Although previous studies have demonstrated that transcranial focused ultrasound stimulation protects the ischemic brain,clear criteria for the stimulation time window and intensity are lacking.Electrical impedance to...Although previous studies have demonstrated that transcranial focused ultrasound stimulation protects the ischemic brain,clear criteria for the stimulation time window and intensity are lacking.Electrical impedance tomography enables real-time monitoring of changes in cerebral blood perfusion within the ischemic brain,but investigating the feasibility of using this method to assess post-stroke rehabilitation in vivo remains critical.In this study,ischemic stroke was induced in rats through middle cerebral artery occlusion surgery.Transcranial focused ultrasound stimulation was used to treat the rat model of ischemia,and electrical impedance tomography was used to measure impedance during both the acute stage of ischemia and the rehabilitation stage following the stimulation.Electrical impedance tomography results indicated that cerebral impedance increased after the onset of ischemia and decreased following transcranial focused ultrasound stimulation.Furthermore,the stimulation promoted motor function recovery,reduced cerebral infarction volume in the rat model of ischemic stroke,and induced the expression of brain-derived neurotrophic factor in the ischemic brain.Our results also revealed a significant correlation between the impedance of the ischemic brain post-intervention and improvements in behavioral scores and infarct volume.This study shows that daily administration of transcranial focused ultrasound stimulation for 20 minutes to the ischemic hemisphere 24 hours after cerebral ischemia enhanced motor recovery in a rat model of ischemia.Additionally,our findings indicate that electrical impedance tomography can serve as a valuable tool for quantitatively evaluating rehabilitation after ischemic stroke in vivo.These findings suggest the feasibility of using impedance data collected via electrical impedance tomography to clinically assess the effects of rehabilitatory interventions for patients with ischemic stroke.展开更多
Modulations of mitochondrial dysfunction,which involve a series of dynamic processes such as mitochondrial biogenesis,mitochondrial fusion and fission,mitochondrial transport,mitochondrial autophagy,mitochondrial apop...Modulations of mitochondrial dysfunction,which involve a series of dynamic processes such as mitochondrial biogenesis,mitochondrial fusion and fission,mitochondrial transport,mitochondrial autophagy,mitochondrial apoptosis,and oxidative stress,play an important role in the onset and progression of stroke.With a better understanding of the critical role of mitochondrial dysfunction modulations in post-stroke neurological injury,these modulations have emerged as a potential target for stroke prevention and treatment.Additionally,since effective treatments for stroke are extremely limited and natural products currently offer some outstanding advantages,we focused on the findings and mechanisms of action related to the use of natural products for targeting mitochondrial dysfunction in the treatment of stroke.Natural products achieve neuroprotective through multi-target regulation of mitochondrial dysfunction encompassing the following processes:(1)Mitochondrial biogenesis:Cordyceps and hydroxysafflor yellow A activate the peroxisome proliferator-activated receptor gamma coactivator 1-alpha/nuclear respiratory factor pathway,promote mitochondrial DNA replication and respiratory chain protein synthesis,and thereby restore energy supply in the ischemic penumbra.(2)Mitochondrial dynamics balance:Ginsenoside Rb3 promotes Opa1-mediated neural stem cell migration and diffusion for recovery of damaged brain tissue.(3)Mitochondrial autophagy:Gypenoside XVII selectively eliminates damaged mitochondria via the phosphatase and tensin homolog-induced kinase 1/Parkin pathway and blocks reactive oxygen species and the NOD-like receptor protein 3 inflammasome cascade,thereby alleviating blood-brain barrier damage.(4)Anti-apoptotic mechanisms:Ginkgolide K inhibits Bax mitochondrial translocation and downregulates caspase-3/9 activity,reducing neuronal programmed death induced by ischemia-reperfusion.(5)Oxidative stress regulation:Scutellarin exerts antioxidant properties and improves neurological function by modulating the extracellular signal-regulated kinase 5-Kruppel-like factor 2-endothelial nitric oxide synthase signaling pathway.(6)Intercellular mitochondrial transport:Neuroprotective effects of Chrysophanol are associated with accelerated mitochondrial transfer from astrocytes to neurons.Existing studies have confirmed that natural products exhibit neuroprotective effects through multidimensional interventions targeting mitochondrial dysfunction in both ischemic and hemorrhagic stroke models.However,their clinical translation still faces challenges,such as the difficulty in standardization due to component complexity,insufficient cross-regional clinical data,and the lack of long-term safety evaluations.Future research should aim to integrate new technologies,such as single-cell sequencing and organoid models,to deeply explore the mitochondria-targeting mechanisms of natural products and validate their efficacy through multicenter clinical trials,providing theoretical support and translational pathways for the development of novel anti-stroke drugs.展开更多
Abiotic oxygen formation predates photosynthesis,sustaining early chemical evolution,yet its elementary mechanisms remain contested.Here,we show the production pathways for molecular oxygen from doubly ionized carbon ...Abiotic oxygen formation predates photosynthesis,sustaining early chemical evolution,yet its elementary mechanisms remain contested.Here,we show the production pathways for molecular oxygen from doubly ionized carbon dioxide upon electron-impact.Through fragment ions and electron coincidence momentum imaging,we unambiguously determine the ionization mechanism by measuring the projectile energy loss in association with the C^(+) +O_(2)^(+) channel.Further potential energy and trajectory calculations enable us to elucidate the dynamical details of this fragmentation process,in which a bond rearrangement pathway is found to proceed via the structural deformation to a triangular intermediate.Moreover,we demonstrate a further roaming pathway for the formation of O_(2)^(+) from CO_(2)^(+) 2,in which a frustrated C-O bond cleavage leaves the O atom without sufficient energy to escape.The O atom then wanders around varied configuration spaces of the flat potential energy regions and forms a C-O-O_(2)^(+) intermediate prior to the final products C^(+) +O_(2)^(+).Considering the large quantities of free electrons in interstellar space,the processes revealed here are expected to be significant and should be incorporated into atmospheric evolution models.展开更多
