted KVPF@CMK-3).The assembled KVPF@CMK-3 nanocomposite features three-dimensional interconnected carbon channels,which not only offer abundant active sites and significantly accelerate K t/electron transport,but also prevent the growth of KVPF nanoparticle agglomerates,hence stabilizing the structure of the material.Additionally,V–F–C bonds are created at the interface of KVPF and CMK-3,which reduce the loss of F and stabilize the electrode interface.Thus,when tested as a cathode material for PIBs,the KVPF@CMK-3 nanocomposite delivers superior reversible capacitiy(103.2 mAh g^(-1) at 0.2 C),outstanding rate performance(90.1 mAh g^(-1) at 20 C),and steady cycling performance(92.2 mAh g^(-1) at 10 C and with the retention of 88.2%after 500 cycles).Moreover,its potassium storage mechanism is further examined by ex-situ XRD and ex-situ XPS techniques.The above synthetic strategy demonstrates the potential of KVPF@CMK-3 to be applied as the cathode for PIBs.

基于JK落重和Bond球磨功指数试验的铁矿石碎磨特性及流程模拟计算

弓长岭选厂目前采用传统的“三段一闭路破碎”、“阶段磨矿”的碎磨工艺流程,存在生产工艺流程长且磨矿能耗偏高等问题。因此拟在粗碎后增加(半)自磨作业,降低进入球磨物料的粒度,以期降低磨矿作业能耗,优化碎磨作业工艺流程,提高选厂的作业生产能力,降低磨矿作业生产成本。试验原料铁矿石品位为28.27%,其中铁主要以磁铁矿的形式存在,脉石主要为SiO2,含量为48.61%。以鞍钢弓长岭选厂作业流程中粗碎产品进行JK落重试验,细碎产品进行Bond球磨功指数试验,对矿石的碎磨特性参数进行深入研究。研究结果表明,矿石的冲击破碎模型t10=70.099×(1-exp-0.647×Ecs),其中A为冲击粉碎参数,其值为70.099,b为0.647,A×b为45.354,矿石的抗冲击破碎能力属于中等级别,且随着颗粒粒度的减小而增大;矿石磨蚀系数ta为0.361,抗磨蚀能力为中等级别;矿石的相对密度为3.26。Bond球磨功指数试验获得的功指数Wib=11.7665kWh/t,属于中硬矿石,可以采用(半)自磨工艺。半自磨机设计给矿粒度为F80=160mm,最终产品粒度P80=86μm,JKsimMet软件模拟结果表明,需要2台Φ8.8m×5.1m半自磨机(装机功率7000kW)可满足生产要求。该试验结果对后续选厂工艺流程的优化具有重要意义。

Functional zirconium phosphate nanosheets enabled transfer hydrogenolysis of aromatic ether bonds over a low usage of Ru nanocatalysts

Catalytic hydrogenolysis of aromatic ether bonds is a highly promising strategy for upgrading lignin into small-molecule chemicals,which relies on developing innovative heterogeneous catalysts with high activity.Herein,we designed porous zirconium phosphate nanosheet-supported Ru nanocatalysts(Ru/ZrPsheet)as the heterogeneous catalyst by a process combining ball milling and molten-salt(KNO_(3)).Very interestingly,the fabricated Ru/ZrPsheetshowed good catalytic performance on the transfer hydrogenolysis of various types of aromatic ether bonds contained in lignin,i.e.,4-O-5,a-O-4,β-O-4,and aryl-O-CH3,over a low Ru usage(<0.5 mol%)without using any acidic/basic additive.Detailed investigations indicated that the properties of Ru and the support were indispensable.The excellent activity of Ru/ZZrPsheetoriginated from the strong acidity and basicity of ZrPsheetand the higher electron density of metallic Ru0as well as the nanosheet structure of ZrPsheet.

