Unravelling the surface structure of ß-Ga2O3 (100).

The present work is on a comprehensive surface atomic structure investigation of ß-Ga2O3 (100). The ß-Ga2O3 single crystal was studied by a structural model system in the simulations and in situ characterization via X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED) and X-ray photoelectron diffraction (XPD) allowed for probing the outermost layers' properties. In situ XPD characterization allows for the collection of valuable element-specific short-range information from the ß-Ga2O3 surface, and the results were compared to a systematic and precise multiple scattering simulation approach. The experiments, characterizations, and simulations indicated strong evidence of considerable structural variations in the interatomic layer's distances. Such atomic displacement could clarify the electronic phenomena observed in theoretical studies. The comparison between experimental and theoretical XPD results involving multiple scattering calculations indicated that the ß-Ga2O3 surface has two possible terminations. The best fits to the photoelectron diffraction curves are used to calculate the interplanar relaxation in the first five atomic layers. The results show good agreement with previous density functional theory calculations, establishing XPD as a useful tool for probing the atomic structure of oxide surfaces.

X-ray photoelectron diffraction study of the approximant Al5Co2(001) quasicrystal.

The intermetallic Al5Co2 is defined as a structurally complex material and is considered a low-order quasicrystalline approximant. A single crystal of Al5Co2(001) was obtained by the Czochralski method. The sample was characterized by X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED), and X-ray photoelectron diffraction (PED). The surface composition was also analyzed by XPS, indicating only Al and Co compounds. In the current research, the crystal structure was qualitatively analyzed using the LEED patterns for different incident beam energies indicating a (1 × 1) termination, also in accordance with some literature works. The structure study was performed by applying the standard software MSCD and showed a (1 × 1) pattern. In addition, four different termination models for this termination were tested. The reliability factor indicated that the best termination belongs to the Al-rich surface layer.

Synthesis, characterization, and evaluation of antibacterial activity of transition metal oxyde nanoparticles.

Nanoparticles (NPs) have a wide range of applications in various areas. For health application, cytotoxicity tests are used to ensure its efficiency and safety. In this paper, ZnFe2O4, CoFe2O4, Zn0.5Co0.5Fe2O4 NPs were synthesized, characterized and their antibacterial properties were evaluated. The Sol-Gel method was used to synthesize the NPs. Their electronic and crystallographic structures were characterized by Fourier Transform Infrared Spectroscopy Analysis (FTIR), X-ray fluorescence (XRF), X-Ray Diffraction (XRD), and Transmission Electron Microscopy (TEM). To perform the antibacterial evaluation, ferrites were dispersed through nanoemulsion to prevent the crystals from accumulating together. Then the evaluation was performed through microdilution in a 96-well plate and diffusion in agar disc in contact with 3 different strains of Staphylococcus aureus and Escherichia coli. It demonstrated that the Sol-Gel method was efficient to synthesize NPs with suitable sizes for health application. All synthesized NPs showed the inhibition of bacterias with different concentrations used.

Mineral composition and microstructure of the abaxial hoof wall in dairy heifers after biotin supplementation.

The aim of this study was to evaluate the effect of daily biotin supplementation on the mineral composition and microstructure of the abaxial hoof wall in dairy heifers. The heifers were housed on a concrete floor and fed for weight gain more than 800 g per day, which is a challenging environment for the hoof. Twelve crossbred dairy heifers (Jersey × Holstein) were divided into two treatment groups. Animals in the control group (n = 6) received a diet without supplemental biotin, while the heifers in the biotin-supplemented feed group (n = 6) each received 20 mg of biotin daily for 120 days. Samples of the abaxial hoof wall were collected from the outer claw of the fore and hind limb, before and after supplementation. The samples were evaluated by X-ray fluorescence spectrometry, computed microtomography, atomic force microscopy and confocal laser scanning microscopy. Biotin supplementation increased the sulphur content and decreased the calcium and potassium content in the abaxial hoof wall. Biotin treatment also increased the percentage of horn tubules with smaller diameter marrow (17-51 µm). However, biotin did not influence the surface relief of the hoof wall, suggesting that its action is limited to the inner layers of the stratum corneum. Daily supplementation with 20 mg of biotin promoted changes in the mineral composition and microstructure of abaxial hoof wall of crossbred dairy heifers. These findings suggest biotin supplementation improves hoof quality and may help to understand the function of biotin in the stratum corneum.

Employing Calcination as a Facile Strategy to Reduce the Cytotoxicity in CoFe2O4 and NiFe2O4 Nanoparticles.

CoFe2O4 and NiFe2O4 nanoparticles (NPs) represent promising candidates for biomedical applications. However, in these systems, the knowledge over how various physical and chemical parameters influence their cytotoxicity remains limited. In this article, we investigated the effect of different calcination temperatures over cytotoxicity of CoFe2O4 and NiFe2O4 NPs, which were synthesized by a sol-gel proteic approach, toward L929 mouse fibroblastic cells. More specifically, we evaluated and compared CoFe2O4 and NiFe2O4 NPs presenting low crystallinity (that were calcined at 400 and 250 °C, respectively) with their highly crystalline counterparts (that were calcined at 800 °C). We found that the increase in the calcination temperature led to the reduction in the concentration of surface defect sites and/or more Co or Ni atoms located at preferential crystalline sites in both cases. A reduction in the cytotoxicity toward mouse fibroblast L929 cells was observed after calcination at 800 °C. Combining with inductively coupled plasma mass spectrometry data, our results indicate that the calcination temperature can be employed as a facile strategy to reduce the cytotoxicity of CoFe2O4 and NiFe2O4, in which higher temperatures contributed to the decrease in the dissolution of Co2+ or Ni2+ from the NPs. We believe these results may shed new insights into the various parameters that influence cytotoxicity in ferrite NPs, which may pave the way for their widespread applications in biomedicine.

Polarization dependent chemistry of ferroelectric BaTiO3(001) domains.

Recent works suggest that the surface chemistry, in particular the presence of oxygen vacancies, can affect the polarization in a ferroelectric material. This should, in turn, influence the domain ordering driven by the need to screen the depolarizing field. Here we show using density-functional theory that the presence of oxygen vacancies at the surface of BaTiO(3)(001) preferentially stabilizes an inward pointing, P-, polarization. Mirror electron microscopy measurements of the domain ordering confirm the theoretical results.