Bimetallic In_(2)O_(3)/Bi_(2)O_(3) Catalysts Enable Highly Selective CO_(2) Electroreduction to Formate within Ultra-Broad Potential Windows

CO_(2)electrochemical reduction reaction(CO_(2)RR)to formate is a hopeful pathway for reducing CO_(2)and producing high-value chemicals,which needs highly selective catalysts with ultra-broad potential windows to meet the industrial demands.Herein,the nanorod-like bimetallic ln_(2)O_(3)/Bi_(2)O_(3)catalysts were successfully synthesized by pyrolysis of bimetallic InBi-MOF precursors.The abundant oxygen vacancies generated from the lattice mismatch of Bi_(2)O_(3)and ln_(2)O_(3)reduced the activation energy of CO_(2)to*CO_(2)·^(-)and improved the selectivity of*CO_(2)·^(-)to formate simultaneously.Meanwhile,the carbon skeleton derived from the pyrolysis of organic framework of InBi-MOF provided a conductive network to accelerate the electrons transmission.The catalyst exhibited an ultra-broad applied potential window of 1200 mV(from-0.4 to-1.6 V vs RHE),relativistic high Faradaic efficiency of formate(99.92%)and satisfactory stability after 30 h.The in situ FT-IR experiment and DFT calculation verified that the abundant oxygen vacancies on the surface of catalysts can easily absorb CO_(2)molecules,and oxygen vacancy path is dominant pathway.This work provides a convenient method to construct high-performance bimetallic catalysts for the industrial application of CO_(2)RR.

Probing the electric double layer structure at nitrogen-doped graphite electrodes by constant-potential molecular dynamics simulations

Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium batteries.However,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very lacking.Herein,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an example.An interface model was developed,incorporating the electrode potential and atom electronegativities.As a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic level.Specifically,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,respectively.Such preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+deposition.This CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.

Krüppel-like factor 2(KLF2),a potential target for neuroregeneration

Neurological disorders and injuries lead to the impairment or depletion of neurons in terms of quantity,structure,or function,resulting in the loss of cognitive,emotional,and physical abilities in human beings.This,in turn,accompanies the shortfall of valuable human resources and economic potential,causing a detriment to society.Addressing these challenges,therefore,becomes imperative not only from a humanitarian perspective but also as a means of preserving human capital and bolstering economic prosperity.

Mitochondria–cGAS–STING axis is a potential therapeutic target for senescence-dependent inflammaging-associated neurodegeneration

The word “senescence” comes from the Latin senescens, meaning “to begin to age”, and is characterized by a long-lasting but reversible block in proliferation, resulting from stress-induced cell cycle arrest of previously replication-competent cells.

Mental disorders after myocardial infarction:potential mediator role for chemokines in heart-brain interaction?

Acute myocardial infarction(MI)remains one of the leading causes of mortality and morbidity in the global communities.A prevailing topic that has attracted increasing attentions over the past few decades is the so-called heart-brain interaction,in particular following a major traumatic event such as MI.Increased prevalence of depression and other mental disorders has been recognized in cardiac patients after MI,coronary catheterization,or cardiothoracic surgeries.In this review,we focus on the potential pathogenic mechanisms and pre-clinical transcriptomic evidence for identifying potential mediators of post-MI depression.We first summarize the conventional mechanistic understanding that leads to the current clinical management of post-MI depression with the use of selective serotonin reuptake inhibitors(SSRIs)and cognitive behavior and exercise therapies.We further envisage a possible role played by certain chemokines,e.g.,Chemokine(C-X-C motif)ligand 12(CXCL12)and Chemokine(C-C motif)ligand 2(CCL22),in serving as signaling molecules to connect the MI-induced heart damage to the pro-depressive changes in brain during the post-MI period.Future in-depth investigations into this chemokine hypothesis will be instrumental in developing new chemokine-targeted therapies for better management of the cardiac patients suffering from post-MI depression.

