Theoretical Study of Electronic,Magnetic, and Optical Response of Fe-doped ZnS: First-Principle Approach

In this study, we demonstrate Zn_1?x Fe _x S (x = 0.0, 0.25, 0.50, 0.75, and 1.0) device applications by reporting electronic, magnetic, and optical properties, computed with Wien2k software, using density functional theory (DFT). The modified Becke and Johnson (mBJ) potential has been applied to accurately determine the material band gap. The presence of half-metallic ferromagnetism (HMF) is demonstrated. Moreover, the observed ferromagnetism is justified in terms of various splitting energies and the exchange constants. The Fe magnetic moment decreases from 4.0 μ _B due to the strong p ? d hybridization. A complete set of various optical parameters is also presented. The variation in the calculated static dielectric constant, due to Fe doping, is inversely related to the band gap that verifies Penn’s model. Moreover, the band gap of ZnS is tunable by the Fe doping, from ultraviolet to visible regions, depicting that the materials are appropriate for optoelectronic devices.     

The effect of mass transfer on reaction rates during immobilized β-galactosidase-catalyzed conversion of lactose in hollow fiber membrane

The mass transfer of substrates through a bio-catalytic membrane layer is a key issue in determining the performance of β-galactosidase-catalyzed conversion of lactose in a hollow fiber membrane reactor (HFMR) system. An investigation on the effect of solutes mass transfer through a bio-catalytic membrane layer was carried out using the coupled mass transfer-reaction model. Product formation was reduced at a trans-membrane pressure (TMP) of higher than 0.5?bar. Meanwhile, the concentration polarization modulus of solutes rapidly increased with higher TMP and this result suggests the formation of gel layer, which reduced bio-catalysis rate at higher applied TMP. The concentration profile of solutes or substrates on the bio-catalytic membrane surface, which determines the rate of reaction was reduced due to mass transfer limitation. This investigation highlights that the formation of substrate-β-gal complex in an immobilized system is influenced by the mass transfer behavior of its substrate.     

Javanese vernacular architecture and environmental synchronization based on the regional diversity of Joglo and Limasan

Joglo and Limasan are traditional Javanese architecture structures and the most preferred vernacular dwellings in Java. These houses spread to other areas through Central Java and the Yogyakarta Province of Indonesia. Given the local characteristics, the architecture of these structures is not merely identical in some aspects but is also based on the people and the natural environment.This study examines how environmental synchronization related to vernacular sustainability can be achieved based on the regional diversity between Joglo and Limasan in Central Java for contemporary custom. The architectural features of form, size, orientation, materials, and openings from samples of 10 areas in rural Central Java are compared to discover their distinctive sustainability methods. This study aims to prove the capability of the Javanese to synchronize their house in various ways. The reasons behind such synchronization are explored from both natural and social aspects to gain an enhanced understanding of the disparity in vernacul ararchitecture in relation with the environment. Results indicate that within the same category, houses in each area show their indigenous architecture as result of synchronization with the local nature and the social circumstances of the people.     

Chick Chorioallantoic Membrane (CAM) Assay as an In Vivo Model to Study the Effect of Newly Identified Molecules on Ovarian Cancer Invasion and Metastasis

The majority of ovarian cancer patients present with advanced disease and despite aggressive treatment, prognosis remains poor. Significant improvement in ovarian cancer survival will require the development of more effective molecularly targeted therapeutics. Commonly, mouse models are used for the in vivo assessment of potential new therapeutic targets in ovarian cancer. However, animal models are costly and time consuming. Other models, such as the chick embryo chorioallantoic membrane (CAM) assay, are therefore an attractive alternative. CAM assays have been widely used to study angiogenesis and tumor invasion of colorectal, prostate and brain cancers. However, there have been limited studies that have used CAM assays to assess ovarian cancer invasion and metastasis. We have therefore developed a CAM assay protocol to monitor the metastatic properties of ovarian cancer cells (OVCAR-3, SKOV-3 and OV-90) and to study the effect of potential therapeutic molecules in vivo. The results from the CAM assay are consistent with cancer cell motility and invasion observed in in vitro assays. Our results demonstrate that the CAM assay is a robust and cost effective model to study ovarian cancer cell metastasis. It is therefore a very useful in vivo model for screening of potential novel therapeutics.     

