Pharmacokinetics/pharmacodynamics of marbofloxacin in a Pasteurella multocida serious murine lung infection model

The ARRIVE Guidelines Checklist. Animal Research: Reporting In Vivo Experiments. (PDF 391 kb

Tetrahedral Lithium Stuffing in Disordered Rocksalt Cathodes for High-Power-Density and Energy-Density Batteries

Li-rich cation-disordered rocksalt (DRX) materials introduce new paradigms in the design of high-capacity Li-ion battery cathode materials. However, DRX materials show strikingly sluggish kinetics due to random Li percolation with poor rate performance. Here, we demonstrate that Li stuffing into the tetrahedral sites of the Mn-based rocksalt skeleton injects a novel tetrahedron-octahedron-tetrahedron diffusion path, which acts as a low-energy-barrier hub to facilitate high-speed Li transport. Moreover, the enhanced stability of lattice oxygen and the suppression of transition metal migration preserve the efficacy of the Li percolation network during cycling. Overall, the tetrahedral Li stuffing DRX material exhibits high energy density (311 mAh g-1, 923 Wh kg-1) and high power density (251 mAh g-1, 697 Wh kg-1 at 1000 mA g-1). Our results highlight the potential to develop high-performance and earth-abundant cathode materials within the extensive range of rocksalt compounds

Effects of alloying elements on the solubility, diffusivity, and permeability of hydrogen in TiC from first-principles calculation

First-principles calculations were utilized to explore the effects of Zr, Nb, Ta, and W on the solubility, diffusivity, and permeability of hydrogen in TiC. It is found that the trigonal site of H in TiC, which is encircled by three Ti atoms lying a {111} plane, has been identified as thermodynamically more stable. The addition of alloying elements will destroy the equilibrium distribution of the Ti-H interaction and reduce the structural stability of interstitial H. Furthermore, the solubility, diffusivity, and permeability of H in Ti32C32 and Ti31MC32 (M = Zr, Nb, Ta, and W) at finite temperatures are derived, and the results are discussed and compared with similar experiments in the literature. Drawing upon the influence of elemental alloying on H retention, we deeply understand experimental observations and provide experimentalists with a potentially valuable recommendation for controlling hydrogen permeability

Alloying effects of Zr, Nb, Ta, and W on thermodynamic and mechanical properties of TiC based on first-principles calculation

First-principles calculation has been used to study the temperature-dependent thermodynamic and mechanical properties of TiC with additions of transition metal elements through the combination of quasi-harmonic Debye model and thermal electronic excitation. It is found that the substitution behaviors of Zr, Nb, Ta, and W doped into TiC are not only structurally stable, but also would increase its melting temperature. To further determine the alloying effects, the mechanical parameters of doped TiC at finite temperatures have been established by means of ductility, Vickers hardness, fracture toughness, and machinability damage tolerance, from which we reveal that it is feasible to substitute Ti by W in TiC. The computed results are in good agreements with experimental observations in the literature, and are discussed in terms of electronic structures and bond characteristics

Effect of Atomic Ordering on Phase Stability and Elastic Properties of Pd-Ag Alloys

Palladium (Pd) and its alloys, renowned for their good corrosion resistance, catalytic efficiency, and hydrogen affinity, find extensive use in various industrial applications. However, the susceptibility of pure Pd to hydrogen embrittlement necessitates alloying strategies such as Pd-Ag systems. This study investigates the impact of the ordering on the phase stability and elastic properties of Pd-Ag alloys through first-principles calculations. We explore a series of ordered phase structures alongside random solid solutions using Special Quasirandom Structures (SQSs), evaluating their thermodynamic stability and elastic properties. Our findings indicate the possible existence of stable ordered L12 Pd3Ag and PdAg3 and L11 PdAg phases, which are thought to exist only in Cu-Pt alloys. An analysis of the elastic constants and anisotropy indices underscores some pronounced directional dependencies in the mechanical responses between the random solid-solution and ordered phases. This suggests that the ordered phases not only are thermodynamically and mechanically more stable than solid-solution phases, but also display a decrease in anisotropy indices. The results provide a deeper understanding of the atomic behavior of Pd-Ag alloys, and shed light on the design of multiphase Pd-Ag alloys to improve their mechanical properties

Influence of crystallographic orientations and nanovoid on the plastic mechanism and damage behavior of single-crystal tungsten under shock

In this work, we investigated the shock response of single-crystal tungsten with pre-existing voids using nonequilibrium molecular dynamics simulations, considering four crystallographic orientations ([100], [110], [111], and [112]). The results reveal that the presence of nanovoids significantly reduces the spall strength of tungsten. For perfect single crystals, the spall strength is highest along [111] (47.65 GPa) and [112] (42.89 GPa), while [110] exhibits the lowest value (32.79 GPa). However, with a void radius of 1.644 nm, the spall strength of [111] and [112] decreases sharply to 24.14 GPa and 20.16 GPa, respectively. In contrast, the spall strength reduction is minimal for [100] and [110]. Various plastic deformation mechanisms, such as dislocation emission, twinning, and prismatic loop formation, were observed during shock compression, with distinct differences between perfect and void-containing samples. These mechanisms and the associated microstructural evolution explain the anisotropic spallation behavior and provide insights into the rapid decline in spall strength for specific orientations

Estimating Restrictiveness of SPS Measures for China's Dairy Imports

China has strengthened dairy food safety management with both industrial and trade policies since the melamine incident of 2008. Sanitary and Phytosanitary (SPS) measures constitute the majority of non-tariff measures (NTMs) for China’s dairy imports. Both Trade Restrictiveness Indexes (TRIs) and Overall Trade Restrictiveness Indexes (OTRIs) pertaining to SPS measures are greater than tariff rates for China’s dairy imports. The top ten countries that export dairy to China experienced different levels of market access barriers, depending on whether they export concentrated milk or cream. SPS related measures are essential for China to develop a safe dairy industry. Supplying China with safe and high quality dairy goods is the best method for dairy exporters to overcome barriers of China’s SPS measures