THE SMOOTHING EFFECT IN SHARP GEVREY SPACE FOR THE SPATIALLY HOMOGENEOUS NON-CUTOFF BOLTZMANN EQUATIONS WITH A HARDPOTENTIAL

In this article, we study the smoothing effect of the Cauchy problem for the spatially homogeneous non-cutoff Boltzmann equation for hard potentials. It has long been suspected that the non-cutoff Boltzmann equation enjoys similar regularity properties as to whose of the fractional heat equation. We prove that any solution with mild regularity will become smooth in Gevrey class at positive time, with a sharp Gevrey index, depending on the angular singularity. Our proof relies on the elementary L^(2) weighted estimates.

Vertical plane depth-resolved surface potential and carrier separation characteristics in flexible CZTSSe solar cells with over 12% efficiency

Cu2ZnSn(S,Se)4(CZTSSe)solar cells have resource distribution and economic advantages.The main cause of their low efficiency is carrier loss resulting from recombination of photo-generated electron and hole.To overcome this,it is important to understand their electron-hole behavior characteristics.To determine the carrier separation characteristics,we measured the surface potential and the local current in terms of the absorber depth.The elemental variation in the intragrains(IGs)and at the grain boundaries(GBs)caused a band edge shift and bandgap(Eg)change.At the absorber surface and subsurface,an upward Ec and Ev band bending structure was observed at the GBs,and the carrier separation was improved.At the absorber center,both upward Ec and Ev and downward Ec-upward Ev band bending structures were observed at the GBs,and the carrier separation was degraded.To improve the carrier separation and suppress carrier recombination,an upward Ec and Ev band bending structure at the GBs is desirable.

Clinical characteristics and analysis of vestibular-evoked myogenic potentials in patients with sudden sensorineural hearing loss in different ages

BACKGROUND Numerous studies have found that patients experiencing sudden sensorineural hearing loss(SSHL),with or without accompanying vertigo,often show impaired vestibular function.However,there is a dearth of studies analyzing vestibularevoked myogenic potentials(VEMPs)in SSHL patients across various age groups.AIM To investigate vestibular condition in SSHL patients across various age demographics.METHODS Clinical data of 84 SSHL patients were investigated retrospectively.Audiometry,cervical vestibular evoked myogenic potentials(c-VEMPs),and ocular vestibular evoked myogenic potentials(o-VEMPs)were conducted on these patients.Parameters assessed included the latencies of P1 and N1 waves,as well as the amplitudes of P1–N1 waves.Moreover,the study evaluated the influence of factors such as sex,affected side,configuration of hearing loss,and presence of accompanying vertigo.RESULTS Among the 84 SSHL patients,no significant differences were observed among the three groups in terms of gender,affected side,and the presence or absence of vertigo.Group II(aged 41–60 years)had the highest number of SSHL cases.The rates of absent o-VEMPs in the affected ears were 20.83%,31.58%,and 22.72%for the three age groups,respectively,with no statistically significant difference among them.The rates of absent c-VEMPs in the affected ears were 8.3%,34.21%,and 18.18%for the three age groups,respectively,with significant differences.In the unaffected ears,there were differences observed in the extraction rates of o-VEMPs in the unaffected ears among the age groups.In the three age groups,no significant differences were noted in the three age groups in the latencies of P1 and N1 waves or in the amplitude of N1–P1 waves for c-VEMPs and o-VEMPs,either on the affected side or on the unaffected side,across the three age groups.CONCLUSION The extraction rate of VEMPs is more valuable than parameters.Regardless of the presence of vertigo,vestibular organs are involved in SSHL.Notably,SSHL patients aged 41–60 appear more susceptible to damage to the inferior vestibular nerve and saccule.

