Herein, we carefully investigated the Fe3+ doping effects on the structure and electron distribution of Cr2O3 nanoparticles using X-ray diffraction analysis (XRD), maximum entropy method (MEM), and density functional theory (DFT) calculations. We showed that increasing the Fe doping induces an enlargement in the axial ratio of c/a, which is associated with an anisotropic expansion of the unit cell. We found that as Fe3+ replaces Cr in the Cr2O3 lattice, it caused a higher interaction between the metal 3d states and the oxygen 2p states, which led to a slight increase in the Cr/Fe–O1 bond length followed by an opposite effect for the Cr/Fe–O2 bonds. Our results also suggest that the excitations characterize a well-localized bandgap region from occupied Cr d to unoccupied Fe d states. The Cr2O3 and Fe-doped Cr2O3 nanoparticles behave as Mott–Hubbard insulators due to their band gap being in the d−d gap, and Cr 3d orbitals dominate the conduction band. These findings suggest that the magnitude and the character of the electronic density near the O atom bonds in Cr2O3 nanoparticles are modulated by the Cr–Cr distances until its stabilization at the induced quasi-equilibrium of the Cr2O3 lattice when the Fe3+ doping values reaches the saturation level range.
1 February 2020 in Construction and Building Materials
The interaction of copaiba oil in the polymer matrix of chitosan can produce a favorable synergistic effect and potentiate properties. Indeed, the bioactive principles present in copaiba oil have anti-inflammatory and healing action. In the present work, chitosan membranes containing different contents of copaiba oil copaíba (0.1, 0.5, 1.0 and 5.0% (v/v)) were for the first time investigated. The membranes were developed by the casting method and analyzed for their morphology, degree of intumescence, moisture content, contact angle, Scanning Electron Microscope, and X-ray diffractometry. These chitosan/copaiba oil porous membranes disclosed fluid absorption capacity, hydrophilic surface, and moisture. In addition, the results showed that chitosan membranes with the addition of 1.0% (v/v) of copaiba oil presented oil drops with larger diameters, around 123.78 μm. The highest fluid absorption indexes were observed in chitosan membranes containing 0.1 and 0.5% (v/v) of copaiba oil. In addition, the copaiba oil modified the crystalline structure of chitosan. Such characteristics are expected to favor wound treatment. However, biological studies are necessary for the safe use of chitosan/copaiba oil membrane as a biomaterial.
Chitosan comprises polymeric macromolecules with technical and biological properties that have been used in biomedical healing applications requiring anti-microbial and anti-inflammatory capacities worldwide. In the tropical regions, green banana peel extract and andiroba oil are considered natural products with wound healing properties. The present study, for the first time, synthesized chitosan/green banana peel extract/andiroba oil (CGA) membranes and analyzed them using scanning electron microscopy (SEM) and the swelling and moisture tests. The CGA membranes together with control membranes of plain chitosan and chitosan plus green banana peel extract, were characterized by contact angle measurement, X-ray diffraction (XRD) and differential scanning calorimetry (DSC). Macroscopic analysis showed significant differences in color and transparency caused by the number of decoction days used for extract preparation and the oil content. SEM observations disclosed the formation of two phases, lipid and polymer, in the CGA. The number of decoction days and the andiroba oil content were inversely related to the swelling moisture uptake. All membranes were found to be hydrophilic with contact angles less than 90°. The incorporation of plant extract and oil promoted the appearance of related XRD peaks. DSC curves revealed a reduction in the enthalpy of the CGA membranes compared with plain chitosan, which might be attributed to the evaporation of the natural extract and oil. Based on these findings, the studied newly synthesized membranes demonstrated a potential for healing epithelial lesions.