Explore the vast range of titles available.

In this research, cadmium oxide ( CdO ) nanoparticle thin films have been prepared at room temperature using a chemical bath deposition (CBD) technique, and the effect of the deposition time were studied. CdO thin films have been deposited on glass substrate from cadmium chloride (CdCl 2 ) as cd +2 ions source and sodium hydroxide NaOH as O −2 ions source. The pH value (acidity level) of the chemical bath was fixed at about 11. The CdO thin films structures were analyzed by X-ray diffraction. It shows that all the prepared thin films have a cubic polycrystalline structure with a preferential orientation along (111) plane. All structural parameters were calculated. Particle size for the preferential orientation is calculated between (19.1-35.5 nm). It is found that the grain size increased with increasing the deposition time. UV-Vis spectrophotometer was used to study the optical properties, and a blue shift in the absorption peaks was noticed. The energy gap values (direct transition and indirect) calculated from the absorption spectrum located between (3.026-3.409 eV) for direct transitions and (2.197-2.917 eV) for indirect transitions, and this indicates that all CdO thin films prepared nanoparticles. We found that the energy gap decreased with increasing the deposition time.

In the present work, pure and Cr-doped MoO3 microrods were successfully prepared through the sol gel auto combustion method. The phase evaluation and microstructural, dielectric, and optical properties of synthesized samples were investigated by using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and an impedance analyzer (1 MHz–3 GHz). All the samples showed hexagonal structure with space group (P63). According to Vegard’s law, lattice parameters increase with the increase in chromium (Cr3+) contents. In addition, the Williamson–Hall (W–H) plot was drawn for evaluating the micro-strain (εW-H) and crystallite size (DW-H) parameters. From microstructural analysis it was found that the size of microrods increased along with Cr3+ contents. Decreasing band gap energy was observed (from 2.98 to 2.71 eV) with increasing Cr3+ contents. The variation of the dielectric constant and tangent loss of MoO3 microrods with respect to frequency were analyzed.

Dengue fever, caused by dengue virus (DENV), has become a serious threat to human lives. Phytochemicals are known to have great potential to eradicate viral, bacterial and fungal-borne diseases in human beings. This study was aimed at in silico drug development against nonstructural protein 4B (NS4B) of dengue virus 4 (DENV4). A total of 2750 phytochemicals from different medicinal plants were selected for this study. These plants grow naturally in the climate of Pakistan and India and have been used for the treatment of various pathologies in human for long-time. The ADMET studies, molecular docking and density functional theory (DFT) based analysis were carried out to determine the potential inhibitory properties of these phytochemicals. The ADMET analysis and docking results revealed nine phytochemicals, i.e. Silymarin, Flavobion, Derrisin, Isosilybin, Mundulinol, Silydianin, Isopomiferin, Narlumicine and Oxysanguinarine to have potential inhibitory properties against DENV and can be considered for additional in vitro and in vivo studies to assess their inhibitory effects against DENV replication. They exhibited binding affinity ≥ -8 kcal/mol against DENV4-NS4B. Furthermore, DFT based analysis revealed high reactivity for these nine phytochemicals in the binding pocket of DENV4-NS4B, based on ELUMO, EHOMO and band energy gap. Five out of nine phytochemicals are reported for the first time as novel DENV inhibitors. These included three phytochemicals from Silybum marianum, i.e. Derrisin, Mundulinol, Isopomiferin, and two phytochemicals from Fumaria indica, i.e. Narlumicine and Oxysanguinarine. However, all the nine phytochemicals can be considered for in vitro and in vivo analysis for the development of potential DENV inhibitors.

In this work, the optical characteristics of uranium (U), lead (Pb), cobalt (Co), and thorium (Th) nanoparticles are fashioned and simulated employing the finite element analysis (FEA) approach concerning multiple particle sizes. Applying finite element analysis, it was found that the simulated absorption peaks of electronic excitations of nuclear nanoparticles are red-shifted from 365 nm to 555 nm for U; from 355 nm to 550 nm for Pb; from 415 nm to 610 nm for Co; and from 350 nm to 540 nm for Th, comparing expanding particle sizes from 60 nm to 100 nm (except for Co, which varied from 70 nm to 100 nm). The FEA-simulated optical band gap energies and far-field radiation patterns were also obtained for nuclear materials. The simulation approach in this research enables the prediction of optical properties and design of nuclear materials before manufacture for nuclear security applications.

Among metals, Ti and majority of its alloys exhibit excellent biocompatibility or tissue compatibility. Although their high corrosion resistance is a factor in the biocompatibility of Ti and Ti alloys, it is clear that other factors exist. In this review, the corrosion resistance and passive film of Ti are compared to those of other metallic biomaterials, and their band gap energies, E g s, are compared to discuss the role of E g in the reactivity with living tissues. From the perspective of the material's surface, it is possible to explain the excellent biocompatibility of Ti by considering the following factors: Ti ions are immediately stabilized not to show toxicity if it is released to body fluids; good balance of positive and negative charges by the dissociation of surface hydroxyl groups on the passive film; low electrostatic force of the passive film inducing a natural adsorption of proteins maintaining their natural conformation; strong property as n-type semiconductor; lower band gap energy of the passive film on Ti generating optimal reactivity; and calcium phosphate formation is caused by this reactivity. The results suggest that due to the passive oxide film, the optimal balance between high corrosion resistance and appropriate reactivity of Ti is the predominate solution for the excellent biocompatibility of Ti.

