Theoretical Investigation of Cubic BaVO<Subscript>3</Subscript> and LaVO<Subscript>3</Subscript> Perovskites via Tran–Blaha-Modified Becke–Johnson Exchange Potential Approach

The full potential linearized augmented plane wave method of density functional theory has been used to investigate the structural, electronic, magnetic and thermoelectric properties of cubic perovskites BaVO₃ and LaVO₃. The ferromagnetic ground state has been found to be stable by comparing the total energies of non-spin-polarized and spin-polarized calculations performed for optimized unit cells. For both compounds, the bond length and tolerance factor are also measured. From the band structures and density of states plots, it is found that both compounds are half-metallic. We found that the presence of V at the octahedral site of these perovskites develops exchange splitting through p-d hybridization, which results in a stable ferromagnetic state. The observed exchange splitting is further clarified from the magnetic moment, charge and spin of the anion and cations. Finally, we also presented the calculated thermoelectric properties of these materials, which show that half-metallic BaVO₃ and LaVO₃ materials are potential contenders for thermoelectric applications.     

Co‐condensation synthesis of well‐defined mesoporous silica nanoparticles: effect of surface chemical modification on plasmid DNA condensation and transfection

Chemically modified mesoporous silica nanoparticles (MSNs) are of interest due to their chemical and thermal stability with adjustable morphology and porosity; therefore, it was aimed to develop and compare the MCM‐41 MSNs functionalised with imidazole groups (MCM‐41‐Im) to unmodified (MCM‐41‐OH) and primary amine functionalised (MCM‐41‐NH₂) MSNs for experimental gene delivery. The results show efficient transfection of the complexes of the plasmid and either MCM‐41‐NH₂ or MCM‐41‐Im. Furthermore, following transfection of HeLa cells using MCM‐41‐Im, an enhanced GFP expression was achieved consistent with the noticeable DNase1 protection and endosomal escape properties of MCM‐41‐Im using carboxyfluorescein tracer.Inspec keywords: condensation, mesoporous materials, silicon compounds, nanoparticles, DNA, surface chemistry, porosity, gene therapy, cellular biophysics, biomedical materials, nanomedicine, nanofabrication, molecular biophysics, biochemistryOther keywords: co‐condensation synthesis, surface chemical modification, plasmid DNA condensation, plasmid DNA transfection, chemical modified mesoporous silica nanoparticles, chemical stability, thermal stability, adjustable morphology, porosity, MCM‐41 MSN functionalisation, imidazole groups, MCM‐41‐OH, primary amine functionalised MSN, gene delivery, HeLa cell transfection, GFP expression, DNase1 protection, endosomal escape properties, carboxyfluorescein tracer, SiO₂      

Mechanism study of silver nanoparticle production using Neurospora intermedia

Elucidation of the molecular mechanism of silver nanoparticle (AgNP) synthesis is necessary to control nanoparticle size, shape, and monodispersity. In this study, the mechanism of AgNP formation by Neurospora intermedia was investigated. The higher production rate of AgNP formation using a culture supernatant heat‐treated at 100° and 121°C relative to that with an un‐treated culture supernatant indicated that the native form of the molecular species is not essential. The effect of the protein molecular weight (MW) on the nanoparticle size distribution and average size was studied by means of ultraviolet–visible spectroscopy and dynamic light scattering. Using un‐treated and concentrated cell‐free filtrate passed through 10 and 20 kDa cut‐off filters led to the production of AgNPs with average sizes of 25, 30, and 34 nm, respectively. Also, using the permeate fraction of cell‐free filtrate passed through a 100 kDa cut‐off filter led to the formation of the smallest nanoparticles with the narrowest size distribution (average size of 16 nm and polydispersity index of 0.18). Sodium dodecyl sulphate polyacrylamide gel electrophoresis analysis of the fungal extracellular proteins showed two notable bands with the MWs of 15 and 23 kDa that are involved in the reduction and stabilisation of the nanoparticles, respectively.Inspec keywords: silver, nanoparticles, nanofabrication, proteins, molecular weight, ultraviolet spectra, visible spectra, cellular biophysics, electrophoresis, molecular biophysicsOther keywords: Neurospora intermedia, molecular mechanism, silver nanoparticle synthesis, nanoparticle shape, nanoparticle monodispersity, AgNP formation, untreated culture supernatant, molecular species, protein molecular weight, MW, nanoparticle size distribution, ultraviolet‐visible spectroscopy, dynamic light scattering, untreated cell‐free filtrate, concentrated cell‐free filtrate, cut‐off filters, permeate fraction, polydispersity index, Sodium dodecyl sulphate polyacrylamide gel electrophoresis analysis, fungal extracellular proteins, nanoparticle reduction, nanoparticle stabilisation, temperature 100 degC, temperature 121 degC, size 25 nm, size 30 nm, size 34 nm, size 16 nm, Ag     