A Self-Healing and Nonflammable Cross-Linked Network Polymer Electrolyte with the Combination of Hydrogen Bonds and Dynamic Disulfide Bonds for Lithium Metal Batteries

The self-healing solid polymer electrolytes(SHSPEs)can spontaneously eliminate mechanical damages or micro-cracks generated during the assembly or operation of lithium-ion batteries(LIBs),significantly improving cycling performance and extending service life of LIBs.Here,we report a novel cross-linked network SHSPE(PDDP)containing hydrogen bonds and dynamic disulfide bonds with excellent self-healing properties and nonflammability.The combination of hydrogen bonding between urea groups and the metathesis reaction of dynamic disulfide bonds endows PDDP with rapid self-healing capacity at 28°C without external stimulation.Furthermore,the addition of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide(EMIMTFSI)improves the ionic conductivity(1.13×10^(−4)S cm^(−1)at 28°C)and non-flammability of PDDP.The assembled Li/PDDP/LiFePO_(4)cell exhibits excellent cycling performance with a discharge capacity of 137 mA h g^(−1)after 300 cycles at 0.2 C.More importantly,the self-healed PDDP can recover almost the same ionic conductivity and cycling performance as the original PDDP.

Improving the Heat Resistance ofβ-1,4 Glucanase by Introducing Disulfide Bonds

Each possible pair of residues inβ-1,4 glucanase for disulfide formation was assessed using online websites,and four pairs L28C-S256C,Q41C-P278C,S122C-N163C and A184C-A215C were selected.Accordingly,four recombinant plasmids pET28a(+)EccslH28,pET28a(+)EccslH41,pET28a(+)EccslH122 and pET28a(+)EccslH184 were prepared and transformed into E.coli to express the recombinant enzymes.Then analysis on enzymatic properties showed that T50 of the recombinant enzymes was increased from 10 min for EccslHt2 to 90 min for EccslH28 and 40 min for EccslH41 at 70℃,while their optimum pH value and pH stability were not affected,which proved that the introduction of disulfide bond improved the thermal stability ofβ-1,4 glucanase.

Hybrid bonding of GaAs and Si wafers at low temperature by Ar plasma activation

High-quality bonding of 4-inch GaAs and Si is achieved using plasma-activated bonding technology.The influence of Ar plasma activation on surface morphology is discussed.When the annealing temperature is 300℃,the bonding strength reaches a maximum of 6.2 MPa.In addition,a thermal stress model for GaAs/Si wafers is established based on finite element analysis to obtain the distribution of equivalent stress and deformation variables at different temperatures.The shape varia-tion of the wafer is directly proportional to the annealing temperature.At an annealing temperature of 400℃,the maximum protrusion of 4 inches GaAs/Si wafers is 3.6 mm.The interface of GaAs/Si wafers is observed to be dense and defect-free using a transmission electron microscope.The characterization of interface elements by X-ray energy dispersion spectroscopy indi-cates that the elements at the interface undergo mutual diffusion,which is beneficial for improving the bonding strength of the interface.There is an amorphous transition layer with a thickness of about 5 nm at the bonding interface.The preparation of Si-based GaAs heterojunctions can enrich the types of materials required for the development of integrated circuits,improve the performance of materials and devices,and promote the development of microelectronics technology.

Biomass valorization via electrocatalytic carbon–carbon bond cleavage

Renewable electrocatalytic upgrading of biomass feedstocks into valuable chemicals is one of the promising strategies to relieve the pressure of traditional energy-based systems.Through electrocatalytic carbon–carbon bond cleavage of high selectivity,various functionalized molecules,such as organic acids,amides,esters,and nitriles,have great potential to be accessed from biomass.However,it has merely received finite concerns and interests in the biorefinery.This review first showcases the research progress on the electrocatalytic conversion of lipid/sugar-and lignin-derived molecules(e.g.,glycerol,mesoerythritol,xylose,glucose,1-phenylethanol,and cyclohexanol)into organic acids via specific carbon–carbon bond scission processes,with focus on disclosing reaction mechanisms,recognizing actual active species,and collecting feasible modification strategies.For the guidance of further extensive studies on biomass valorization,organic transformations via a variety of reactions,including decarboxylation,ring-opening,rearrangement,reductive hydrogenation,and carboxylation,are also disclosed for the construction of similar carbon skeletons/scaffolds.The remaining challenges,prospective applications,and future objectives in terms of biomass conversion are also proposed.This review is expected to provide references to develop renewed electrocatalytic carbon–carbon bond cleavage transformation paths/strategies for biomass upgrading.