Strategically coupling nanoparticle hybrids and internal thermosensitive molecular switches establishes an innovative paradigm for constructing micro/nanoscale-reconfigurable robots,facilitating energyefficient CO_(2)...Strategically coupling nanoparticle hybrids and internal thermosensitive molecular switches establishes an innovative paradigm for constructing micro/nanoscale-reconfigurable robots,facilitating energyefficient CO_(2) management in life-support systems of confined space.Here,a micro/nano-reconfigurable robot is constructed from the CO_(2) molecular hunters,temperature-sensitive molecular switch,solar photothermal conversion,and magnetically-driven function engines.The molecular hunters within the molecular extension state can capture 6.19 mmol g^(−1) of CO_(2) to form carbamic acid and ammonium bicarbonate.Interestingly,the molecular switch of the robot activates a molecular curling state that facilitates CO_(2) release through nano-reconfiguration,which is mediated by the temperature-sensitive curling of Pluronic F127 molecular chains during the photothermal desorption.Nano-reconfiguration of robot alters the amino microenvironment,including increasing surface electrostatic potential of the amino group and decreasing overall lowest unoccupied molecular orbital energy level.This weakened the nucleophilic attack ability of the amino group toward the adsorption product derivatives,thereby inhibiting the side reactions that generate hard-to-decompose urea structures,achieving the lowest regeneration temperature of 55℃ reported to date.The engine of the robot possesses non-contact magnetically-driven micro-reconfiguration capability to achieve efficient photothermal regeneration while avoiding local overheating.Notably,the robot successfully prolonged the survival time of mice in the sealed container by up to 54.61%,effectively addressing the issue of carbon suffocation in confined spaces.This work significantly enhances life-support systems for deep-space exploration,while stimulating innovations in sustainable carbon management technologies for terrestrial extreme environments.展开更多
Numerous sectors,such as education,the IT sector,and corporate organizations,transitioned to virtual meetings after the COVID-19 crisis.Organizations now seek to assess participants’fatigue levels in online meetings ...Numerous sectors,such as education,the IT sector,and corporate organizations,transitioned to virtual meetings after the COVID-19 crisis.Organizations now seek to assess participants’fatigue levels in online meetings to remain competitive.Instructors cannot effectively monitor every individual in a virtual environment,which raises significant concerns about participant fatigue.Our proposed system monitors fatigue,identifying attentive and drowsy individuals throughout the online session.We leverage Dlib’s pre-trained facial landmark detector and focus on the eye landmarks only,offering a more detailed analysis for predicting eye opening and closing of the eyes,rather than focusing on the entire face.We introduce an Eye Polygon Area(EPA)formula,which computes eye activity from Dlib eye landmarks by measuring the polygonal area of the eye opening.Unlike the Eye Aspect Ratio(EAR),which relies on a single distance ratio,EPA adapts to different eye shapes(round,narrow,or wide),providing a more reliable measure for fatigue detection.The VMFD system issues a warning if a participant remains in a fatigued condition for 36 consecutive frames.The proposed technology is tested under multiple scenarios,including low-to high-lighting conditions(50-1400 lux)and both with and without glasses.This study builds an OpenCV application in Python,evaluated using the iBUG 300-W dataset,achieving 97.5%accuracy in detecting active participants.We compare VMFD with conventional methods relying on the EAR and show that the EPA technique performs significantly better.展开更多
Solar-driven interfacial desalination(SID)offers a sustainable route for freshwater production,yet its long-term performance is compromised by salt crystallization and microbial fouling under complex marine conditions...Solar-driven interfacial desalination(SID)offers a sustainable route for freshwater production,yet its long-term performance is compromised by salt crystallization and microbial fouling under complex marine conditions.Zwitterionic polymers offer promising nonfouling capabilities,but current zwitterionic hydrogel-based solar evaporators(HSEs)suffer from inadequate hydration and salt vulnerability.Inspired by the natural marine environmental adaptive characteristics of saltwater fish,we report a superhydrated zwitterionic poly(trimethylamine N-oxide,PTMAO)/polyacrylamide(PAAm)/polypyrrole(PPy)hydrogel(PTAP)with dedicated water channels for efficient,durable,and nonfouling SID.The directly linked N⁺and O⁻groups in PTMAO establish a robust hydration shell that facilitates rapid water transport while resisting salt and microbial adhesion.Integrated PAAm and PPy networks enhance mechanical strength and photothermal conversion.PTAP achieves a high evaporation rate of 2.35 kg m^(−2)h^(−1)under 1 kW m^(–2)in 10 wt%NaCl solution,maintaining stable operation over 100 h without salt accumulation.Furthermore,PTAP effectively resists various foulants including proteins,bacterial,and algal adhesion.Molecular dynamics simulations reveal that the exceptional hydration capacity supports its nonfouling properties.This work advances the development of nonfouling HSEs for sustainable solar desalination in real-world marine environments.展开更多
Naphthalene,anthracene and pyridone endoperoxides are known to thermally release singlet oxygen.However,in the cycloreversion reaction,singlet oxygen is produced stoichiometrically;therefore,multiple singlet oxygen re...Naphthalene,anthracene and pyridone endoperoxides are known to thermally release singlet oxygen.However,in the cycloreversion reaction,singlet oxygen is produced stoichiometrically;therefore,multiple singlet oxygen releasing modules are expected to be very useful in inducing apoptosis of cancer cells.Herein,we present a potential therapeutic agent presenting three-pyridone endoperoxide modules and a mitochondria targeting group.Compared to previously reported pyridone-based monofunctional endoperoxides,the triple endoperoxide is highly effective as evidenced by assays and fluorescence microscopy.展开更多
The single-atom replacement strategy is a typical approach which just converts elements in lead compounds into their analogues with very small chemical changes.In this research,we implemented this strategy to modify t...The single-atom replacement strategy is a typical approach which just converts elements in lead compounds into their analogues with very small chemical changes.In this research,we implemented this strategy to modify the sulfonamide scaffold identified in our previous work,and resulting in the synthesis of 40 novel sulfonamide derivatives not previously reported in the literature.The insecticidal activities of these compounds against the Mythimna separata and Plutella xylostella were assessed.Our findings indicate that the pyridine sulfonamide structure significantly enhances insecticidal efficacy.Specifically,compound 7c exhibited LC 50 values of 0.157 and 0.256 mg/mL against the M.separata and P.xylostella,which significantly increased 97-and 41-fold compared to celangulin V,respectively.The experimental results revealed that pyridine sulfonamide analogues could serve as potential green insecticides.展开更多
