Novel and efficient protocol for the syntheses of N-1 substituted thiohydantoin and a bicyclothiohydantoin under solvent-free conditions

A novel approach for the synthesis of N-1 substituted thiohydantoin has been developed to give quantitative yields of the desired products. The efficient synthesis of bis-thiohydantoin derivative and bicyclothiohydantoin has extended scope and applicability of present method. Solvent-free conditions and very easy work-up procedure make the reaction convenient and eco-friendly. All the products were characterized by spectroscopic techniques and elemental analysis, and finally the structure of representative ;compound was also confirmed by X-ray crystallography. (C) 2012 Elsevier Ltd. All rights reserved.

Bending of metal-filled carbon nanotube under electron beam irradiation

Electron beam irradiation induced, bending of Iron filled, multiwalled carbon nanotubes is reported. Bending of both the carbon nanotube and the Iron contained within the core was achieved using two approaches with the aid of a high resolution electron microscope (HRTEM). In the first approach, bending of the nanotube structure results in response to the irradiation of a pristine kink defect site, while in the second approach, disordered sites induce bending by focusing the electron beam on the graphite walls. The HRTEM based in situ observations demonstrate the potential for using electron beam irradiation to investigate and manipulate the physical properties of confined nanoscale structures. Copyright 2012 Author(s). This article is distributed under a Creative Commons Attribution 3.0 Unported License. doi:10.1063/1.3688083]

Residual strength evaluation of concrete structural components under fatigue loading

This paper presents methodologies for residual strength evaluation of concrete structural components using linear elastic and nonlinear fracture mechanics principles. The effect of cohesive forces due to aggregate bridging has been represented mathematically by employing tension softening models. Various tension softening models such as linear, bilinear, trilinear, exponential and power curve have been described with appropriate expressions. These models have been validated by predicting the remaining life of concrete structural components and comparing with the corresponding experimental values available in the literature. It is observed that the predicted remaining life by using power model and modified bi-linear model is in good agreement with the corresponding experimental values. Residual strength has also been predicted using these tension softening models and observed that the predicted residual strength is in good agreement with the corresponding analytical values in the literature. In general, it is observed that the variation of predicted residual moment with the chosen tension softening model follows the similar trend as in the case of remaining life. Linear model predicts large residual moments followed by trilinear, bilinear and power models.

Reactivity of Bispropargyl Sulfones under Basic Conditions: Interplay Between Garratt-Braverman and Schmittel/Myers-Saito Cyclization Pathway

The preference for GarrattBraverman (GB) over MyersSaito (MS) and Schmittel (SCM) cyclizations has recently been demonstrated in sulfones capable of undergoing all three of the processes. As the GB cyclization is a self-quenching process, there is a need to change the selectivity to the non-self-quenching MS or SCM pathway so as to enhance the DNA-cleaving efficiency that operates through the radical-mediated process. Herein we report a conformational constraint-based strategy developed by using computations (M06-2X/6-31+G*) to switch the selectivity from GB to MS/SCM pathway which also results in greater DNA-cleavage activity. The preference for GB could be brought back by easing the constraint with the help of spacers.

Endurance of Nafion-composite membranes in PEFCs operating at elevated temperature under low relative-humidity

PEFCs employing Nafion-silica (Nafion-SiO2) and Nafion-mesoporous zirconium phosphate (Nafion-MZP) composite membranes are subjected to accelerated-durability test at 100 degrees C and 15% relative humidity (RH) at open-circuit voltage (OCV) for 50 h and performance compared with the PEFC employing pristine Nafion-1135 membrane. PEFCs with composite membranes sustain the operating voltage better with fluoride-ion-emission rate at least an order of magnitude lower than PEFC with pristine Nafion-1135 membrane. Reduced gas-crossover, fast fuel-cell-reaction kinetics and superior performance of the PEFCs with Nafion-SiO2 and Nafion-MZP composite membranes in relation to the PEFC with pristine Nafion-1135 membrane support the long-term operational usage of the former in PEFCs. An 8-cell PEFC stack employing Nafion-SiO2 composite membrane is also assembled and successfully operated at 60 degrees C without external humidification.

