Antitumor and antioxidant status of Terminalia catappa against Ehrlich ascites carcinoma in Swiss albino mice

Objective: The present study was undertaken to evaluate the antitumor and antioxidant status of ethanol extract of Terminalia catappa leaves against Ehrlich ascites carcinoma (EAC) in Swiss albino mice. Materials and Methods: The leaves powder was extracted with Soxhlet apparatus and subjected to hot continuous percolation using ethanol (95% v/v). Tumor bearing animals was treated with 50 and 200 mg/kg of ethanol extract. EAC induced in mice by intraperitoneal injection of EAC cells 1 x 10(6) cells/mice. The study was assed using life span of EAC-bearing hosts, hematological parameters, volume of solid tumor mass and status of antioxidant enzymes such as lipid peroxidation (LPO), reduced glutathione (GSH), superoxide dismutase (SOD) and catalase (CAT) activities. Total phenolics and flavonoids contents from the leaves extract were also determined. Results: Total phenolics and flavonoids contents from the leaves extract were found 354.02 and 51.67 mg/g extract. Oral administration of ethanol extract of T. catappa (50 and 200 mg/kg) increased the life span (27.82% and 60.59%), increased peritoneal cell count (8.85 +/- 0.20 and 10.37 +/- 0.26) and significantly decreased solid tumor mass (1.16 +/- 0.14 cm(2)) at 200 mg/kg as compared with EAC-tumor bearing mice (P < 0.01). Hematological profile including red blood cell count, white blood cell count, hemoglobin (11.91 +/- 0.47 % g) and protein estimation were found to be nearly normal levels in extract-treated mice compared with tumor bearing control mice. Treatment with T. catappa significantly decreased levels of LPO and GSH, and increased levels of SOD and CAT activity (P < 0.01). Conclusion: T. catappa exhibited antitumor effect by modulating LPO and augmenting antioxidant defense systems in EAC bearing mice. The phenolic and flavonoid components in this extract may be responsible for antitumor activity.

Reaction dynamics under confinement: an exact path integral treatment of a two-stage model of stochastic gene expression

Gene expression in living systems is inherently stochastic, and tends to produce varying numbers of proteins over repeated cycles of transcription and translation. In this paper, an expression is derived for the steady-state protein number distribution starting from a two-stage kinetic model of the gene expression process involving p proteins and r mRNAs. The derivation is based on an exact path integral evaluation of the joint distribution, P(p, r, t), of p and r at time t, which can be expressed in terms of the coupled Langevin equations for p and r that represent the two-stage model in continuum form. The steady-state distribution of p alone, P(p), is obtained from P(p, r, t) (a bivariate Gaussian) by integrating out the r degrees of freedom and taking the limit t -> infinity. P(p) is found to be proportional to the product of a Gaussian and a complementary error function. It provides a generally satisfactory fit to simulation data on the same two-stage process when the translational efficiency (a measure of intrinsic noise levels in the system) is relatively low; it is less successful as a model of the data when the translational efficiency (and noise levels) are high.

Characterization, charge transport and magnetic properties of multi-walled carbon nanotube-polyvinyl chloride nanocomposites

Multi-walled carbon nanotube (MWCNT)-polyvinyl chloride (PVC) nanocomposites, with MWCNT loading up to 44.4 weight percent (wt%), were prepared by the solvent mixing and casting method. Electron microscopy indicates high degree of dispersion of MWCNT in PVC matrix, achieved by ultrasonication without using any surfactants. Thermogravimetric analysis showed a significant monotonic enhancement in the thermal stability of nanocomposites by increasing the wt% of MWCNT. Electrical conductivity of nanocomposites followed the classical percolation theory and the conductivity prominently improved from 10(-7) to 9 S/cm as the MWCNT loading increased from 0.1 to 44.4 wt%. Low value of electrical percolation threshold similar to 0.2 wt% is achieved which is attributed to high aspect ratio and homogeneous dispersion of MWCNT in PVC. The analysis of the low temperature electrical resistivity data shows that sample of 1.9 wt% follows three dimensional variable range hopping model whereas higher wt% nanocomposite samples follow power law behavior. The magnetization versus applied field data for both bulk MWCNTs and nanocomposite of 44.4 wt% display ferromagnetic behavior with enhanced coercivities of 1.82 and 1.27 kOe at 10 K, respectively. The enhancement in coercivity is due to strong dipolar interaction and shape anisotropy of rod-shaped iron nanoparticles. (C) 2013 Elsevier B.V. All rights reserved.