Tetrathiafulvalene esters with high redox potentials and improved solubilities for non-aqueous redox flow battery applications

The exploitation of high performance redox-active substances is critically important for the development of non-aqueous redoxflow batteries.Herein,three tetrathiofulvalene(TTF)derivatives with different substitution groups,namely TTF diethyl ester(TTFDE),TTF tetramethyl ester(TTFTM),and TTF tetraethyl ester(TTFTE),are prepared and their energy storage properties are evaluated.It has been found that the redox potential and solubility of these TTF derivatives in conventional carbonate electrolytes increases with the number of ester groups.The battery with a catholyte of 0.2 mol L^(-1) of TTFTE delivers a specific capacity of more than 10 Ah L^(-1) at the current density of 0.5 C with two discharge voltage platforms locating at as high as 3.85 and 3.60 V vs.Li/Liþ.Its capacity retention can be improved from 2.34 Ah L^(-1) to 3.60 Ah L^(-1) after 100 cycles by the use of an anion exchange membrane to block the crossover of TTF species.The excellent cycling stability of the TIF esters is supported by their well-delocalized electrons,as revealed by the density function theory calculations.Therefore,the introduction of more and larger electron-withdrawing groups is a promising strategy to simultaneously increase the redox-potential and solubility of redox-active ma-terials for non-aqueous redoxflow batteries.

In-Depth Study of Potential-Based Routing and New Exploration of Its Scheduling Integration

Industrial wireless mesh networks(WMNs)have been widely deployed in various industrial sectors,providing services such as manufacturing process monitoring,equipment control,and sensor data collection.A notable characteristic of industrial WMNs is their distinct traffic pattern,where the majority of traffic flows originate from mesh nodes and are directed towards mesh gateways.In this context,this paper adopts and revisits a routing algorithm known as ALFA(autonomous load-balancing field-based anycast routing),tailored specifically for anycast(one-to-one-of-many)networking in WMNs,where traffic flows can be served through any one of multiple gateways.In essence,the scheme is a hybrid-type routing strategy that leverages the advantages of both back-pressure routing and geographic routing.Notably,its novelty lies in being developed by drawing inspiration from another field,specifically from the movement of charges in an electrostatic potential field.Expanding on the previous work,this paper explores further in-depth discussions that were not previously described,including a detailed description of the analogy between an electrostatic system and a WMN system based on precise mapping perspectives derived from intensive analysis,as well as discussions on anycast,numerical methods employed in devising the ALFA scheme,its characteristics,and complexity.It is worth noting that this paper addresses these previously unexplored aspects,representing significant contributions compared to previous works.As a completely new exploration,a new scheduling strategy is proposed that is compatible with the routing approach by utilizing the potential-based metric not only in routing but also in scheduling.This assigns higher medium access priority to links with a larger potential difference.Extensive simulation results demonstrate the superior performance of the proposed potential-based joint routing and scheduling scheme across various aspects within industrial WMN scenarios.

The Anticancer Potential of Quassinoids-A Mini-Review

The anticancer potential of quassinoids has attracted a great deal of attention for decades,and scientific data revealing their possible applications in cancer management are continuously increasing in the literature.Aside from the potent cytotoxic and antitumor properties of these degraded triterpenes,several quassinoids have exhibited synergistic effects with anticancer drugs.This article provides an overview of the potential anticancer properties of quassinoids,including their cytotoxic and antitumor activities,mechanisms of action,safety evaluation,and potential benefits in combination with anticancer drugs.

Failure evolution and disaster prediction of rock under uniaxial compression based on non-extensive statistical analysis of electric potential

Rock failure can cause serious geological disasters,and the non-extensive statistical features of electric potential(EP)are expected to provide valuable information for disaster prediction.In this paper,the uniaxial compression experiments with EP monitoring were carried out on fine sandstone,marble and granite samples under four displacement rates.The Tsallis entropy q value of EPs is used to analyze the selforganization evolution of rock failure.Then the influence of displacement rate and rock type on q value are explored by mineral structure and fracture modes.A self-organized critical prediction method with q value is proposed.The results show that the probability density function(PDF)of EPs follows the q-Gaussian distribution.The displacement rate is positively correlated with q value.With the displacement rate increasing,the fracture mode changes,the damage degree intensifies,and the microcrack network becomes denser.The influence of rock type on q value is related to the burst intensity of energy release and the crack fracture mode.The q value of EPs can be used as an effective prediction index for rock failure like b value of acoustic emission(AE).The results provide useful reference and method for the monitoring and early warning of geological disasters.