Common strong noise interferences like metal splashes,smoke,and arc light during welding can seriously pollute the laser stripe images,causing the tracking model to drift and leading to tracking failure.At present,the...Common strong noise interferences like metal splashes,smoke,and arc light during welding can seriously pollute the laser stripe images,causing the tracking model to drift and leading to tracking failure.At present,there are already many mature methods for identifying and extracting feature points of linear laser stripes.When the laser stripe forms a curved shape on the surface of the workpiece,these linear methods will no longer be applicable.To eliminate interference sources,enhance the robustness of the weld tracking model,and effectively extract the feature points of curved laser stripes under strong noise conditions.This paper proposes a Conditional Generative Adversarial Network(CGAN)based anti-interference recognition method for welding images.The generator adopts an improved U-Net++structure,adds a Multi-scale Channel Attention module(MS-CAM),introduces Deep Supervision,and proposes a Multi-output Fusion strategy(MOFS)in the output result to en-hance the image inpainting effect;the discriminator uses PatchGAN.The center of the laser stripe is obtained using the grayscale center of mass method and then combined with polynomial fitting to extract the feature points of the weld seam.The experimental results show that the PSNR of the inpainting image is 26.24 dB,the SSIM is 0.98,and the LPIPS is 0.032.The centerline of the inpainting image and the centerline of the noise-free image laser stripe are fitted with a curve.The error of centerline feature points is no more than 5%,confirming the superiority and feasibility of the method.展开更多
The study of target proteins is crucial for understanding molecular interactions and developing analytical platforms,therapeutic agents and functional tools.Herein,we present a novel nanoplatform activated by near-inf...The study of target proteins is crucial for understanding molecular interactions and developing analytical platforms,therapeutic agents and functional tools.Herein,we present a novel nanoplatform activated by near-infrared(NIR) light for triple-modal proteins study,which enabling target protein labeling,enrichment and visualization.Azido-naphthalimide-coated upconversion nanoparticles(UCNPs) serve as NIR light-responsive nanoplatforms,showing promising applications in studying interactions between various bioactive molecules and proteins in living systems.Under NIR light irradiation,azido-naphthalimides are activated by ultraviolet(UV) and blue light emitted from UCNPs and the resulting amino-naphthalimides intermediate not only crosslink nearby target proteins but also enable imaging performance.We demonstrate that this nanoplatform is capable of selective protein labeling and imaging in complex protein environments,achieving specific labeling and imaging of both intracellular and extracellular proteins in mammalian cells as well as bacteria.Furthermore,in vivo protein labeling has been achieved using this novel NIR light-activatable nanoplatform.This technique will open new avenues for discoveries and mechanistic interrogation in chemical biology.展开更多
As carrier aircraft sortie frequency and flight deck operational density increase,autonomous dispatch trajectory planning for carrier-based vehicles demands efficient,safe,and kinematically feasible solutions.This pap...As carrier aircraft sortie frequency and flight deck operational density increase,autonomous dispatch trajectory planning for carrier-based vehicles demands efficient,safe,and kinematically feasible solutions.This paper presents an Iterative Safe Dispatch Corridor(iSDC)framework,addressing the suboptimality of the traditional SDC method caused by static corridor construction and redundant obstacle exploration.First,a Kinodynamic-Informed-Bidirectional Rapidly-exploring Random Tree Star(KIBRRT^(*))algorithm is proposed for the front-end coarse planning.By integrating bidirectional tree expansion,goal-biased elliptical sampling,and artificial potential field guidance,it reduces unnecessary exploration near concave obstacles and generates kinematically admissible paths.Secondly,the traditional SDC is implemented in an iterative manner,and the obtained trajectory in the current iteration is fed into the next iteration for corridor generation,thus progressively improving the quality of withincorridor constraints.For tractors,a reverse-motion penalty function is incorporated into the back-end optimizer to prioritize forward driving,aligning with mechanical constraints and human operational preferences.Numerical validations on the data of Gerald R.Ford-class carrier demonstrate that the KIBRRT^(*)reduces average computational time by 75%and expansion nodes by 25%compared to conventional RRT^(*)algorithms.Meanwhile,the iSDC framework yields more time-efficient trajectories for both carrier aircraft and tractors,with the dispatch time reduced by 31.3%and tractor reverse motion proportion decreased by 23.4%relative to traditional SDC.The presented framework offers a scalable solution for autonomous dispatch in confined and safety-critical environment,and an illustrative animation is available at bilibili.com/video/BV1tZ7Zz6Eyz.Moreover,the framework can be easily extended to three-dimension scenarios,and thus applicable for trajectory planning of aerial and underwater vehicles.展开更多
The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of i...The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of its influence on fluid migration are of crucial importance.While previous studies have revealed that salinity changes can modulate fluid migration,the underlying mechanisms remain poorly understood.We employ molecular dynamics simulations to elucidate how salinity variations in ore-forming fluids modulate the adsorption onto calcite nanopore walls,thereby revealing the microscopic mechanisms governing ore fluid transport through calcite nano-fractures.The results show that the adsorption energy Eint of the solution on the calcite surface increased from -14,948.84±182.48 kcal/mol to -12,144.08±118.2 kcal/mol as salinity increased,which is conducive to the long-range transport of the fluid in the calcite nanopore.展开更多
Iterative Learning Control(ILC)provides an effective framework for optimizing repetitive tasks,making it particularly suitable for high-precision applications in both precision manufacturing and intelligent transporta...Iterative Learning Control(ILC)provides an effective framework for optimizing repetitive tasks,making it particularly suitable for high-precision applications in both precision manufacturing and intelligent transportation systems(ITS).This paper presents a systematic review of ILC's developmental progress,current methodologies,and practical implementations across these two critical domains.The review first analyzes the key technical challenges encountered when integrating ILC into precision manufacturing workflows.Through case studies,it evaluates demonstrated improvements in positioning accuracy,surface finish quality,and production throughput.Furthermore,the study examines ILC’s applications in ITS,with particular focus on vehicular motion control applications including autonomous vehicle trajectory tracking,platoon coordination,and traffic signal timing optimization,where its data-driven characteristics enhance adaptability to dynamic environments.Finally,the paper proposes targeted future research directions that are essential for fully realizing ILC’s potential in advancing these interconnected yet distinct fields.展开更多