Filling-in Void and Sparse Regions in Protein Sequence Space by Protein-Like Artificial Sequences Enables Remarkable Enhancement in Remote Homology Detection Capability

Protein functional annotation relies on the identification of accurate relationships, sequence divergence being a key factor. This is especially evident when distant protein relationships are demonstrated only with three-dimensional structures. To address this challenge, we describe a computational approach to purposefully bridge gaps between related protein families through directed design of protein-like ``linker'' sequences. For this, we represented SCOP domain families, integrated with sequence homologues, as multiple profiles and performed HMM-HMM alignments between related domain families. Where convincing alignments were achieved, we applied a roulette wheel-based method to design 3,611,010 protein-like sequences corresponding to 374 SCOP folds. To analyze their ability to link proteins in homology searches, we used 3024 queries to search two databases, one containing only natural sequences and another one additionally containing designed sequences. Our results showed that augmented database searches showed up to 30% improvement in fold coverage for over 74% of the folds, with 52 folds achieving all theoretically possible connections. Although sequences could not be designed between some families, the availability of designed sequences between other families within the fold established the sequence continuum to demonstrate 373 difficult relationships. Ultimately, as a practical and realistic extension, we demonstrate that such protein-like sequences can be ``plugged-into'' routine and generic sequence database searches to empower not only remote homology detection but also fold recognition. Our richly statistically supported findings show that complementary searches in both databases will increase the effectiveness of sequence-based searches in recognizing all homologues sharing a common fold. (C) 2013 Elsevier Ltd. All rights reserved.

Reduced graphene oxide induced phase miscibility in polystyrene-poly(vinyl methyl ether) blends

Graphene oxide and reduced graphene oxide (r-GO) were synthesized by wet chemistry and the effect of r-GO in PS-PVME blends was investigated here with respect to phase miscibility, intermolecular cooperativity in the glass transition region and concentration fluctuation variance by shear rheology and dielectric spectroscopy. The spinodal decomposition temperature (T-s) and correlation length were evaluated from isochronal temperature scans in shear rheology. The r-GO is shown to induce miscibility in the blends, which may lead to increased local heterogeneity in the blends, though the length of cooperatively re-arranged regions (xi) at T-g is more or less unaltered. The evolution of the phase morphology as a function of temperature was assessed using polarized optical microscopy (POM). In the case of the 60/40 PS-PVME blends with 0.25 wt% r-GO, apart from significant refinement in the morphology, retention of the interconnected ligaments of PVME was observed, even in the late stages of phase separation suggesting that the coarsening of the phase morphology has been slowed down in the presence of r-GO. This phenomenon was also supported by AFM. Surface enrichment of PVME, owing to its lower surface tension, in the demixed samples was supported by XPS scans. The interconnected network of PVME has resulted in significantly higher permittivity in the bi-phasic blends, although the concentration of r-GO is below the percolation threshold.

Raman signatures of intermediate phase in quaternary Ge15Te80 (-) xIn5Agx glasses

Micro-Raman studies are conducted on as-quenched and annealed Ge15Te80 -_xIn5Agx glasses to probe the structural network and its evolution with composition. These studies reveal the presence of tetrahedral GeTe4 structural units in as-quenched samples. Specific signatures of the intermediate phase (IP) are observed in the composition dependence of Raman frequencies and corresponding intensities of different modes in the composition range, 8 <= x <= 16. In addition, the Raman peak positions are found to shift with silver doping. Apart from the Raman results, the compositional dependence of density, molar volume and thermal diffusivity, observed in the present study, confirms the presence of the intermediate phase. In thermally annealed samples, a unique variation of Raman wave-numbers in the intermediate region is observed due to the retention of some of the local structure even after the sample is crystallized. The observed Raman peaks are attributed to crystalline tellurium and silver lattice vibrational modes. Based on our present and earlier studies, we propose the occurrence of three thresholds in Ge15Te80 - xIn5Agx glasses, namely percolation of rigidity, percolation of stress and the onset of chemical phase separation on a nanoscale at 8%, 16% and 20% of silver concentration respectively. (C) 2014 Elsevier B.V. All rights reserved.

Fluctuating micro-heterogeneity in water-tert-butyl alcohol mixtures and lambda-type divergence of the mean cluster size with phase transition-like multiple anomalies

Water-tert-butyl alcohol (TBA) binary mixture exhibits a large number of thermodynamic and dynamic anomalies. These anomalies are observed at surprisingly low TBA mole fraction, with x(TBA) approximate to 0.03-0.07. We demonstrate here that the origin of the anomalies lies in the local structural changes that occur due to self-aggregation of TBA molecules. We observe a percolation transition of the TBA molecules at x(TBA) approximate to 0.05. We note that ``islands'' of TBA clusters form even below this mole fraction, while a large spanning cluster emerges above that mole fraction. At this percolation threshold, we observe a lambda-type divergence in the fluctuation of the size of the largest TBA cluster, reminiscent of a critical point. Alongside, the structure of water is also perturbed, albeit weakly, by the aggregation of TBA molecules. There is a monotonic decrease in the tetrahedral order parameter of water, while the dipole moment correlation shows a weak nonlinearity. Interestingly, water molecules themselves exhibit a reverse percolation transition at higher TBA concentration, x(TBA) approximate to 0.45, where large spanning water clusters now break-up into small clusters. This is accompanied by significant divergence of the fluctuations in the size of largest water cluster. This second transition gives rise to another set of anomalies around. Both the percolation transitions can be regarded as manifestations of Janus effect at small molecular level. (C) 2014 AIP Publishing LLC.