Optimizing extractants selection for efficient separation of phenols and nitrogen-containing heteroaromatics using hydrogen bond interaction strategies

Focusing on the use of imidazolium ionic liquids and quaternary ammonium salts-based deep eutectic solvents for the separation of phenols and nitrogen-containing heteroaromatics,the role of heteroaromatics as specific sites for hydrogen bond-based separation has been investigated.These environmentally friendly solvents are known for their ability to form hydrogen bonds with heteroatoms,a key aspect in separation processes.We quantified the hydrogen bond interaction energy to reach the threshold energy for efficient O-and N-heteroaromatics separation.This article provides an in-depth study of the structural nuances of different hydrogen bonding sites and their affinity properties while conducting a comparative evaluation of the separation efficiency of ionic liquids and deep eutectic solvents from a thermodynamic perspective.Results showed that phenols with dual hydrogen bonding recognition sites were easier to separate than nitrogen-containing heteroaromatics.Imidazolium ionic liquids were more suitable for the extraction of nonbasic nitrogen-containing heteroaromatics,and quaternary ammonium salts-based deep eutectic solvents are more effective for phenols and basic nitrogen-containing heteroaromatics,which was confirmed by Fourier transform infrared spectroscopy and empirical tests.Therefore,this study provides a theoretical basis for the strategy design and selection of extractants for the efficient separation of O-and N-containing aromatic compounds.

3D reconstruction and defect pattern recognition of bonding wire based on stereo vision

Non-destructive detection of wire bonding defects in integrated circuits(IC)is critical for ensuring product quality after packaging.Image-processing-based methods do not provide a detailed evaluation of the three-dimensional defects of the bonding wire.Therefore,a method of 3D reconstruction and pattern recognition of wire defects based on stereo vision,which can achieve non-destructive detection of bonding wire defects is proposed.The contour features of bonding wires and other electronic components in the depth image is analysed to complete the 3D reconstruction of the bonding wires.Especially to filter the noisy point cloud and obtain an accurate point cloud of the bonding wire surface,a point cloud segmentation method based on spatial surface feature detection(SFD)was proposed.SFD can extract more distinct features from the bonding wire surface during the point cloud segmentation process.Furthermore,in the defect detection process,a directional discretisation descriptor with multiple local normal vectors is designed for defect pattern recognition of bonding wires.The descriptor combines local and global features of wire and can describe the spatial variation trends and structural features of wires.The experimental results show that the method can complete the 3D reconstruction and defect pattern recognition of bonding wires,and the average accuracy of defect recognition is 96.47%,which meets the production requirements of bonding wire defect detection.

Effect of Dietary Components on the Shear Bond Strength of Orthodontics Brackets after Thermal Aging

Introduction: The stability of orthodontic brackets throughout orthodontic treatment plays a critical role in the treatment’s effectiveness. The present in vitro study was designed to assess the impact of various dietary components on the performance of orthodontic brackets. Methods: Metal orthodontic brackets were bonded to 66 extracted anterior teeth divided into groups based on the solution type: Milk, Gatorade, Cold Coffee, and a control group using water. Each group consisted of 20 teeth except for the control group, which included six teeth. The bracketed teeth were submerged in their respective solutions for 15 minutes three times daily at different intervals to mimic an in vivo environment and were stored in artificial saliva at room temperature (23?C). The specimens underwent artificial aging through 10,000 cycles of thermocycling (representing one clinical year) between 5?C and 55?C. Shade measurements were taken using a VITA Easy Shade device, capturing the classic shade and L*, a*, and b* values. Delta E values were calculated immediately post-bonding and after 7 days, 1 month, 1, and 2 clinical years. The shear bond strength of each bracket was measured using an ultra-tester machine. Results: After two clinical years, significant differences in ΔE color values were observed across all groups, with the most substantial change noted in teeth immersed in cold coffee. Brackets submerged in milk demonstrated lower shear bond strength than other solutions, whereas the control group exhibited the highest shear bond strength (P = 0.01). Conclusion: The study indicates that dietary components significantly influence tooth color stability and the shear bond strength of orthodontic brackets, underscoring the importance of considering these factors in orthodontic treatment planning.