Ultrasonic performance of the PVDF thin film sensors under thermal fatigue

In the present work, the ultrasonic strain sensing performance of the large area PVDF thin film subjected to the thermal fatigue is studied. The PVDF thin film is prepared using hot press and the piezoelectric phase (beta-phase) has been achieved by thermo-mechanical treatment and poling under DC field. The sensors used in aircrafts for structural health monitoring applications are likely to be subjected to a wide range of temperature fluctuations which may create thermal fatigue in both aircraft structures and in the sensors. Thus, the sensitivity of the PVDF sensors for thermal fatigue needs to be studied for its effective implementation in the structural health monitoring applications. In present work, the fabricated films have been subjected to certain number of thermal cycles which serve as thermal fatigue and are further tested for ultrasonic strain sensitivity at various different frequencies. The PVDF sensor is bonded on the beam specimen at one end and the ultrasonic guided waves are launched with a piezoelectric wafer bonded on another end of the beam. Sensitivity of PVDF sensor in terms of voltage is obtained for increasing number of thermal cycles. Sensitivity variation is studied at various different extent of thermal fatigue. The variation of the sensor sensitivity with frequency due to thermal fatigue at different temperatures is also investigated. The present investigation shows an appropriate temperature range for the application of the PVDF sensors in structural health monitoring.

Prediction of inter-laminar stresses in composite honeycomb sandwich panels under mechanical loading using Variational Asymptotic Method

This work focuses on the formulation of an asymptotically correct theory for symmetric composite honeycomb sandwich plate structures. In these panels, transverse stresses tremendously influence design. The conventional 2-D finite elements cannot predict the thickness-wise distributions of transverse shear or normal stresses and 3-D displacements. Unfortunately, the use of the more accurate three-dimensional finite elements is computationally prohibitive. The development of the present theory is based on the Variational Asymptotic Method (VAM). Its unique features are the identification and utilization of additional small parameters associated with the anisotropy and non-homogeneity of composite sandwich plate structures. These parameters are ratios of smallness of the thickness of both facial layers to that of the core and smallness of 3-D stiffness coefficients of the core to that of the face sheets. Finally, anisotropy in the core and face sheets is addressed by the small parameters within the 3-D stiffness matrices. Numerical results are illustrated for several sample problems. The 3-D responses recovered using VAM-based model are obtained in a much more computationally efficient manner than, and are in agreement with, those of available 3-D elasticity solutions and 3-D FE solutions of MSC NASTRAN. (c) 2012 Elsevier Ltd. All rights reserved.

Wave propagation in single-walled carbon nanotube under longitudinal magnetic field using nonlocal Euler-Bernoulli beam theory

In the present work, the effect of longitudinal magnetic field on wave dispersion characteristics of equivalent continuum structure (ECS) of single-walled carbon nanotubes (SWCNT) embedded in elastic medium is studied. The ECS is modelled as an Euler-Bernoulli beam. The chemical bonds between a SWCNT and the elastic medium are assumed to be formed. The elastic matrix is described by Pasternak foundation model, which accounts for both normal pressure and the transverse shear deformation. The governing equations of motion for the ECS of SWCNT under a longitudinal magnetic field are derived by considering the Lorentz magnetic force obtained from Maxwell's relations within the frame work of nonlocal elasticity theory. The wave propagation analysis is performed using spectral analysis. The results obtained show that the velocity of flexural waves in SWCNTs increases with the increase of longitudinal magnetic field exerted on it in the frequency range: 0-20 THz. The present analysis also shows that the flexural wave dispersion in the ECS of SWCNT obtained by local and nonlocal elasticity theories differ. It is found that the nonlocality reduces the wave velocity irrespective of the presence of the magnetic field and does not influences it in the higher frequency region. Further it is found that the presence of elastic matrix introduces the frequency band gap in flexural wave mode. The band gap in the flexural wave is found to independent of strength of the longitudinal magnetic field. (C) 2011 Elsevier Inc. All rights reserved.

A full-length bifunctional protein involved in c-di-GMP turnover is required for long-term survival under nutrient starvation in Mycobacterium smegmatis

The bacterial second messenger cyclic diguanosine monophosphate (c-di-GMP) plays an important role in a variety of cellular functions, including biofilm formation, alterations in the cell surface, host colonization and regulation of bacterial flagellar motility, which enable bacteria to survive changing environmental conditions. The cellular level of c-di-GMP is regulated by a balance between opposing activities of diguanylate cyclases (DGCs) and cognate phosphodiesterases (PDE-As). Here, we report the presence and importance of a protein, MSDGC-1 (an orthologue of Rv1354c in Mycobacterium tuberculosis), involved in c-di-GMP turnover in Mycobacterium smegmatis. MSDGC-1 is a multidomain protein, having GAF, GGDEF and EAL domains arranged in tandem, and exhibits both c-di-GMP synthesis and degradation activities. Most other proteins containing GGDEF and EAL domains have been demonstrated to have either DGC or PDE-A activity. Unlike other bacteria, which harbour several copies of the protein involved in c-di-GMP turnover, M. smegmatis has a single genomic copy, deletion of which severely affects long-term survival under conditions of nutrient starvation. Overexpression of MSDGC-1 alters the colony morphology and growth profile of M. smegmatis. In order to gain insights into the regulation of the c-di-GMP level, we cloned individual domains and tested their activities. We observed a loss of activity in the separated domains, indicating the importance of full-length MSDGC-1 for controlling bifunctionality.