Healing time for the growth of thin films on patterned substrates

The healing times for the growth of thin films on patterned substrates are studied using simulations of two discrete models of surface growth: the Family model and the Das Sarma-Tamborenea (DT) model. The healing time, defined as the time at which the characteristics of the growing interface are ``healed'' to those obtained in growth on a flat substrate, is determined via the study of the nearest-neighbor height difference correlation function. Two different initial patterns are considered in this work: a relatively smooth tent-shaped triangular substrate and an atomically rough substrate with singlesite pillars or grooves. We find that the healing time of the Family and DT models on aL x L triangular substrate is proportional to L-z, where z is the dynamical exponent of the models. For the Family model, we also analyze theoretically, using a continuum description based on the linear Edwards-Wilkinson equation, the time evolution of the nearest-neighbor height difference correlation function in this system. The correlation functions obtained from continuum theory and simulation are found to be consistent with each other for the relatively smooth triangular substrate. For substrates with periodic and random distributions of pillars or grooves of varying size, the healing time is found to increase linearly with the height (depth) of pillars (grooves). We show explicitly that the simulation data for the Family model grown on a substrate with pillars or grooves do not agree with results of a calculation based on the continuum Edwards-Wilkinson equation. This result implies that a continuum description does not work when the initial pattern is atomically rough. The observed dependence of the healing time on the substrate size and the initial height (depth) of pillars (grooves) can be understood from the details of the diffusion rule of the atomistic model. The healing time of both models for pillars is larger than that for grooves with depth equal to the height of the pillars. The calculated healing time for both Family and DT models is found to depend on how the pillars and grooves are distributed over the substrate. (C) 2014 Elsevier B.V. All rights reserved.

Wrinkling of Atomic Planes in Ultrathin Au Nanowires

A detailed understanding of structure and stability of nanowires is critical for applications. Atomic resolution imaging of ultrathin single crystalline Au nanowires using aberration-corrected microscopy reveals an intriguing relaxation whereby the atoms in the close-packed atomic planes normal to the growth direction are displaced in the axial direction leading to wrinkling of the (111) atomic plane normal to the wire axis. First-principles calculations of the structure of such nanowires confirm this wrinkling phenomenon, whereby the close-packed planes relax to form saddle-like surfaces. Molecular dynamics studies of wires with varying diameters and different bounding surfaces point to the key role of surface stress on the relaxation process. Using continuum mechanics arguments, we show that the wrinkling arises due to anisotropy in the surface stresses and in the elastic response, along with the divergence of surface-induced bulk stress near the edges of a faceted structure. The observations provide new understanding on the equilibrium structure of nanoscale systems and could have important implications for applications in sensing and actuation.

Conductivity noise study of the insulator-metal transition and phase coexistence in epitaxial samarium nickelate thin films

Interaction between the lattice and the orbital degrees of freedom not only makes rare-earth nickelates unusually ``bad metal,'' but also introduces a temperature-driven insulator-metal phase transition. Here we investigate this insulator-metal phase transition in thin films of SmNiO3 using the slow time-dependent fluctuations (noise) in resistivity. The normalized magnitude of noise is found to be extremely large, being nearly eight orders of magnitude higher than thin films of common disordered metallic systems, and indicates electrical conduction via classical percolation in a spatially inhomogeneous medium. The higher-order statistics of the fluctuations indicate a strong non-Gaussian component of noise close to the transition, attributing the inhomogeneity to the coexistence of the metallic and insulating phases. Our experiment offers insight into the impact of lattice-orbital coupling on the microscopic mechanism of electron transport in the rare-earth nickelates.

Linewidths and line shapes in the vicinity of graphene

It is well known that graphene, by virtue of its pi-cloud delocalization, has a continuum of electronic energy states and thus behaves nearly like a metal. Instances involving quenching of electronic energy excitation in fluorophores placed in the proximity of graphene sheets are well documented. In this paper, we perform theoretical investigations on the broadening of vibrational and electronic transitions in the vicinity of graphene. We find that for CO vibrations in the vicinity of undoped graphene, the broadening at a distance of 5 angstrom is similar to 0.008 cm(-1)((kappa) over tilde = 2, (kappa) over tilde being the effective dielectric constant). In comparison, for electronic transitions, the linewidth is much larger, being of the order of several cm(-1). Also, if the transition dipole were parallel to the graphene sheet, the linewidth would be reduced to half the value for the case where it is perpendicular, an observation which should be easy to check experimentally for electronic transitions. This should be observable for the f - f transitions (which are rather narrow) of Lanthanide complexes placed within a distance of a few nanometers from a graphene sheet. Further the linewidth would have a (distance)(-4) dependence as one varies the distance from graphene. (C) 2014 AIP Publishing LLC.