Mechanical properties and interfacial characteristics of 6061 Al alloy plates fabricated by hot-roll bonding

This work aims to investigate the mechanical properties and interfacial characteristics of 6061 Al alloy plates fabricated by hotroll bonding(HRB)based on friction stir welding.The results showed that ultimate tensile strength and total elongation of the hot-rolled and aged joints increased with the packaging vacuum,and the tensile specimens fractured at the matrix after exceeding 1 Pa.Non-equilibrium grain boundaries were formed at the hot-rolled interface,and a large amount of Mg_(2)Si particles were linearly precipitated along the interfacial grain boundaries(IGBs).During subsequent heat treatment,Mg_(2)Si particles dissolved back into the matrix,and Al_(2)O_(3) film remaining at the interface eventually evolved into MgO.In addition,the local IGBs underwent staged elimination during HRB,which facilitated the interface healing due to the fusion of grains at the interface.This process was achieved by the dissociation,emission,and annihilation of dislocations on the IGBs.

Effect of neutral polymeric bonding agent on tensile mechanical properties and damage evolution of NEPE propellant

Introducing Neutral Polymeric bonding agents(NPBA) into the Nitrate Ester Plasticized Polyether(NEPE)propellant could improve the adhesion between filler/matrix interface, thereby contributing to the development of new generations of the NEPE propellant with better mechanical properties. Therefore,understanding the effects of NPBA on the deformation and damage evolution of the NEPE propellant is fundamental to material design and applications. This paper studies the uniaxial tensile and stress relaxation responses of the NEPE propellant with different amounts of NPBA. The damage evolution in terms of interface debonding is further investigated using a cohesive-zone model(CZM). Experimental results show that the initial modulus and strength of the NEPE propellant increase with the increasing amount of NPBA while the elongation decreases. Meanwhile, the relaxation rate slows down and a higher long-term equilibrium modulus is reached. Experimental and numerical analyses indicate that interface debonding and crack propagation along filler-matrix interface are the dominant damage mechanism for the samples with a low amount of NPBA, while damage localization and crack advancement through the matrix are predominant for the ones with a high amount of NPBA. Finally, crosslinking density tests and simulation results also show that the effect of the bonding agent is interfacial rather than due to the overall crosslinking density change of the binder.

Accelerating Oxygen Electrocatalysis Kinetics on Metal-Organic Frameworks via Bond Length Optimization

Metal-organic frameworks(MOFs)have been developed as an ideal platform for exploration of the relationship between intrinsic structure and catalytic activity,but the limited catalytic activity and stability has hampered their practical use in water splitting.Herein,we develop a bond length adjustment strategy for optimizing naphthalene-based MOFs that synthesized by acid etching Co-naphthalenedicarboxylic acid-based MOFs(donated as AE-CoNDA)to serve as efficient catalyst for water splitting.AE-CoNDA exhibits a low overpotential of 260 mV to reach 10 mA cm^(−2)and a small Tafel slope of 62 mV dec^(−1)with excellent stability over 100 h.After integrated AE-CoNDA onto BiVO_(4),photocurrent density of 4.3 mA cm^(−2)is achieved at 1.23 V.Experimental investigations demonstrate that the stretched Co-O bond length was found to optimize the orbitals hybridization of Co 3d and O 2p,which accounts for the fast kinetics and high activity.Theoretical calculations reveal that the stretched Co-O bond length strengthens the adsorption of oxygen-contained intermediates at the Co active sites for highly efficient water splitting.

High mechanical strength Si anode synthesis with interlayer bonded expanded graphite structure for lithium-ion batteries

Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries,their widespread commercial adoption is still hindered by significant volume expansion during cycling,especially at high active mass loadings crucial for practical use.The root of these challenges lies in the mechanical instability of the material,which subsequently leads to the structural failure of the electrode.Here,we present a novel synthesis of a composite combining expanded graphite and silicon nanoparticles.This composite features a unique interlayer-bonded graphite structure,achieved through the application of a modified spark plasma sintering method.Notably,this innovative structure not only facilitates efficient ion and electron transport but also provides exceptional mechanical strength(Vickers hardness:up to658 MPa,Young's modulus:11.6 GPa).This strength effectively accommodates silicon expansion,resulting in an impressive areal capacity of 2.9 mA h cm^(-2)(736 mA h g^(-1)) and a steady cycle life(93% after 100cycles).Such outsta nding performance is paired with features appropriate for large-scale industrial production of silicon batteries,such as active mass loading of at least 3.9 mg cm^(-2),a high-tap density electrode material of 1.68 g cm^(-3)(secondary clusters:1.12 g cm^(-3)),and a production yield of up to 1 kg per day.