Industrial waste salts are commonly used to make value-added snow-melting agents to ensure traffic safety in northern China during winter and spring after snowfall.However,heavy metals in industrial waste salts may po...Industrial waste salts are commonly used to make value-added snow-melting agents to ensure traffic safety in northern China during winter and spring after snowfall.However,heavy metals in industrial waste salts may pose certain environmental risks.Snow-melting agents and snow samples were collected and analyzed from highways,arterial roads,footbridges,and other locations in Beijing after the snowstorm in December 2023.It was found that the main component of snow-melting agents was sodium chloride with high concentrations of Cu,Mn,and Zn,which are not regulated in the current policies,despite the recent promotion of environmentally friendly snow-melting agents.The Pb,Zn and Cr contents of some snow samples exceeded the limitation value of surface water quality standards,potentially affecting the soil and water environment near roadsides,although the snow-melting agents comply with relevant standards,which indicates the policy gap in the management of recycled industrial salts.We reviewed and analyzed the relevant standards for snow-melting agents and industrial waste salts proposed nationally and internationally over the past 30 years.Through comparative analysis,we proposed relevant policy recommendations to the existing quality standards of snow-melting agents and the management regulations of industrial waste salts,and the formulation of corresponding usage strategies,aimed at reducing the potential environmental release of heavy metals from the use of snow-melting agents,thereby promoting more sustainable green urban development and environmentally sound waste management.展开更多
Al-Si-Cu-Mg alloy demonstrates a significant age-hardening effect,with its mechanical properties tunable by optimizing the aging parameters.To enhance this effect,the as-cast Al-8.5Si-2Cu-0.9Mg alloy was subjected to ...Al-Si-Cu-Mg alloy demonstrates a significant age-hardening effect,with its mechanical properties tunable by optimizing the aging parameters.To enhance this effect,the as-cast Al-8.5Si-2Cu-0.9Mg alloy was subjected to either single-stage aging at temperatures of 150℃,175℃,200℃,and 225℃for 0.5 h to 20 h;or double-stage aging:involving a first-stage aging treatment at 120℃for 1 h,3 h,5 h,or 7 h,followed by a second-stage aging treatment at 175℃ for 0.5 h to 20 h.The microstructure and mechanical properties were evaluated for samples aged at 175℃/7 h,175℃/10 h,120℃/5 h+175℃/5 h,and 120℃/5 h+175℃/8 h.XRD analysis reveals that the as-cast Al-8.5Si-2Cu-0.9Mg alloy consists of theα-Al,Si,θ-Al_(2)Cu,and Q-Al_(5)Cu_(2)Mg_8Si_6phases.The aging kinetics exhibit a double-peak behavior in both single-stage and double-stage aging processes.Under single-stage aging at 175℃/x h and double-stage aging(120℃/5 h+175℃/x h),the precipitates'size at the first peak is smaller than that at the second peak.Compared with single-stage aging(175℃/7 h),double-stage aging(120℃/5 h+175℃/5 h)produces a finer precipitate in the alloy.Theoretical calculations indicate that the number density and nucleation rate of both the Al_(5)Cu_(2)Mg_8Si_6 and Al_(2)Cu phases are higher during the double-stage aging(120℃/5 h+175℃/5 h)than those during the single-stage aging(175℃/7 h).Additionally,tensile tests at both room temperature and 250℃demonstrate that double-stage aging(120℃/5 h+175℃/5 h)significantly improves the mechanical properties of the alloy compared to single-stage aging(175℃/7 h),suggesting that double-stage aging is more effective for enhancing mechanical properties for this alloy.展开更多
Five novel sulfur-containing benzyl metabolites, designated as gastrabenzylsulfoxides A and B(1 and 2), gastrabenzylsulfinate A(3) and gastrabenzylsulfides A and B(4 and 5), along with four known compounds(6-9), were ...Five novel sulfur-containing benzyl metabolites, designated as gastrabenzylsulfoxides A and B(1 and 2), gastrabenzylsulfinate A(3) and gastrabenzylsulfides A and B(4 and 5), along with four known compounds(6-9), were isolated from the aqueous extracts of Gastrodia elata.Compounds 1 and 4 are 4-hydroxy-3-(4′-hydroxybenzyl)benzyl-substituted sulfoxide and sulfide, respectively, which are unprecedented in natural products. Compound 3 represents a rare sulfinate. Several isolates and their sulfone and disulfide analogs(10-13) were synthesized to evaluate their anti-inflammatory activity. Notably, the synthesized sulfone 10 demonstrated significant alleviation of symptoms in multiple in vivo inflammatory models.展开更多
First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties o...First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties of a wide variety of materials.Among different implementations of DFT,the plane-wave method is widely used for periodic systems because of its high accuracy.However,this method typically requires a large number of basis functions for large systems,leading to high computational costs.Localized basis sets,such as the muffin-tin orbital(MTO)method,have been introduced to provide a more efficient description of electronic structure with a reduced basis set,albeit at the cost of reduced computational accuracy.In this work,we propose an optimization strategy using machine-learning techniques to automate MTO basis-set parameters,thereby improving the accuracy and efficiency of MTO-based calculations.Default MTO parameter settings primarily focus on lattice structure and give less consideration to element-specific differences.In contrast,our optimized parameters incorporate both structural and elemental information.Based on these converged parameters,we successfully recovered missing bands for CrTe_(2).For the other three materials—Si,GaAs,and CrI_(3)—we achieved band improvements of up to 2 e V.Furthermore,the generalization of the machine-learned method is validated by perturbation,strain,and elemental substitution,resulting in improved band structures.Additionally,lattice-constant optimization for Ga As using the converged parameters yields closer agreement with experiment.展开更多
Supported palladium catalysts, which were used in the oxidative esterification of methacrolein to methyl methacrylate, have been prepared with different carriers and Pd precursors. Experimental results revealed that P...Supported palladium catalysts, which were used in the oxidative esterification of methacrolein to methyl methacrylate, have been prepared with different carriers and Pd precursors. Experimental results revealed that Pd catalysts with r-Al2O3 support and Na2PdC14 precursor showed good performance. Pd catalyst modified with Pb and Mg indicated that Pd-Mg bimetallic catalyst exhibited considerably higher activity and Pd-Pb exhibited both higher activity and selectivity. 92.27% methacrolein conversion and 90.57% methyl methacrylate selectivity were obtained on Pd-Pb-Mg catalyst.展开更多
基金supported by the Fundamental Research Funds for the Central Universities,Nos.G2021KY05107,G2021KY05101the National Natural Science Foundation of China,Nos.32071316,32211530049+1 种基金the Natural Science Foundation of Shaanxi Province,No.2022-JM482the Education and Teaching Reform Funds for the Central Universities,No.23GZ230102(all to LL and HH).