VIBRATIONAL CHARACTERISTICS OF ZIGZAG, ARMCHAIR AND CHIRAL CANTILEVER SINGLE-WALLED CARBON NANOTUBES

Finite element analysis has been performed to study vibrational characteristics of cantilever single walled carbon nanotubes. Finite element models are generated by specifying the C-C bond rigidities, which are estimated by equating energies from molecular mechanics and continuum mechanics. Bending, torsion, and axial modes are identified based on effective mass for armchair, zigzag and chiral cantilever single walled carbon nanotubes, whose Young's modulus is evaluated from the bending frequency. Empirical relations are provided for frequencies of bending, torsion, and axial modes.

A novel method for studying the buckling of nanotubes considering geometrical imperfections

Buckling of nanotubes has been studied using many methods such as molecular dynamics (MD), molecular mechanics, and continuum-based shell theories. In MD, motion of the individual atoms is tracked under applied temperature and pressure, ensuring a reliable estimate of the material response. The response thus simulated varies for individual nanotubes and is only as accurate as the force field used to model the atomic interactions. On the other hand, there exists a rich literature on the understanding of continuum mechanics-based shell theories. Based on the observations on the behavior of nanotubes, there have been a number of shell theory-based approaches to study the buckling of nanotubes. Although some of these methods yield a reasonable estimate of the buckling stress, investigation and comparison of buckled mode shapes obtained from continuum analysis and MD are sparse. Previous studies show that the direct application of shell theories to study nanotube buckling often leads to erroneous results. The present study reveals that a major source of this error can be attributed to the departure of the shape of the nanotube from a perfect cylindrical shell. Analogous to the shell buckling in the macro-scale, in this work, the nanotube is modeled as a thin-shell with initial imperfection. Then, a nonlinear buckling analysis is carried out using the Riks method. It is observed that this proposed approach yields significantly improved estimate of the buckling stress and mode shapes. It is also shown that the present method can account for the variation of buckling stress as a function of the temperature considered. Hence, this can prove to be a robust method for a continuum analysis of nanosystems taking in the effect of variation of temperature as well.

Cavitation in brittle metallic glasses - Effects of stress state and distributed weak zones

Experimental studies and atomistic simulations have shown that brittle metallic glasses fail by a cavitation mechanism whose origin has been traced to the presence of intrinsic atomic density fluctuations which give rise to weak zones with reduced yield strength. It has been shown recently through continuum analysis that the presence of these zones can lower the cavitation stress considerably under equibiaxial loading. The objective of the present work is to study the effect of the applied stress state on the cavitation behavior of such a heterogeneous plastic solid with distributed weak zones. To this end, 2D plane strain finite element simulations are performed by subjecting a unit cell containing a weak zone to different (biaxiality) stress ratios. The volume fraction and yield strength of the weak zone are varied over a wide range. The results show that unlike in a homogeneous plastic solid, the cavitation stress of the heterogeneous aggregate does not reduce appreciably as the stress ratio decreases from unity when the yield strength of the weak zone is low. It is found that a non-dimensional parameter characterizing the stress state prevailing in the weak zone and its yield properties uniquely control the cavitation stress. The nature of cavitation bifurcation may change from unstable bifurcation to the left at sufficiently low stress ratio to one involving snap cavitation at high stress ratio. (C) 2014 Elsevier Ltd. All rights reserved.

Monopoles, Dirac operator, and index theory for fuzzy SU(3) / (U(1) x U(1))

The intersection of the ten-dimensional fuzzy conifold Y-F(10) with S-F(5) x S-F(5) is the compact eight-dimensional fuzzy space X-F(8). We show that X-F(8) is (the analogue of) a principal U(1) x U(1) bundle over fuzzy SU(3) / U(1) x U(1)) ( M-F(6)). We construct M-F(6) using the Gell-Mann matrices by adapting Schwinger's construction. The space M-F(6) is of relevance in higher dimensional quantum Hall effect and matrix models of D-branes. Further we show that the sections of the monopole bundle can be expressed in the basis of SU(3) eigenvectors. We construct the Dirac operator on M-F(6) from the Ginsparg-Wilson algebra on this space. Finally, we show that the index of the Dirac operator correctly reproduces the known results in the continuum.