The perovskite solar cell technologies are the hope of satisfying the huge demand of tomorrow’s energy requirements. The inorganic, organic and mixed perovskite materials are the backbone of modern solar cells. The energy band gap and refractive index of perovskites help in selecting proper materials for solar cell, solid-state lighting and lasing applications. In this paper, various perovskite materials and different energy band gap–refractive index relations have been studied. A simple empirical relationship between energy gap ‘ E g ’ and refractive index ‘ n ’ for perovskites has been developed and proposed. Using this relationship, refractive indices of 33 different perovskites have been calculated and compared with their reported values. Also, the refractive indexes of about 140 new perovskites have been predicted and reported probably for the first time. The researchers interested in refractive index calculation may use the proposed relation and need not to worry for complex experimental setup. Graphic abstract

Chitosan was obtained from the chitin of shrimp shells by the deacetylation process. The chitosan was suspended in acetic acid to prepare the 1% (w/v) chitosan solution. Maleic acid (MA), poly (vinyl alcohol) (PVA), glycerol (Gly), and diethylene glycol (DEG) were used as plasticizers to cast a series of films. FTIR analysis provided evidence that the plasticizers physically reacted with chitosan without altering the chemical structure of chitosan. Notably, XRD and DSC analysis revealed that the plasticizers significantly disrupted the crystalline structure of chitosan, reducing its crystallinity index and Tg, and enhancing film flexibility. Furthermore, all the plasticized films showed drastic transparency onsets and adjustable optical band gaps (> 3.0 eV). The most significant result is that maleic acid was found to be an excellent plasticizer, providing films with maximum homogeneity, greatest flexibility, and good transparency. Such fine-tuned properties, combined with the intrinsic UV-barrier function, flexibility, and high transparency, have led to serious consideration of these plasticized chitosan films as ideal and sustainable materials for emerging applications, such as biodegradable food packaging, where product visibility and spoilage protection are required simultaneously.

The effect of Zn-doping in CoFe 2 O 4 nanoparticles (NPs) through chemical co-precipitation route was investigated in term of structural, optical, and magnetic properties. Both XRD and FTIR analyses confirm the formation of cubic spinel phase, where the crystallite size changes with Zn content from 46 to 77 nm. The Scherrer method, Williamson-Hall (W-H) analysis, and size-strain plot method (SSPM) were used to study of crystallite sizes. The TEM results were in good agreement with the results of the SSP method. SEM observations reveal agglomeration of fine spherical-like particles. The optical band gap energy determined from diffuse reflectance spectroscopy (DRS) varies increases from 1.17 to 1.3 eV. Magnetization field loops reveal a ferromagnetic behavior with lower hysteresis loop for higher Zn content. The magnetic properties are remarkably influenced with Zn doping; saturation magnetization (M s ) increases then decreases while both coercivity (H C ) and remanent magnetization (M r ) decrease continuously, which was associated with preferential site occupancy and the change in particle size.

In this study, highly c-axis-oriented ZnO:TM (TM = Co, Fe, and Mn) thin films doped with different doping levels (x = 0–10 at%) of TM were grown by chemical (sol-gel) and physical (magnetron sputtering) film deposition methods. These films were scrutinized by XRD, AFM, FESEM, EDX, XPS, Uv-Vis spectrophotometer, and VSM magnetometer. All the films have a powerful preferential c-axis orientation with a hexagonal polycrystalline structure. Comparatively, the stronger c-axis orientation and higher crystalline quality were observed for the chemically fabricated films than those physically derived. The chemically derived films had relatively higher roughness and it was decreased with increasing TM doping concentration. Compared to the ZnO, an increment in the crystallinity of chemically derived films was observed with an enhanced TM doping ratio, whereas a decrement in physically derived films was observed. The existence of Zn, Mn, Co, Fe, and O atoms and Zn 2+ , Co 2+ , Mn 2+ , and Fe 2+ ions were determined. Optical analysis revealed that the transmittance of chemically derived ZnO:TM thin films was relatively higher than physically produced, and the optical band gap of the films produced by both techniques was in good agreement with each other except for the ZMO. Magnetic measurements showed a clear room temperature ferromagnetic behavior for the ZnO:Mn and ZnO:Fe films. In contrast, paramagnetic behavior was observed for the chemically and physically produced ZnO:Co films. Among all films, the highest ferromagnetic response was obtained for the ZnO:Fe films due to their high crystallinity and purity. These outcomes reflect the produced films have great potential to be promising materials for optoelectronic and spintronic applications.

This article explores the three-dimensional thermoelastic problem in a homogeneous, isotropic rectangular plate subjected to an external heat source and an electromagnetic field under three theories: nonlocal classical coupled dynamical theory (NLCDC), nonlocal Lord-Shulman theory (NLLS), and nonlocal dual phase-lag theory (NLDPL). Normal mode analysis is applied to the governing equations and employs the eigenvalue approach methodology to obtain an analytical closed-form solution. Comparative numerical differentiations are performed for three different semiconductors: Silicon (Si), Germanium (Ge), and Gallium Arsenide (GaAs). The results are presented graphically in both two-dimensional and three-dimensional formats based on fixed physical parameters of the three semiconductors. The results reveal the significant effects of the comparisons across the three theories, the heat source, electromagnetic field, and thermoelastic coupling parameter, which are influenced by the non-local theory with ultra-short thermoelastic response. Different values of energy band gap [Formula: see text] for the three semiconductors (Si, Ge, and GaAs) produce more pronounced characteristics for the variations in thermoelastic properties.