Effect of ZnO doping on the structural and optical properties of BaWO<Subscript>4</Subscript> thin films prepared using pulsed laser ablation technique

BaWO₄ doped with ZnO (2, 3, 5, 7 and 10 wt%) nanostructured films are prepared on quartz substrates by pulsed laser ablation. The films are post annealed at 900°C. GIXRD analysis of the post-annealed films reveal the change of orientation of scheelite tetragonal crystal growth from 1 1 2 reflection plane to 0 0 4 planes when doping concentration is more than 3 wt%. The AFM images show that film with 7 wt% ZnO doping concentration has good ceramic pattern with surface features giving a minimum value of rms surface roughness suitable for optoelectronic device applications. The optical transmittance and band-gap energy of the films are found to decrease considerably on postannealing which can be due to the increase in grain size of the crystallites on annealing. Thus doping with ZnO improves the surface features of the films and increases the optical band-gap energy.     

Studies on evaporated titanium oxide thin films for oxygen gas detection

Present work deals with the preparation of TiO₂ thin films of different thicknesses by PVD technique using an electron beam and to characterize the films for oxygen gas detection. The films were characterized using optical transmission measurements, XRD and atomic force microscopy. From the spectral data, the extinction, absorption coefficient and refractive index of the films are evaluated and reported. The optical band gap energy varies between 3 and 3.68 eV. The XRD pattern confirms the formation of polycrystalline anatase structure of Titanium with preferred orientation of (110) plane. The AFM images indicate the presence of coarse and fine grains with uniform as well as smooth surfaces over the entire range of the analyzed surface. Response characteristics of TiO₂ thin films for oxygen gas detection are studied, which indicate a low response time of 120 seconds and high sensitivity of 16 at the operating temperature 450 °C. Paper presented at the 2nd International Conference on Ionic Devices, Anna University, Chennai, India, Nov. 28–30, 2003.     

Turbulent flow inside the cylinder of a Diesel engine — an experimental investigation using hot wire anemometer

This paper describes the measurement of mean velocity and turbulence intensity using hot-wire anemometry inside the cylinder of a Diesel engine under motoring (non-firing) conditions. The effects of engine speed and compression ratio on mean velocity and turbulence intensity have been studied. In addition, turbulence scales have also been evaluated using auto-correlation function and power spectrum which are obtained from fluctuating velocity. The measurements were carried out at 4 different locations inside the piston cavity. Mean velocity and turbulence intensity are found to increase with speed. Increase in compression ratio has significantly increased the mean velocity at all crank angles. The main feature of this investigation is that the experiments have been conducted at higher compression ratios and a relatively high speed using a single high temperature straight wire probe.List of symbols A constant - B constant - D hot-wire diameter - F(f) normalized one-dimensional energy spectral density function - f frequency - i current through the hot-wire - k thermal conductivity of air at any temperature - k ₀ thermal conductivity of air at reference temperature - L hot-wire length - L _t macro or integral time scale of turbulence - L _x macro or integral length scale of turbulence - N number of cycles - Nu Nusselt number - n constant - R hot-wire resistance - Re Reynolds number - R () auto-correlation coefficient - T period of measurement and temperature - T ₀ reference temperature - T _g cylinder gas temperature - T _w hot-wire temperature - U instantaneous velocity - U mean velocity - u _I fluctuating velocity - u turbulence intensity - _t absolute viscosity of air at any temperature - ₀ absolute viscosity of air at reference temperature - engine crank angle - correlation time - _t micro-time scale of turbulence - _x micro-length scale of turbulence     

Investigation of dephasing in an open quantum system under chaotic influence via a fractional Kohn–Sham scheme

In this work, the dynamics of dephasing (without relaxation) in the presence of a chaotic oscillator is theoretically investigated. The time‐dependent density functional theory framework was used in tandem with the Lindblad master equation approach for modeling the dissipative dynamics. Using the Kohn–Sham (K–S) scheme under certain approximations, the exact model for the potentials was acquired. In addition, a space‐fractional K–S scheme was developed (using the modified Riemann–Liouville operator) for modeling the dephasing phenomenon. Extensive analyses and comparative studies were then done on the results obtained using the space‐fractional K–S system and the conventional K–S system. © 2014 Wiley Periodicals, Inc.     

Smartphone based bacterial detection using biofunctionalized fluorescent nanoparticles

We are describing immunochromatographic test strips with smart phone-based fluorescence readout. They are intended for use in the detection of the foodborne bacterial pathogens Salmonella spp. and Escherichia coli O157. Silica nanoparticles (SiNPs) were doped with FITC and Ru(bpy), conjugated to the respective antibodies, and then used in a conventional lateral flow immunoassay (LFIA). Fluorescence was recorded by inserting the nitrocellulose strip into a smart phone-based fluorimeter consisting of a light weight (40 g) optical module containing an LED light source, a fluorescence filter set and a lens attached to the integrated camera of the cell phone in order to acquire high-resolution fluorescence images. The images were analysed by exploiting the quick image processing application of the cell phone and enable the detection of pathogens within few minutes. This LFIA is capable of detecting pathogens in concentrations as low as 10⁵ cfu mL^?1 directly from test samples without pre-enrichment. The detection is one order of magnitude better compared to gold nanoparticle-based LFIAs under similar condition. The successful combination of fluorescent nanoparticle-based pathogen detection by LFIAs with a smart phone-based detection platform has resulted in a portable device with improved diagnosis features and having potential application in diagnostics and environmental monitoring. Figure

The successful combination of fluorescent nanoparticle-based pathogen detection by lateral flow immunoassay with a smart phone-based detection platform has resulted in a portable device that enables rapid and reliable bacterial detection holding large potential in diagnostics and environmental monitoring     