Massive Dirac particles based on gapped graphene with Rosen-Morse potential in a uniform magnetic field

We explore the gapped graphene structure in the two-dimensional plane in the presence of the Rosen-Morse potential and an external uniform magnetic field.In order to describe the corresponding structure,we consider the propagation of electrons in graphene as relativistic fermion quasi-particles,and analyze it by the wave functions of two-component spinors with pseudo-spin symmetry using the Dirac equation.Next,to solve and analyze the Dirac equation,we obtain the eigenvalues and eigenvectors using the Legendre differential equation.After that,we obtain the bounded states of energy depending on the coefficients of Rosen-Morse and magnetic potentials in terms of quantum numbers of principal n and spin-orbit k.Then,the values of the energy spectrum for the ground state and the first excited state are calculated,and the wave functions and the corresponding probabilities are plotted in terms of coordinates r.In what follows,we explore the band structure of gapped graphene by the modified dispersion relation and write it in terms of the two-dimensional wave vectors K_(x) and K_(y).Finally,the energy bands are plotted in terms of the wave vectors K_(x) and K_(y) with and without the magnetic term.

Properties of radiation defects and threshold energy of displacement in zirconium hydride obtained by new deep-learning potential

Zirconium hydride(ZrH_(2)) is an ideal neutron moderator material. However, radiation effect significantly changes its properties, which affect its behavior and the lifespan of the reactor. The threshold energy of displacement is an important quantity of the number of radiation defects produced, which helps us to predict the evolution of radiation defects in ZrH_(2).Molecular dynamics(MD) and ab initio molecular dynamics(AIMD) are two main methods of calculating the threshold energy of displacement. The MD simulations with empirical potentials often cannot accurately depict the transitional states that lattice atoms must surpass to reach an interstitial state. Additionally, the AIMD method is unable to perform largescale calculation, which poses a computational challenge beyond the simulation range of density functional theory. Machine learning potentials are renowned for their high accuracy and efficiency, making them an increasingly preferred choice for molecular dynamics simulations. In this work, we develop an accurate potential energy model for the ZrH_(2) system by using the deep-potential(DP) method. The DP model has a high degree of agreement with first-principles calculations for the typical defect energy and mechanical properties of the ZrH_(2) system, including the basic bulk properties, formation energy of point defects, as well as diffusion behavior of hydrogen and zirconium. By integrating the DP model with Ziegler–Biersack–Littmark(ZBL) potential, we can predict the threshold energy of displacement of zirconium and hydrogen in ε-ZrH_(2).

Impaired implicit emotion regulation in patients with panic disorder:An event-related potential study on affect labeling

BACKGROUND Panic disorder(PD)involves emotion dysregulation,but its underlying mechanisms remain poorly understood.Previous research suggests that implicit emotion regulation may play a central role in PD-related emotion dysregulation and symptom maintenance.However,there is a lack of studies exploring the neural mechanisms of implicit emotion regulation in PD using neurophysiological indicators.AIM To study the neural mechanisms of implicit emotion regulation in PD with eventrelated potentials(ERP).METHODS A total of 25 PD patients and 20 healthy controls(HC)underwent clinical evaluations.The study utilized a case-control design with random sampling,selecting participants for the case group from March to December 2018.Participants performed an affect labeling task,using affect labeling as the experimental condition and gender labeling as the control condition.ERP and behavioral data were recorded to compare the late positive potential(LPP)within and between the groups.RESULTS Both PD and HC groups showed longer reaction times and decreased accuracy under the affect labeling.In the HC group,late LPP amplitudes exhibited a dynamic pattern of initial increase followed by decrease.Importantly,a significant group×condition interaction effect was observed.Simple effect analysis revealed a reduction in the differences of late LPP amplitudes between the affect labeling and gender labeling conditions in the PD group compared to the HC group.Furthermore,among PD patients under the affect labeling,the late LPP was negatively correlated with disease severity,symptom frequency,and intensity.CONCLUSION PD patients demonstrate abnormalities in implicit emotion regulation,hampering their ability to mobilize cognitive resources for downregulating negative emotions.The late LPP amplitude in response to affect labeling may serve as a potentially valuable clinical indicator of PD severity.