The role of chloride ions and pH in the corrosion and pitting of Al–Si alloys

The role of chloride ions in the pitting corrosion of some Al–Si alloys was investigated by chemical, polarization and EIS measurements, as well as SEM studies. Differences in corrosion rates of pure aluminium and the alloys are discussed. The capacitive behaviour of the oxide covered surface is replaced by resistive behaviour as immersion time increases in HCl solutions. At neutral pH corrosion currents increase then decrease with chloride ion concentrations. Pitting by chloride ions initiates more readily in acidic media.     

Quantum-confined nanowires as vehicles for enhanced electrical transport

Electrical transport in semiconductor nanowires taking quantum confinement and dielectric confinement into account has been studied. A distinctly new route has been employed for the study. The fundamental science underlying the model is based on a relationship between the quantum confinement and the structural disorder of the nanowire surface. The role of surface energy and thermodynamic imbalance in nanowire structural disorder has been described. A model for the diameter dependence of energy bandgap of nanowires has been developed. Ionized impurity scattering, dislocation scattering and acoustic phonon scattering have been taken into account to study carrier mobility. A series of calculations on silicon nanowires show that carrier mobility in nanowires can be greatly enhanced by quantum confinement and dielectric confinement. The electron mobility can, for example, be a factor of 2-10 higher at room temperature than the mobility in a free-standing silicon nanowire. The calculated results agree well with almost all experimental and theoretical results available in the literature. They successfully explain experimental observations not understood before. The model is general and applicable to nanowires from all possible semiconductors. It is perhaps the first physical model highlighting the impact of both quantum confinement and dielectric confinement on carrier transport. It underscores the basic causes of thin, lowly doped nanowires in the temperature range 200?K?≤?T?≤?500?K yielding very high carrier mobility. It suggests that the scattering by dislocations (stacking faults) can be very detrimental for carrier mobility.     

A possible role of the dipole moment of the catalyst droplet in nanotube growth, alignment, chirality, and characteristics

Why vapor species land on the surface of the nanoparticle seed for nanotube synthesis is a vital question. An investigation has been carried out to find an answer to it. For this, a model of the dipole moment has been developed. A bimetallic alloy (non-alloy, solid solution) exhibiting the shape of a cap has been assumed to function as the nanoparticle seed. Various features of the dipole moment have been examined. The influence of the dipole moment on nanotube synthesis, alignment, chirality, and characteristics has also been studied. Available experiments on the synthesis of carbon nanotubes employing bimetallic catalysts have been compared with the results from calculations. Close correspondence between the two demonstrates that the catalysts may exhibit a dipole moment and have a crucial role in nanotube synthesis and characteristics. The dipole moment has also been employed to determine why some nanotubes grow vertically, while others are bent. Calculated results appear to explain the basic causes for this. These results suggest that the electric field resulting from the dipole moment of catalysts may be important for the vertical alignment of nanotubes. They may attest to the validity of the model and to the existence of a dipole moment in seeds. Although considered for nanotube syntheses, the results may be applicable to other nanomaterials (nanotubes, nanowires, nanodots).     

Progress of key strategies in development of electrospun scaffolds: bone tissue

There has been unprecedented development in tissue engineering (TE) over the last few years owing to its potential applications, particularly in bone reconstruction or regeneration. In this article, we illustrate several advantages and disadvantages of different approaches to the design of electrospun TE scaffolds. We also review the major benefits of electrospun fibers for three-dimensional scaffolds in hard connective TE applications and identify the key strategies that can improve the mechanical properties of scaffolds for bone TE applications. A few interesting results of recent investigations have been explained for future trends in TE scaffold research.     

Synthesis and photocatalytic activity of mesoporous cerium doped TiO2 as visible light sensitive photocatalyst

Cerium doped titania materials were synthesized varying the cerium concentration from 0 to 10 wt%. Materials are characterised by XRD, TEM, XPS and N₂ adsorption desorption method. Surface area and visible light absorption substantially increases and crystallite size decreases with the increasing cerium content. Cerium doping stabilizes the anatase phase and surface area even at 600 °C calcination. Photocatalytic activity towards methylene blue decomposition and selenium (IV) reduction is found to increase with the cerium content up to 5 wt% and then decreases. Materials calcined at 600 °C shows better activity than that calcined at 400 °C, even though surface area decreases. Anatase crystallinity mostly decides the photocatalytic activity rather than only surface area. It can be concluded that the optimum visible light absorption and oxygen vacancy with 5% cerium doping enhances the photocatalytic activity. In addition photocatalytic performance is found to depend on the presence of Ce⁴⁺/Ce³⁺ rather than only visible light absorption.