文摘Although previous studies have demonstrated that transcranial focused ultrasound stimulation protects the ischemic brain,clear criteria for the stimulation time window and intensity are lacking.Electrical impedance tomography enables real-time monitoring of changes in cerebral blood perfusion within the ischemic brain,but investigating the feasibility of using this method to assess post-stroke rehabilitation in vivo remains critical.In this study,ischemic stroke was induced in rats through middle cerebral artery occlusion surgery.Transcranial focused ultrasound stimulation was used to treat the rat model of ischemia,and electrical impedance tomography was used to measure impedance during both the acute stage of ischemia and the rehabilitation stage following the stimulation.Electrical impedance tomography results indicated that cerebral impedance increased after the onset of ischemia and decreased following transcranial focused ultrasound stimulation.Furthermore,the stimulation promoted motor function recovery,reduced cerebral infarction volume in the rat model of ischemic stroke,and induced the expression of brain-derived neurotrophic factor in the ischemic brain.Our results also revealed a significant correlation between the impedance of the ischemic brain post-intervention and improvements in behavioral scores and infarct volume.This study shows that daily administration of transcranial focused ultrasound stimulation for 20 minutes to the ischemic hemisphere 24 hours after cerebral ischemia enhanced motor recovery in a rat model of ischemia.Additionally,our findings indicate that electrical impedance tomography can serve as a valuable tool for quantitatively evaluating rehabilitation after ischemic stroke in vivo.These findings suggest the feasibility of using impedance data collected via electrical impedance tomography to clinically assess the effects of rehabilitatory interventions for patients with ischemic stroke.
基金supported by the National Natural Science Foundation of China,No.82204663(to TZ)the Natural Science Foundation of Shandong Province,No.ZR2022QH058(to TZ).
文摘Modulations of mitochondrial dysfunction,which involve a series of dynamic processes such as mitochondrial biogenesis,mitochondrial fusion and fission,mitochondrial transport,mitochondrial autophagy,mitochondrial apoptosis,and oxidative stress,play an important role in the onset and progression of stroke.With a better understanding of the critical role of mitochondrial dysfunction modulations in post-stroke neurological injury,these modulations have emerged as a potential target for stroke prevention and treatment.Additionally,since effective treatments for stroke are extremely limited and natural products currently offer some outstanding advantages,we focused on the findings and mechanisms of action related to the use of natural products for targeting mitochondrial dysfunction in the treatment of stroke.Natural products achieve neuroprotective through multi-target regulation of mitochondrial dysfunction encompassing the following processes:(1)Mitochondrial biogenesis:Cordyceps and hydroxysafflor yellow A activate the peroxisome proliferator-activated receptor gamma coactivator 1-alpha/nuclear respiratory factor pathway,promote mitochondrial DNA replication and respiratory chain protein synthesis,and thereby restore energy supply in the ischemic penumbra.(2)Mitochondrial dynamics balance:Ginsenoside Rb3 promotes Opa1-mediated neural stem cell migration and diffusion for recovery of damaged brain tissue.(3)Mitochondrial autophagy:Gypenoside XVII selectively eliminates damaged mitochondria via the phosphatase and tensin homolog-induced kinase 1/Parkin pathway and blocks reactive oxygen species and the NOD-like receptor protein 3 inflammasome cascade,thereby alleviating blood-brain barrier damage.(4)Anti-apoptotic mechanisms:Ginkgolide K inhibits Bax mitochondrial translocation and downregulates caspase-3/9 activity,reducing neuronal programmed death induced by ischemia-reperfusion.(5)Oxidative stress regulation:Scutellarin exerts antioxidant properties and improves neurological function by modulating the extracellular signal-regulated kinase 5-Kruppel-like factor 2-endothelial nitric oxide synthase signaling pathway.(6)Intercellular mitochondrial transport:Neuroprotective effects of Chrysophanol are associated with accelerated mitochondrial transfer from astrocytes to neurons.Existing studies have confirmed that natural products exhibit neuroprotective effects through multidimensional interventions targeting mitochondrial dysfunction in both ischemic and hemorrhagic stroke models.However,their clinical translation still faces challenges,such as the difficulty in standardization due to component complexity,insufficient cross-regional clinical data,and the lack of long-term safety evaluations.Future research should aim to integrate new technologies,such as single-cell sequencing and organoid models,to deeply explore the mitochondria-targeting mechanisms of natural products and validate their efficacy through multicenter clinical trials,providing theoretical support and translational pathways for the development of novel anti-stroke drugs.
基金supported by the National Natural Science Foundation of China (Grant Nos.12325406,92261201,12404305,and W2512072)the Shaanxi Province Natural Science Fundamental Research Project (Grant Nos.2023JC-XJ-03 and23JSQ013)the China Postdoctoral Science Foundation (Grant Nos.BX20240286 and 2024M7625)。
文摘Abiotic oxygen formation predates photosynthesis,sustaining early chemical evolution,yet its elementary mechanisms remain contested.Here,we show the production pathways for molecular oxygen from doubly ionized carbon dioxide upon electron-impact.Through fragment ions and electron coincidence momentum imaging,we unambiguously determine the ionization mechanism by measuring the projectile energy loss in association with the C^(+) +O_(2)^(+) channel.Further potential energy and trajectory calculations enable us to elucidate the dynamical details of this fragmentation process,in which a bond rearrangement pathway is found to proceed via the structural deformation to a triangular intermediate.Moreover,we demonstrate a further roaming pathway for the formation of O_(2)^(+) from CO_(2)^(+) 2,in which a frustrated C-O bond cleavage leaves the O atom without sufficient energy to escape.The O atom then wanders around varied configuration spaces of the flat potential energy regions and forms a C-O-O_(2)^(+) intermediate prior to the final products C^(+) +O_(2)^(+).Considering the large quantities of free electrons in interstellar space,the processes revealed here are expected to be significant and should be incorporated into atmospheric evolution models.
基金supported by the National Natural Science Foundation of China(22168008,22378085)the Guangxi Natural Science Foundation(2024GXNSFDA010053)+1 种基金the Technology Development Project of Guangxi Bossco Environmental Protection Technology Co.,Ltd(202100039)Innovation Project of Guangxi Graduate Education(YCBZ2024065).