Potential-dependent insights into the origin of high ammonia yield rate on copper surface via nitrate reduction:A computational and experimental study

Focusing on revealing the origin of high ammonia yield rate on Cu via nitrate reduction(NO3RR),we herein applied constant potential method via grand-canonical density functional theory(GC-DFT)with implicit continuum solvation model to predict the reaction energetics of NO3RR on pure copper surface in alkaline media.The potential-dependent mechanism on the most prevailing Cu(111)and the minor(100)and(110)facets were established,in consideration of NO_(2)_(−),NO,NH_(3),NH_(2)OH,N_(2),and N_(2)O as the main products.The computational results show that the major Cu(111)is the ideal surface to produce ammonia with the highest onset potential at 0.06 V(until−0.37 V)and the highest optimal potential at−0.31 V for ammonia production without kinetic obstacles in activation energies at critical steps.For other minor facets,the secondary Cu(100)shows activity to ammonia from−0.03 to−0.54 V with the ideal potential at−0.50 V,which requires larger overpotential to overcome kinetic activation energy barriers.The least Cu(110)possesses the longest potential range for ammonia yield from−0.27 to−1.12 V due to the higher adsorption coverage of nitrate,but also with higher tendency to generate di-nitrogen species.Experimental evaluations on commercial Cu/C electrocatalyst validated the accuracy of our proposed mechanism.The most influential(111)surface with highest percentage in electrocatalyst determined the trend of ammonia production.In specific,the onset potential of ammonia production at 0.1 V and emergence of yield rate peak at−0.3 V in experiments precisely located in the predicted potentials on Cu(111).Four critical factors for the high ammonia yield and selectivity on Cu surface via NO3RR are summarized,including high NO3RR activity towards ammonia on the dominant Cu(111)facet,more possibilities to produce ammonia along different pathways on each facet,excellent ability for HER inhibition and suitable surface size to suppress di-nitrogen species formation at high nitrate coverage.Overall,our work provides comprehensive potential-dependent insights into the reaction details of NO3RR to ammonia,which can serve as references for the future development of NO3RR electrocatalysts,achieving higher activity and selectivity by maximizing these characteristics of copper-based materials.

Geometries and electronic structures of Zr_(n)Cu(n=2–12) clusters: A joint machine-learning potential density functional theory investigation

Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedral local structures.To determine the microstructures of Zr–Cu clusters, the stable and metastable geometry of Zr_(n)Cu(n=2–12) clusters are screened out via the CALYPSO method using machine-learning potentials, and then the electronic structures are investigated using density functional theory. The results show that the Zr_(n)Cu(n ≥ 3) clusters possess three-dimensional geometries, Zr_(n)Cu(n≥9) possess cage-like geometries, and the Zr_(12)Cu cluster has icosahedral geometry. The binding energy per atom gradually gets enlarged with the increase in the size of the clusters, and Zr_(n)Cu(n=5,7,9,12) have relatively better stability than their neighbors. The magnetic moment of most Zr_(n)Cu clusters is just 1μB, and the main components of the highest occupied molecular orbitals(HOMOs) in the Zr_(12)Cu cluster come from the Zr-d state. There are hardly any localized two-center bonds, and there are about 20 σ-type delocalized three-center bonds.