Intramolecular interactions of L‐phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules

Intramolecular interactions between fragments of L ‐phenylalanine, i.e., phenyl and alaninyl, have been investigated using dual space analysis (DSA) quantum mechanically. Valence space photoelectron spectra (PES), orbital energy topology and correlation diagram, as well as orbital momentum distributions (MDs) of L ‐phenylalanine, benzene and L ‐alanine are studied using density functional theory methods. While fully resolved experimental PES of L ‐phenylalanine is not yet available, our simulated PES reproduces major features of the experimental measurement. For benzene, the simulated orbital MDs for 1e_1g and 1a_2u orbitals also agree well with those measured using electron momentum spectra. Our theoretical models are then applied to reveal intramolecular interactions of the species on an orbital base, using DSA. Valence orbitals of L ‐phenylalanine can be essentially deduced into contributions from its fragments such as phenyl and alaninyl as well as their interactions. The fragment orbitals inherit properties of their parent species in energy and shape (ie., MDs). Phenylalanine orbitals show strong bonding in the energy range of 14‐20 eV, rather than outside of this region. This study presents a competent orbital based fragments‐in‐molecules picture in the valence space, which supports the fragment molecular orbital picture and building block principle in valence space. The optimized structures of the molecules are represented using the recently developed interactive 3D‐PDF technique. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011     

Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs)

We present results of molecular dynamics simulations of fully hydrated DMPC bilayers performed on graphics processing units (GPUs) using current state-of-the-art non-polarizable force fields and a local GPU-enabled molecular dynamics code named FEN ZI. We treat the conditionally convergent electrostatic interaction energy exactly using the particle mesh Ewald method (PME) for solution of Poisson's Equation for the electrostatic potential under periodic boundary conditions. We discuss elements of our implementation of the PME algorithm on GPUs as well as pertinent performance issues. We proceed to show results of simulations of extended lipid bilayer systems using our program, FEN ZI. We performed simulations of DMPC bilayer systems consisting of 17,004, 68,484, and 273,936 atoms in explicit solvent. We present bilayer structural properties (atomic number densities, electron density profiles), deuterium order parameters (S(CD)), electrostatic properties (dipole potential, water dipole moments), and orientational properties of water. Predicted properties demonstrate excellent agreement with experiment and previous all-atom molecular dynamics simulations. We observe no statistically significant differences in calculated structural or electrostatic properties for different system sizes, suggesting the small bilayer simulations (less than 100 lipid molecules) provide equivalent representation of structural and electrostatic properties associated with significantly larger systems (over 1000 lipid molecules). We stress that the three system size representations will have differences in other properties such as surface capillary wave dynamics or surface tension related effects that are not probed in the current study. The latter properties are inherently dependent on system size. This contribution suggests the suitability of applying emerging GPU technologies to studies of an important class of biological environments, that of lipid bilayers and their associated integral membrane proteins. We envision that this technology will push the boundaries of fully atomic-resolution modeling of these biological systems, thus enabling unprecedented exploration of meso-scale phenomena (mechanisms, kinetics, energetics) with atomic detail at commodity hardware prices.     

Protective Effect of Withania somnifera and Cardiospermum halicacabum Extracts Against Collagenolytic Degradation of Collagen

The irreversible destruction of extracellular matrix (ECM) such as cartilage, tendon, and bone that comprise synovial joints is the hallmark of both rheumatoid arthritis and osteoarthritis by over-expression of matrix metalloproteinase (MMP)-collagenases. We report herein the detailed study on the inhibitory effects of Withania somnifera extract (WSE) and Cardiospermum halicacabum extract (CHE) on Clostridium histolyticum collagenase (ChC) activity against the degradation of the ECM component of bovine Achilles tendon type I collagen by hydroxyproline assay method. Interaction of WSE and CHE with ChC exhibited 71% and 88% inhibition, respectively, to the collagenolytic activity of ChC against collagen degradation, and the inhibition was found to be concentration-dependent. The inhibition kinetics of ChC by both the extracts has been deduced from the extent of hydrolysis of N-[3-(2-furyl) acryloyl]-Leu-Gly-Pro-Ala. Both WSE and CHE are provided competitive and mixed type inhibition on ChC activity, respectively. Circular dichroism studies of ChC on treatment with WSE and CHE revealed changes in the secondary structure of collagenase. These results suggest that the WSE and CHE facilitated collagen stabilization through collagenase inhibition.     

Induction and Purification by Three-Phase Partitioning of Aryl Alcohol Oxidase (AAO) from <Emphasis Type="Italic">Pleurotus ostreatus</Emphasis>

Aryl alcohol oxidase (AAO) is an extracellular flavoenzyme involved in lignin degradation by white rot fungi. Screening of lignolytic and AAO activity from twenty different fungal species were carried out. Among them, seven species showed lignolytic activity and three of them (Pleurotus ostreatus, Pleurotus eous, and Pleurotus platypus) were found to be AAO positive. Maximal AAO activity was observed in batch cultures of P. ostreatus and was found to be induced by aromatic amino acids and aryl alcohols up to a level of 289 U/l. Purification of AAO was carried out by three-phase partitioning (TPP). The 67 kDa enzyme was purified up to 10.19-fold by TPP with an overall recovery of 10.95%. Optimum pH and temperature for P. ostreatus AAO activity was found to be around 6 and 40 °C, respectively. From the LB plot, K _m value of AAO for oxidizing veratryl alcohol was determined to be 0.6 mM. Results of the study indicate that P. ostreatus is the best producers of AAO, and they could be employed as promising fungal species for biotechnological applications.