文摘Strategically coupling nanoparticle hybrids and internal thermosensitive molecular switches establishes an innovative paradigm for constructing micro/nanoscale-reconfigurable robots,facilitating energyefficient CO_(2) management in life-support systems of confined space.Here,a micro/nano-reconfigurable robot is constructed from the CO_(2) molecular hunters,temperature-sensitive molecular switch,solar photothermal conversion,and magnetically-driven function engines.The molecular hunters within the molecular extension state can capture 6.19 mmol g^(−1) of CO_(2) to form carbamic acid and ammonium bicarbonate.Interestingly,the molecular switch of the robot activates a molecular curling state that facilitates CO_(2) release through nano-reconfiguration,which is mediated by the temperature-sensitive curling of Pluronic F127 molecular chains during the photothermal desorption.Nano-reconfiguration of robot alters the amino microenvironment,including increasing surface electrostatic potential of the amino group and decreasing overall lowest unoccupied molecular orbital energy level.This weakened the nucleophilic attack ability of the amino group toward the adsorption product derivatives,thereby inhibiting the side reactions that generate hard-to-decompose urea structures,achieving the lowest regeneration temperature of 55℃ reported to date.The engine of the robot possesses non-contact magnetically-driven micro-reconfiguration capability to achieve efficient photothermal regeneration while avoiding local overheating.Notably,the robot successfully prolonged the survival time of mice in the sealed container by up to 54.61%,effectively addressing the issue of carbon suffocation in confined spaces.This work significantly enhances life-support systems for deep-space exploration,while stimulating innovations in sustainable carbon management technologies for terrestrial extreme environments.
文摘Numerous sectors,such as education,the IT sector,and corporate organizations,transitioned to virtual meetings after the COVID-19 crisis.Organizations now seek to assess participants’fatigue levels in online meetings to remain competitive.Instructors cannot effectively monitor every individual in a virtual environment,which raises significant concerns about participant fatigue.Our proposed system monitors fatigue,identifying attentive and drowsy individuals throughout the online session.We leverage Dlib’s pre-trained facial landmark detector and focus on the eye landmarks only,offering a more detailed analysis for predicting eye opening and closing of the eyes,rather than focusing on the entire face.We introduce an Eye Polygon Area(EPA)formula,which computes eye activity from Dlib eye landmarks by measuring the polygonal area of the eye opening.Unlike the Eye Aspect Ratio(EAR),which relies on a single distance ratio,EPA adapts to different eye shapes(round,narrow,or wide),providing a more reliable measure for fatigue detection.The VMFD system issues a warning if a participant remains in a fatigued condition for 36 consecutive frames.The proposed technology is tested under multiple scenarios,including low-to high-lighting conditions(50-1400 lux)and both with and without glasses.This study builds an OpenCV application in Python,evaluated using the iBUG 300-W dataset,achieving 97.5%accuracy in detecting active participants.We compare VMFD with conventional methods relying on the EAR and show that the EPA technique performs significantly better.
基金supported by National Natural Science Foundation of China(22209036,U23A20119)Hebei Provincial Natural Science Foundation,Excellent Youth Project(E2023202069)+1 种基金National Key R&D Program of China(2024YFF0506000,2024YFB4609100)Fundamental Research Foundation from Hebei University of Technology(424132016,282021485).
文摘Solar-driven interfacial desalination(SID)offers a sustainable route for freshwater production,yet its long-term performance is compromised by salt crystallization and microbial fouling under complex marine conditions.Zwitterionic polymers offer promising nonfouling capabilities,but current zwitterionic hydrogel-based solar evaporators(HSEs)suffer from inadequate hydration and salt vulnerability.Inspired by the natural marine environmental adaptive characteristics of saltwater fish,we report a superhydrated zwitterionic poly(trimethylamine N-oxide,PTMAO)/polyacrylamide(PAAm)/polypyrrole(PPy)hydrogel(PTAP)with dedicated water channels for efficient,durable,and nonfouling SID.The directly linked N⁺and O⁻groups in PTMAO establish a robust hydration shell that facilitates rapid water transport while resisting salt and microbial adhesion.Integrated PAAm and PPy networks enhance mechanical strength and photothermal conversion.PTAP achieves a high evaporation rate of 2.35 kg m^(−2)h^(−1)under 1 kW m^(–2)in 10 wt%NaCl solution,maintaining stable operation over 100 h without salt accumulation.Furthermore,PTAP effectively resists various foulants including proteins,bacterial,and algal adhesion.Molecular dynamics simulations reveal that the exceptional hydration capacity supports its nonfouling properties.This work advances the development of nonfouling HSEs for sustainable solar desalination in real-world marine environments.
基金supported by the National Natural Science Foundation of China(22007008,22178048).
文摘Naphthalene,anthracene and pyridone endoperoxides are known to thermally release singlet oxygen.However,in the cycloreversion reaction,singlet oxygen is produced stoichiometrically;therefore,multiple singlet oxygen releasing modules are expected to be very useful in inducing apoptosis of cancer cells.Herein,we present a potential therapeutic agent presenting three-pyridone endoperoxide modules and a mitochondria targeting group.Compared to previously reported pyridone-based monofunctional endoperoxides,the triple endoperoxide is highly effective as evidenced by assays and fluorescence microscopy.
基金supported by the National Natural Science Foundation of China[Grant No.21977083].
文摘The single-atom replacement strategy is a typical approach which just converts elements in lead compounds into their analogues with very small chemical changes.In this research,we implemented this strategy to modify the sulfonamide scaffold identified in our previous work,and resulting in the synthesis of 40 novel sulfonamide derivatives not previously reported in the literature.The insecticidal activities of these compounds against the Mythimna separata and Plutella xylostella were assessed.Our findings indicate that the pyridine sulfonamide structure significantly enhances insecticidal efficacy.Specifically,compound 7c exhibited LC 50 values of 0.157 and 0.256 mg/mL against the M.separata and P.xylostella,which significantly increased 97-and 41-fold compared to celangulin V,respectively.The experimental results revealed that pyridine sulfonamide analogues could serve as potential green insecticides.
基金Supported by the"The 14th Five Year Plan"Hubei Provincial ad-vantaged characteristic disciplines(groups)project of Wuhan University of Science and Technology(Grant No.2023B0404)National Natural Science Foundation of China(Grant Nos.52275503 and 72471181)+2 种基金Hubei Provincial Outstanding Youth Fund of China(Grant No.2023AFA092)Hubei Provincial Natural Science Foundation of China(Grant No.2023AFB915)Hubei Provincial Key Research and Development Plan Project of China(Grant No.2023BAB048).