FPGA Accelerators for Computing Interatomic Potential-Based Molecular Dynamics Simulation for Gold Nanoparticles:Exploring Different Communication Protocols

Molecular Dynamics(MD)simulation for computing Interatomic Potential(IAP)is a very important High-Performance Computing(HPC)application.MD simulation on particles of experimental relevance takes huge computation time,despite using an expensive high-end server.Heterogeneous computing,a combination of the Field Programmable Gate Array(FPGA)and a computer,is proposed as a solution to compute MD simulation efficiently.In such heterogeneous computation,communication between FPGA and Computer is necessary.One such MD simulation,explained in the paper,is the(Artificial Neural Network)ANN-based IAP computation of gold(Au_(147)&Au_(309))nanoparticles.MD simulation calculates the forces between atoms and the total energy of the chemical system.This work proposes the novel design and implementation of an ANN IAP-based MD simulation for Au_(147)&Au_(309) using communication protocols,such as Universal Asynchronous Receiver-Transmitter(UART)and Ethernet,for communication between the FPGA and the host computer.To improve the latency of MD simulation through heterogeneous computing,Universal Asynchronous Receiver-Transmitter(UART)and Ethernet communication protocols were explored to conduct MD simulation of 50,000 cycles.In this study,computation times of 17.54 and 18.70 h were achieved with UART and Ethernet,respectively,compared to the conventional server time of 29 h for Au_(147) nanoparticles.The results pave the way for the development of a Lab-on-a-chip application.

Spatial distribution and potential ecological and health risks associated with heavy metals in the Ijero-Ekiti mining site,Nigeria

Artisanal gold mining,a labor-intensive and antiquated technique,is a growing industry and the source of income for rural communities all over the world.However,artisanal gold mining has potential negative and long-term effects on economy,environment,and society.This study collected soil samples from 16 sample points including a control point to examine the pollution degrees and spatial distribution of heavy metals,as well as ecological and health risks associated with heavy metal pollution in the Ijero-Ekiti mining site,Nigeria.Geographical Information System(GIS)and remote sensing technologies were used to identify regions with high concentrations of heavy metals and assess the environmental impact of gold mining activities.The results show that the mean heavy metal concentrations of 16 soil pointa are 8.94(±5.97)mg/kg for As,0.18(±0.54)mg/kg for Cd,0.11(±1.06)mg/kg for Co,14.32(±3.43)mg/kg for Cr,6.89(±0.64)mg/kg for Cu,48.92(±11.77)mg/kg for Fe,135.81(±30.75)mg/kg for Mn,5.92(±0.96)mg/kg for Ni,5.72(±1.66)mg/kg for Pb,and 13.94(±1.38)mg/kg for Zn.The study reveals that heavy metal concentration in soils follows the order of Mn>Fe>Cr>Zn>As>Cu>Ni>Pb>Co>Cd.An analysis of soil samples indicates that 3 principal components(PCs)account for 70.008%of the total variance and there are strong positive correlations between various pairs of heavy metals.The total potential ecological risk index(309.599)in the study area is high.Non-carcinogenic risk suggests that there may be long-term health impacts on people who work in the mining areas due to chronic exposure to the environment.Based on the study,the hazard index of carcinogenic health risks associated with heavy metals through ingestion is 520.00×10^(–4).Dermal contact from As and Cr also increases the risk of cancer,with the highest hazard index value of 18.40×10^(–4).The lowest exposure pathway,with the hazard index value of 0.68×10^(–4),indicates that the inhalation of heavy metals has a comparatively low risk of cancer.This study recommends the formulation of policies to monitor the Ijero-Ekiti mining site and other regions in Nigeria where indiscriminate artisanal gold mining activities exist.

Global Existence and Decay of Solutions for a Class of a Pseudo-Parabolic Equation with Singular Potential and Logarithmic Nonlocal Source

This article investigates the well posedness and asymptotic behavior of Neumann initial boundary value problems for a class of pseudo-parabolic equations with singular potential and logarithmic nonlinearity. By utilizing cut-off techniques and combining with the Faedo Galerkin approximation method, local solvability was established. Based on the potential well method and Hardy Sobolev inequality, derive the global existence of the solution. In addition, we also obtained the results of decay.