Threshold voltage modeling under size quantization for ultra-thin silicon double-gate metal-oxide-semiconductor field-effect transistor

We report on the threshold voltage modeling of ultra-thin (1 nm-5 nm) silicon body double-gate (DG) MOSFETs using self-consistent Poisson-Schrodinger solver (SCHRED). We define the threshold voltage (V th) of symmetric DG MOSFETs as the gate voltage at which the center potential (Φ c) saturates to Φ c (s a t), and analyze the effects of oxide thickness (t ox) and substrate doping (N A) variations on V th. The validity of this definition is demonstrated by comparing the results with the charge transition (from weak to strong inversion) based model using SCHRED simulations. In addition, it is also shown that the proposed V t h definition, electrically corresponds to a condition where the inversion layer capacitance (C i n v) is equal to the oxide capacitance (C o x) across a wide-range of substrate doping densities. A capacitance based analytical model based on the criteria C i n v C o x is proposed to compute Φ c (s a t), while accounting for band-gap widening. This is validated through comparisons with the Poisson-Schrodinger solution. Further, we show that at the threshold voltage condition, the electron distribution (n(x)) along the depth (x) of the silicon film makes a transition from a strong single peak at the center of the silicon film to the onset of a symmetric double-peak away from the center of the silicon film. © 2012 American Institute of Physics.

Dynamical configurations and bistability of helical nanostructures under external torque

We study the motion of a ferromagnetic helical nanostructure under the action of a rotating magnetic field. A variety of dynamical configurations were observed that depended strongly on the direction of magnetization and the geometrical parameters, which were also confirmed by a theoretical model, based on the dynamics of a rigid body under Stokes flow. Although motion at low Reynolds numbers is typically deterministic, under certain experimental conditions the nanostructures showed a surprising bistable behavior, such that the dynamics switched randomly between two configurations, possibly induced by thermal fluctuations. The experimental observations and the theoretical results presented in this paper are general enough to be applicable to any system of ellipsoidal symmetry under external force or torque.

Under-representation of intrinsic terminators across bacterial genomic islands: Rho as a principal regulator of xenogenic DNA expression

Two transcription termination mechanisms - intrinsic and Rho-dependent - have evolved in bacteria. The Rho factor occurs in most bacterial lineages, and has been hypothesized to play a global regulatory role. Genome-wide studies using microarray, 2D-gel electrophoresis and ChIP-chip provided evidence that Rho serves to silence transcription from horizontally acquired genes and prophages in Escherichia coli K-12, implicating the factor to be a part of the ``cellular immune mechanism'' protecting against deleterious phages and aberrant gene expression from acquired xenogenic DNA. We have investigated this model by adopting an alternate in silico approach and have extended the study to other species. Our analysis shows that several genomic islands across diverse phyla have under-representation of intrinsic terminators, similar to that experimentally observed in E. coli K-12. This implies that Rho-dependent termination is the predominant process operational in these islands and that silencing of foreign DNA is a conserved function of Rho. From the present analysis, it is evident that horizontally acquired islands have lost intrinsic terminators to facilitate Rho-dependent termination. These results underscore the importance of Rho as a conserved, genome-wide sentinel that regulates potentially toxic xenogenic DNA. (C) 2012 Elsevier B.V. All rights reserved.

Performances of single and two-stage pulse tube cryocoolers under different vacuum levels with and without thermal radiation shields

Single and two-stage Pulse Tube Cryocoolers (PTC) have been designed, fabricated and experimentally studied. The single stage PTC reaches a no-load temperature of similar to 29 K at its cold end, the two-stage PTC reaches similar to 2.9 K in its second stage cold end and similar to 60 K in its first stage cold end. The two-stage Pulse Tube Cryocooler provides a cooling power of similar to 250 mW at 4.2 K. The single stage system uses stainless steel meshes along with Pb granules as its regenerator materials, while the two-stage PTC uses combinations of Pb along with Er3Ni/HoCu2 as the second stage regenerator materials. Normally, the above systems are insulated by thermal radiation shields and mounted inside a vacuum chamber which is maintained at high vacuum. To evaluate the performance of these systems in the possible conditions of loss of vacuum with and without radiation shields, experimental studies have been performed. The heat-in-leak under such severe conditions has been estimated from the heat load characteristics of the respective stages. The experimental results are analyzed to obtain surface emissivities and effective thermal conductivities as a function of interspace pressure.