Green synthesised zinc oxide nanostructures through Periploca aphylla extract shows tremendous antibacterial potential against multidrug resistant pathogens

To grapple with multidrug resistant bacterial infections, implementations of antibacterial nanomedicines have gained prime attention of the researchers across the globe. Nowadays, zinc oxide (ZnO) at nano‐scale has emerged as a promising antibacterial therapeutic agent. Keeping this in view, ZnO nanostructures (ZnO‐NS) have been synthesised through reduction by P. aphylla aqueous extract without the utilisation of any acid or base. Structural examinations via scanning electron microscopy (SEM) and X‐ray diffraction have revealed pure phase morphology with highly homogenised average particle size of 18 nm. SEM findings were further supplemented by transmission electron microscopy examinations. The characteristic Zn–O peak has been observed around 363 nm using ultra‐violet–visible spectroscopy. Fourier‐transform infrared spectroscopy examination has also confirmed the formation of ZnO‐NS through detection of Zn–O bond vibration frequencies. To check the superior antibacterial activity of ZnO‐NS, the authors'' team has performed disc diffusion assay and colony forming unit testing against multidrug resistant E. coli, S. marcescens and E. cloacae. Furthermore, protein kinase inhibition assay and cytotoxicity examinations have revealed that green fabricated ZnO‐NS are non‐hazardous, economical, environmental friendly and possess tremendous potential to treat lethal infections caused by multidrug resistant pathogens.Inspec keywords: nanomedicine, zinc compounds, II‐VI semiconductors, wide band gap semiconductors, nanoparticles, scanning electron microscopy, X‐ray diffraction, antibacterial activity, transmission electron microscopy, particle size, Fourier transform infrared spectra, ultraviolet spectra, visible spectra, enzymes, biochemistry, molecular biophysics, microorganisms, drugs, toxicology, bonds (chemical), semiconductor growth, nanofabrication, vibrational modesOther keywords: green synthesised zinc oxide nanostructures, Periploca aphylla extract, antibacterial potential, multidrug resistant pathogens, multidrug resistant bacterial infections, antibacterial nanomedicines, P. aphylla aqueous extract, structural examinations, scanning electron microscopy, X‐ray diffraction, pure phase morphology, homogenised average particle size, SEM, transmission electron microscopy, Fourier‐transform infrared spectroscopy, bond vibration frequency, antibacterial activity, disc diffusion assay, colony forming unit testing, S. marcescens, E. cloacae, E. coli, ultraviolet‐visible spectroscopy, protein kinase inhibition assay, cytotoxicity, lethal infections, ZnO     

Generalized thermoelastic diffusion in a nanoscale beam using eigenvalue approach

In this paper, the effect of mass diffusion in a thermoelastic nanoscale beam in context Lord and Shulman theory is studied. The analytical solution in the Laplace domain is obtained for lateral deflection, temperature, displacement, concentration, stress and chemical potential. The both ends of the nanoscale beam are simply supported. The basic equations have been written in the form of a vector-matrix differential equation in the Laplace transform domain, which is then solved by an eigenvalue approach. The results obtained are presented graphically for the effect of time and mass diffusion to display the phenomena physical meaning.     