文摘Common strong noise interferences like metal splashes,smoke,and arc light during welding can seriously pollute the laser stripe images,causing the tracking model to drift and leading to tracking failure.At present,there are already many mature methods for identifying and extracting feature points of linear laser stripes.When the laser stripe forms a curved shape on the surface of the workpiece,these linear methods will no longer be applicable.To eliminate interference sources,enhance the robustness of the weld tracking model,and effectively extract the feature points of curved laser stripes under strong noise conditions.This paper proposes a Conditional Generative Adversarial Network(CGAN)based anti-interference recognition method for welding images.The generator adopts an improved U-Net++structure,adds a Multi-scale Channel Attention module(MS-CAM),introduces Deep Supervision,and proposes a Multi-output Fusion strategy(MOFS)in the output result to en-hance the image inpainting effect;the discriminator uses PatchGAN.The center of the laser stripe is obtained using the grayscale center of mass method and then combined with polynomial fitting to extract the feature points of the weld seam.The experimental results show that the PSNR of the inpainting image is 26.24 dB,the SSIM is 0.98,and the LPIPS is 0.032.The centerline of the inpainting image and the centerline of the noise-free image laser stripe are fitted with a curve.The error of centerline feature points is no more than 5%,confirming the superiority and feasibility of the method.
基金supported by the National Natural Science Foundation of China (No.22007008)the LiaoNing Revitalization Talents Program (No.XLYC1907021)the Fundamental Research Funds for the Central Universities (Nos.DUT23YG120,DUT19RC(3)009)。
文摘The study of target proteins is crucial for understanding molecular interactions and developing analytical platforms,therapeutic agents and functional tools.Herein,we present a novel nanoplatform activated by near-infrared(NIR) light for triple-modal proteins study,which enabling target protein labeling,enrichment and visualization.Azido-naphthalimide-coated upconversion nanoparticles(UCNPs) serve as NIR light-responsive nanoplatforms,showing promising applications in studying interactions between various bioactive molecules and proteins in living systems.Under NIR light irradiation,azido-naphthalimides are activated by ultraviolet(UV) and blue light emitted from UCNPs and the resulting amino-naphthalimides intermediate not only crosslink nearby target proteins but also enable imaging performance.We demonstrate that this nanoplatform is capable of selective protein labeling and imaging in complex protein environments,achieving specific labeling and imaging of both intracellular and extracellular proteins in mammalian cells as well as bacteria.Furthermore,in vivo protein labeling has been achieved using this novel NIR light-activatable nanoplatform.This technique will open new avenues for discoveries and mechanistic interrogation in chemical biology.
基金support of the National Key Research and Development Plan(Grant No.2021YFB3302501)the financial support of the National Science Foundation of China(Grant No.12161076)the financial support of the Fundamental Research Funds for the Central Universities(Grant No.DUT24LAB129).
文摘As carrier aircraft sortie frequency and flight deck operational density increase,autonomous dispatch trajectory planning for carrier-based vehicles demands efficient,safe,and kinematically feasible solutions.This paper presents an Iterative Safe Dispatch Corridor(iSDC)framework,addressing the suboptimality of the traditional SDC method caused by static corridor construction and redundant obstacle exploration.First,a Kinodynamic-Informed-Bidirectional Rapidly-exploring Random Tree Star(KIBRRT^(*))algorithm is proposed for the front-end coarse planning.By integrating bidirectional tree expansion,goal-biased elliptical sampling,and artificial potential field guidance,it reduces unnecessary exploration near concave obstacles and generates kinematically admissible paths.Secondly,the traditional SDC is implemented in an iterative manner,and the obtained trajectory in the current iteration is fed into the next iteration for corridor generation,thus progressively improving the quality of withincorridor constraints.For tractors,a reverse-motion penalty function is incorporated into the back-end optimizer to prioritize forward driving,aligning with mechanical constraints and human operational preferences.Numerical validations on the data of Gerald R.Ford-class carrier demonstrate that the KIBRRT^(*)reduces average computational time by 75%and expansion nodes by 25%compared to conventional RRT^(*)algorithms.Meanwhile,the iSDC framework yields more time-efficient trajectories for both carrier aircraft and tractors,with the dispatch time reduced by 31.3%and tractor reverse motion proportion decreased by 23.4%relative to traditional SDC.The presented framework offers a scalable solution for autonomous dispatch in confined and safety-critical environment,and an illustrative animation is available at bilibili.com/video/BV1tZ7Zz6Eyz.Moreover,the framework can be easily extended to three-dimension scenarios,and thus applicable for trajectory planning of aerial and underwater vehicles.
基金financed jointly by the National Major Science and Technology Special Project on Deep Earth Exploration(2024ZD1001701-5)the National Natural Science Foundation of China(42472127,42172086)+2 种基金the Yunnan Major Project of Basic Research(202401BN070001-002)Yunnan Mineral Resources Prediction and Evaluation Engineering Research Center(2011)Innovation Team Program of Kunming University of Science and Technology,Yunnan Province。
文摘The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of its influence on fluid migration are of crucial importance.While previous studies have revealed that salinity changes can modulate fluid migration,the underlying mechanisms remain poorly understood.We employ molecular dynamics simulations to elucidate how salinity variations in ore-forming fluids modulate the adsorption onto calcite nanopore walls,thereby revealing the microscopic mechanisms governing ore fluid transport through calcite nano-fractures.The results show that the adsorption energy Eint of the solution on the calcite surface increased from -14,948.84±182.48 kcal/mol to -12,144.08±118.2 kcal/mol as salinity increased,which is conducive to the long-range transport of the fluid in the calcite nanopore.
基金funded by the Wuxi Young Scientific and Technological Talent Support Initiative,project number:TJXD-2024-203the Natural Science Foundation of the Jiangsu Higher Education Institutions of China,grant number:24KJB470027.
文摘Iterative Learning Control(ILC)provides an effective framework for optimizing repetitive tasks,making it particularly suitable for high-precision applications in both precision manufacturing and intelligent transportation systems(ITS).This paper presents a systematic review of ILC's developmental progress,current methodologies,and practical implementations across these two critical domains.The review first analyzes the key technical challenges encountered when integrating ILC into precision manufacturing workflows.Through case studies,it evaluates demonstrated improvements in positioning accuracy,surface finish quality,and production throughput.Furthermore,the study examines ILC’s applications in ITS,with particular focus on vehicular motion control applications including autonomous vehicle trajectory tracking,platoon coordination,and traffic signal timing optimization,where its data-driven characteristics enhance adaptability to dynamic environments.Finally,the paper proposes targeted future research directions that are essential for fully realizing ILC’s potential in advancing these interconnected yet distinct fields.
