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关键词： Electroacupuncture   Exosomes   Intestinal barrier   MAFLD   miR-217-5p   α7nAChR  

摘要： The aim of this study was to identify how electroacupuncture (EA) maintains intestinal barrier integrity in metabolic dysfunction-associated fatty liver disease (MAFLD) and related to a macrophage α7 nicotinic acetylcholine receptor (α7nAChR)-linked exosomal miR-217-5p/epithelial HO-1 signaling.

关键词： PET upcycling   Piezo-photocatalytic reforming   Defect engineering   Sustainable chemistry   Reaction pathway  

摘要： Piezo-photocatalytic upcycling of plastic waste into added-value hydrocarbon fuel leverages mechanical and solar energy to reintegrate end-of-life plastics into the carbon cycle. This work reports a process that converts PET-derived ethylene glycol (EG) into syngas under ambient conditions using defect-engineered Ba_xSr_1−xTiO_3−y (BSTO) catalysts. A three-stage process produces graded oxygen-vacancy and Ti^3 + surface concentrations. Combination with optimized band structure yields catalysts of strong piezo-photo responses. Photoelectrochemical measurements confirm accelerated light-induced charge separation and transfer, while Kelvin probe force microscopy and DFT simulations corroborate defect-amplified piezoelectric polarization. Using this catalyst, EG solutions derived from PET microplastics and textile fibers demonstrate selective syngas compositions, confirming applicability to real-world PET waste. Mechanistic studies show that piezo-photo-reforming of EG achieves respective H₂ and CO evolution rates of 1062 and 646 μmol/g/h, > 90% syngas selectivity, and an H₂/CO ratio (∼1.6), representing nearly a 20-fold increase in gas yield over photocatalysis alone. Control experiments demonstrate that catalyst composition and activation govern both catalytic activity and syngas ratio tunability. In situ ATR-FTIR identifies surface formate as a key intermediate, while ¹H NMR detects glycolic acid/glycolate in the liquid phase. DFT calculations indicate that lattice-oxygen-assisted C–C bond cleavage is significantly promoted within the reaction pathways.

关键词： Determinant   Permanent   1 matrix  

摘要： We establish a superpolynomial lower bound on the range of the permanent function on the set of $n\times n$ matrices with ±1 entries.

关键词： Corn straw   Deep eutectic solvent   Hydrogen production   Pretreatment  

摘要： Pretreatment, as an upstream technology in biomass-based hydrogen production, determines the downstream process's production efficiency. To solve the problem of a high cellulose loss rate under acidic pretreatment conditions, an alkaline deep eutectic solvent (DES) with choline hydroxide solution ([Ch][OH]) and 1,3-propanediol solution (PDO) was synthesized and used for corn straw-derived hydrogen generation. The optimal pretreatment parameters were as follows: a mass-to-volume ratio of corn straw to DES of 1:47.1 (g:mL), a reaction temperature of 108.8 °C, and a reaction duration of 75.5 min. Within the corn straw lignocellulosic substrate, a portion of the β–O–4 bonds in lignin, some of the ester bonds in lignin-carbohydrate complexes, 45.13% of the hydrogen bonds connecting cellulose and lignin, and 26.31% hydrogen bonds connecting cellulose and hemicellulose were disrupted. Consequently, 78.52% of the lignin and 72.92% of the hemicellulose were eliminated. These structural alterations substantially enhanced the saccharification rate and hydrogen production yield of corn straw by 335.16% and 498.2%, respectively. The DES pretreatment method and the DES recycling strategy put forward in this study hold substantial positive implications for facilitating the application and promotion of DES in the fields of biological hydrogen production and biomass pretreatment.

关键词： Energetic material   High-energy   Ionic conductivity   DAP-1  

摘要：

• •
  First use of molecular perovskite DAP-1 as dual core for energy & conductivity, solving energetic-conductive contradiction.
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  D-CE achieves 3.47 × 10⁻⁴ to 1.55 × 10⁻³ S·cm⁻¹ & 3774-5403 J·g⁻¹, >250°C stable, overcoming low energy density.
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  DFT shows DAP-1 forms Na⁺ vacancies, providing low-energy sites/channels for ion migration, enabling high-energy & conductivity.
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  Add LiClO₄ for O balance; use [emim][ClO₄] to cut viscosity & optimize ion paths, building 3D ion network—full breakthrough.
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  Novel conductive energetic material fills intelligent gap: smart munitions, chip self-destruct, electric propulsion.