Novel method to transform ZnO nanorods into interlaced tattered nanosheets by changing the target inclination angle

ZnO nanoparticles were synthesized by liquid-phase pulse laser ablation of a Zn foil target immersed in deionized water. Nanosecond Q-switched Nd:YAG laser pulses of 532 nm were applied to the Zn foil target at a perpendicular and inclined (θ = 45°) angles. X-ray diffraction analysis revealed that both cases feature a ZnO nanostructure with a hexagonal wurtzite structure and that the particle size increases with the inclined target angle. Field emission scanning electron microscopy results of a colloidal drop cast on a glass substrate showed the ZnO has a nanorod structure in the case of a perpendicular target angle and an interlaced tattered nanosheet structure in the case of an inclined target angle. Photoluminescence spectra showed emission peaks in the UV, violet, blue, and green spectral regions, which correspond to excitonic and various defects resulting in an enhancement of emissions at inclined target angle.     

Performance analysis of opportunistic broadcast for delay-tolerant wireless sensor networks

This paper investigates a class of mobile wireless sensor networks that are unconnected most of the times; we refer to them as delay-tolerant wireless sensor networks (DTWSN). These networks inherit their characteristics from both delay tolerant networks (DTN) and traditional wireless sensor networks. After introducing DTWSNs, three main problems in the design space of these networks are discussed: routing, data gathering, and neighbor discovery. A general protocol is proposed for DTWSNs based on opportunistic broadcasting in delay-tolerant networks with radio device on-off periods. Three performance measures are defined in the study: the energy for sending queries to ask for data from possible neighbors (querying energy), data transfer energy, and absorption time (delay). A simple yet accurate approximation for the data-transfer energy is proposed. An analytic model is provided to evaluate the querying energy per contact (epc). Simulation results for the data propagation delay show that the querying energy per contact measure obtained from the analytic model is proportional to the product of the querying energy and the delay. A practical rule of thumb for an optimal query interval in terms of delay and energy is derived from different parts of the study.     

The performance of multiwavelets based OFDM system under different channel conditions

In wireless communication reception, the reliability of orthogonal frequency division multiplexing (OFDM) is limited because of the time-varying nature of the channel. This causes inter-carrier interference (ICI) and increases inaccuracies in channel tracking. This can effectively be avoided at the cost of power loss and bandwidth expansion by inserting a cyclic prefix guard interval before each block of parallel data symbols. However, this guard interval decreases the spectral efficiency of the OFDM system as the corresponding amount. Recently, it was found that based on Haar-orthonormal wavelets, discrete wavelet-based OFDM (DWT-OFDM) is capable of reducing the inter symbol interference (ISI) and ICI, which are caused by the loss in orthogonality between the carriers. DWT-OFDM can also support much higher spectrum efficiency than discrete Fourier-based OFDM (DFT-OFDM). In this paper the DFT-OFDM is replaced by Multiwavelets OFDM (DMWT-OFDM) in order to further reduce the level of interference and increase spectral efficiency. It is found that proposed Multiwavelet design achieves much lower bit error rates, increases signal to noise power ratio (SNR), and can be used as an alternative to the conventional OFDM. The proposed OFDM system was modeled tested, and its performance was found under different channel conditions.     

Design and optimization of LNA topologies with image rejection filters

An important problem in designing RFIC in CMOS technology is the parasitic elements of passive and active devices that complicate design calculations. This article presents three LNA topologies including cascode, folded cascade, and differential cascode and then introduces image rejection filters for low‐side and high‐side injection. Then, a new method for design and optimization of the circuits based on a Pareto‐based multiobjective genetic algorithm is proposed. A set of optimum device values and dimensions that best match design specifications are obtained. The optimization method is layout aware, parasitic aware, and simulation based. Circuit simulations are carried out based on TSMC 0.18 μm CMOS technology by using Hspice. © 2010 Wiley Periodicals, Inc. Int J RF and Microwave CAE, 2010.