基金supported by the National Natural Science Foundation of China(No.22176200)the Industrial Innovation Entrepreneurial Team Project of Ordos 2021.
文摘Industrial waste salts are commonly used to make value-added snow-melting agents to ensure traffic safety in northern China during winter and spring after snowfall.However,heavy metals in industrial waste salts may pose certain environmental risks.Snow-melting agents and snow samples were collected and analyzed from highways,arterial roads,footbridges,and other locations in Beijing after the snowstorm in December 2023.It was found that the main component of snow-melting agents was sodium chloride with high concentrations of Cu,Mn,and Zn,which are not regulated in the current policies,despite the recent promotion of environmentally friendly snow-melting agents.The Pb,Zn and Cr contents of some snow samples exceeded the limitation value of surface water quality standards,potentially affecting the soil and water environment near roadsides,although the snow-melting agents comply with relevant standards,which indicates the policy gap in the management of recycled industrial salts.We reviewed and analyzed the relevant standards for snow-melting agents and industrial waste salts proposed nationally and internationally over the past 30 years.Through comparative analysis,we proposed relevant policy recommendations to the existing quality standards of snow-melting agents and the management regulations of industrial waste salts,and the formulation of corresponding usage strategies,aimed at reducing the potential environmental release of heavy metals from the use of snow-melting agents,thereby promoting more sustainable green urban development and environmentally sound waste management.
基金supported by the Key R&D Projects in Heilongjiang Province(GA23A901)。
文摘Al-Si-Cu-Mg alloy demonstrates a significant age-hardening effect,with its mechanical properties tunable by optimizing the aging parameters.To enhance this effect,the as-cast Al-8.5Si-2Cu-0.9Mg alloy was subjected to either single-stage aging at temperatures of 150℃,175℃,200℃,and 225℃for 0.5 h to 20 h;or double-stage aging:involving a first-stage aging treatment at 120℃for 1 h,3 h,5 h,or 7 h,followed by a second-stage aging treatment at 175℃ for 0.5 h to 20 h.The microstructure and mechanical properties were evaluated for samples aged at 175℃/7 h,175℃/10 h,120℃/5 h+175℃/5 h,and 120℃/5 h+175℃/8 h.XRD analysis reveals that the as-cast Al-8.5Si-2Cu-0.9Mg alloy consists of theα-Al,Si,θ-Al_(2)Cu,and Q-Al_(5)Cu_(2)Mg_8Si_6phases.The aging kinetics exhibit a double-peak behavior in both single-stage and double-stage aging processes.Under single-stage aging at 175℃/x h and double-stage aging(120℃/5 h+175℃/x h),the precipitates'size at the first peak is smaller than that at the second peak.Compared with single-stage aging(175℃/7 h),double-stage aging(120℃/5 h+175℃/5 h)produces a finer precipitate in the alloy.Theoretical calculations indicate that the number density and nucleation rate of both the Al_(5)Cu_(2)Mg_8Si_6 and Al_(2)Cu phases are higher during the double-stage aging(120℃/5 h+175℃/5 h)than those during the single-stage aging(175℃/7 h).Additionally,tensile tests at both room temperature and 250℃demonstrate that double-stage aging(120℃/5 h+175℃/5 h)significantly improves the mechanical properties of the alloy compared to single-stage aging(175℃/7 h),suggesting that double-stage aging is more effective for enhancing mechanical properties for this alloy.
基金supported by the National Natural Science Foundation of China (No. 82293680)the National Science and CAMS Innovation Fund for Medical Science (No. 2021-I2M-1-028)the Nonprofit Central Research Institute Fund of Chinese Academy of Medical Sciences (No. 2021-RC350-009)。
文摘Five novel sulfur-containing benzyl metabolites, designated as gastrabenzylsulfoxides A and B(1 and 2), gastrabenzylsulfinate A(3) and gastrabenzylsulfides A and B(4 and 5), along with four known compounds(6-9), were isolated from the aqueous extracts of Gastrodia elata.Compounds 1 and 4 are 4-hydroxy-3-(4′-hydroxybenzyl)benzyl-substituted sulfoxide and sulfide, respectively, which are unprecedented in natural products. Compound 3 represents a rare sulfinate. Several isolates and their sulfone and disulfide analogs(10-13) were synthesized to evaluate their anti-inflammatory activity. Notably, the synthesized sulfone 10 demonstrated significant alleviation of symptoms in multiple in vivo inflammatory models.
基金supported by the National Key Research and Development Program of China(Grant Nos.2023YFA1406600 and 2021YFA1202200)。
文摘First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties of a wide variety of materials.Among different implementations of DFT,the plane-wave method is widely used for periodic systems because of its high accuracy.However,this method typically requires a large number of basis functions for large systems,leading to high computational costs.Localized basis sets,such as the muffin-tin orbital(MTO)method,have been introduced to provide a more efficient description of electronic structure with a reduced basis set,albeit at the cost of reduced computational accuracy.In this work,we propose an optimization strategy using machine-learning techniques to automate MTO basis-set parameters,thereby improving the accuracy and efficiency of MTO-based calculations.Default MTO parameter settings primarily focus on lattice structure and give less consideration to element-specific differences.In contrast,our optimized parameters incorporate both structural and elemental information.Based on these converged parameters,we successfully recovered missing bands for CrTe_(2).For the other three materials—Si,GaAs,and CrI_(3)—we achieved band improvements of up to 2 e V.Furthermore,the generalization of the machine-learned method is validated by perturbation,strain,and elemental substitution,resulting in improved band structures.Additionally,lattice-constant optimization for Ga As using the converged parameters yields closer agreement with experiment.
基金Financial supported by the National Natural Science Foundation of China （No.20436050）Foundation of Graduate University of the Chinese Academy of Sciences.
文摘Supported palladium catalysts, which were used in the oxidative esterification of methacrolein to methyl methacrylate, have been prepared with different carriers and Pd precursors. Experimental results revealed that Pd catalysts with r-Al2O3 support and Na2PdC14 precursor showed good performance. Pd catalyst modified with Pb and Mg indicated that Pd-Mg bimetallic catalyst exhibited considerably higher activity and Pd-Pb exhibited both higher activity and selectivity. 92.27% methacrolein conversion and 90.57% methyl methacrylate selectivity were obtained on Pd-Pb-Mg catalyst.