关键词： 05.50. +q   05.70.Fh   64.60.Ht   75.10.Hk   Dynamic mean-field theory   Glauber-type stochastic dynamics   Nonequilibrium phase diagrams   PACS number(s)  

摘要： The dynamic critical magnetic properties of the Ising model for the spins-(1,2,1) sandwiched trilayer structure are studied by using the dynamic mean-field theory based on the Glauber-type stochastic dynamics as the theoretical framework. The dynamic equations describing the time-dependencies of system are derived from Master equation and Glauber transition rates. The phases of the system are determined by analyzing the time-dependent average magnetizations. The nature first- and second-orders of the transitions is characterized by studying the thermal behavior of the dynamic magnetizations. The dynamic phase diagrams are calculated on different planes and they exhibit several ordered phases, coexistence phase regions and dynamic critical points as well as a re-entrant behavior depending on the interaction parameters. Our results may provide invaluable information for experimental and theoretical research on kinetic systems.

关键词： ADMET lab3.0   Antibacterial   Antifungal   Bis-oxadiazole   Docking study   Indazole  

摘要： It is crucial to create novel medicines with diverse chemical structures and multitarget modes of action due to the rapid growth of multidrug and extremely drug-resistant strains of bacteria and fungi. First, the desired compounds were synthesized according to appropriate chemical methods and structurally confirmed with HRMS, ¹HNMR and ¹³CNMR spectroscopies. In the current investigation, we have designed and synthesized twelve novel heterocyclic ring-substituted 1,2,4-oxadiazoles with 1,3,4-oxadiazole hybrids (7a-l) to be tested against the antimicrobial and antifungal activity. With minimum inhibitory concentrations (MIC) ranging from 11.26 ± 0.19 to 42.58 ± 0.55 μM, compounds 7b, 7d, 7e, and 7j demonstrated moderate efficacy against bacteria. Compounds 7c, 7f, 7h, and 7i display an MIC value of 4.02 ± 0.38, 8.34 ± 0.37, 2.62 ± 1.05, and 4.65 ± 0.92 μM, suggesting significant antimicrobial potential and warranting further exploration as effective antibacterial agents. The findings of the present study are highly promising and suggest that the most active compounds, 7c, 7d, and 7i, have demonstrated significant antifungal activity with excellent physicochemical features. The molecular docking analysis shows that these compounds can successfully bind to the active site of the most promising proteins for treating bacteria (PDB: 3HUM) and fungi (PDB:

来源 ScienceCitationIndex... ScienceDirectJournal 详细信息

关键词： Fracture toughness   i-MAX phases   Ideal strength   MAX phases   Tensile and shear deformations  

摘要： The durability and functionality of structural materials in extreme environments rely on their enhanced mechanical stability. We provide atomistic insights into the intrinsic mechanical stability limit of (V_2/3Zr_1/3)₂AlC and its precursor MAX phases M₂AlC (M = V or Zr) through ab initio tensile and shear simulations. Our findings indicate that their weakest tensile direction is [001]/[00 $\bar{0}$ 1]. The ideal tensile strength is 22.90 GPa for (V_2/3Zr_1/3)₂AlC, 32.41 GPa for V₂AlC, and 21.58 GPa for Zr₂AlC, with each value exceeding the corresponding ideal shear strength. We calculated the ideal shear strengths for (V_2/3Zr_1/3)₂AlC (13.38 GPa), V₂AlC (13.66 GPa), and Zr₂AlC (6.37 GPa). The most probable failure mode due to finite strain is sliding along (001)[110] for (V_2/3Zr_1/3)₂AlC, and (00 $\bar{0}$ 1)[10$\bar{1}$ 0] for M₂AlC (M = V, Zr). Consequently, their mode-II and –III fracture toughness are lower than mode-I. We estimated the mode II (mode III) fracture toughness to be 0.92 MPa m^1/2 (0.80 MPa m^1/2) for (V_2/3Zr_1/3)₂AlC, 0.84 MPa m^1/2 (0.75 MPa m^1/2) for V₂AlC, and 0.45 MPa m^1/2 (0.40 MPa m^1/2) for Zr₂AlC. The resistance of these systems to plastic deformation is controlled by the strength of their M − Al (M = V, Zr) bonds. The Zr-based

关键词： Grain boundaries   Shear coupling mechanism   Machine-learning potential   Molecular dynamics  

摘要： Shear-coupled grain boundary (GB) migration plays a crucial role in the deformation of polycrystalline materials. Although this phenomenon has been extensively investigated in [0 0 1] symmetric tilt GBs, other important GB systems remain relatively unexplored, hindering a comprehensive understanding of the underlying mechanisms. In this work, we systematically investigated shear-coupled migration in [1 1 0] symmetric tilt GBs of face-centered cubic Pt metal using large-scale molecular dynamics simulations by a high-efficient machine learning potential. For low-angle GBs, shear-coupled migration is found to proceed via collective intersecting dislocation glide, which generates steps on the second invariant plane. For GB approaching the Σ3(1 1 1) twin boundary, a twin-boundary-mediated migration mechanism is identified. Furthermore, the dependence of coupling mode on both the misorientation angle and the local GB configuration has been elucidated.