Atomic and electronic structure studies of nano-structured systems : Carbon and related materials

Modeling in the framework of density functional theory has been conducted on carbon nanotubes and graphene nano-structures. The results have been extended to non-carbon systems such as boron nanostructures. Computational studies are complemented by experimental methods to refine the structural models and obtain a better understanding of the electronic structure. It is observed that the zigzag edged bilayered graphene nanoribbons are highly unstable as compared to their armchair counterparts. A novel approach has been proposed for the patterning of chirality/diameter controlled single walled carbon nanotubes. Nanotube formation is found to be assisted by edge ripples along with the intrinsic edge reactivity of different types of bilayered GNRs. The effect of bundling on the electronic structure of single walled carbon nanotubes in zigzag single walled carbon nanotubes has been studied. Hydrostatic pressure effects were examined on bundled single walled carbon nanotubes. Nanotubes with chiral indices (3n + 3, 3n + 3) acquire hexagonal cross-sections on application of hydrostatic pressures. The formation of a novel quasi two-dimensional phase of carbon during hydrostatic compression of small and large nanotubes under extreme conditions of pressure is modeled and is understood to be dictated by breaking of symmetry during compression. Nanoscale materials with anisotropic compressibility do not exhibit symmetric compression as in bulk materials. Structural stability of boron nanoribbons derived from \u27α-sheet\u27 and reconstructed {1221} sheets was studied. Antiaromatic instabilities were found to destabilize nanoribbons constructed from reconstructed {1221} sheets when compared to those obtained from the \u27α-sheet\u27. The stability of the nanoribbons was found to increase with increasing width and increase in the hole density (η) of the boron nanoribbons. The study of electronic structure reveals the presence of semiconducting nanostructures. The presence of nanoscale crystalline domains due to random functionalization has made it difficult to resolve the chemical structure of graphene oxide and it remains a much debated topic to date. A combination of analytical, spectroscopic and density functional techniques have been used to determine the structure and properties of such nano materials. Graphene oxide has unusual exotic properties and belongs to this class of materials. Investigations reveal that the chemical structure of graphene oxide can be visualized as puckered graphene sheets linked by oxygen atoms. Density functional theory has been used to calculate the site projected partial density of states for carbon and oxygen atoms involved in different types of bonding. A comparison of these simulations with carbon and oxygen K-edge absorption spectra has led to an understanding of the basic electronic structure of this material

Antibiotic susceptibility pattern of extended spectrum β-lactamase ESBL producing gram negative bacilli in a tertiary care teaching hospital, Bareilly, India

Background: The increasing prevalence of infections caused by antibiotic-resistant bacteria makes empirical treatment of these infections difficult. Resistance to a wide variety of common antimicrobials has made the proliferation of extended spectrum β-lactamase (ESBL) producing strains a serious global health concern that has complicated treatment strategies and is very alarming. This study was undertaken to identify ESBL production in various gram negative bacilli isolated and to further study the antibiogram of ESBL producers and their contribution towards anti-microbial resistance.Methods: A total of 2008 samples were taken and studied for positive bacterial growth. Presence of ESBL positivity was detected using Kirby-Bauer sensitivity testing method and their antibiogram was studied. Data was analysed using IBM SPSS version 20. Chi-square test was applied wherever applicable to check the significant difference among the different groups. p value of ≤0.05 was considered to be significant.Results: A total of 2008 samples were studied. Out of which 655 gave positive bacterial growth and amongst these 312 were ESBL producers. Resistance to multiple classes of antibiotics was observed among ESBL producers and mostly imipenem, colistin and polymyxin B were the antibiotics which were sensitive to most of the strains.Conclusions: The frequency of ESBL producing strains among clinical isolates has been steadily increasing. Advance drug resistance surveillance and development of newer antibiotics is necessary to guide the appropriate and judicious antibiotic use

Instabilities in a compressible hyperelastic cylindrical channel due to internal pressure and external constraints

Pressurised cylindrical channels made of soft materials are ubiquitous in biological systems, soft robotics, and metamaterial designs. In this paper, we study large deformation of a long, thick-walled, and compressible hyperelastic cylindrical channel under internal pressure. The applied pressure can lead to elastic bifurcations along the axial or circumferential direction. Incremental theory is used to derive the partial differential equations that govern the bifurcation behaviour of the cylindrical channel. Two cases of boundary conditions on the outer surface of the cylinder, namely, free and constrained are studied to understand their influence on the buckling behaviour. The derived equations are solved numerically using the compound matrix method to evaluate the critical pressure. The effects of the thickness of the cylinder and the compressibility of the material on the critical pressure are investigated for both the boundary conditions. The results reveal that for an isotropic material, the bifurcation occurs along the axial direction of the cylinder at lower critical pressure compared to the circumferential direction for all cases considered. Finally, we demonstrate the tailorability of bifurcation behaviour of the cylinder by adding reinforcements along the length of cylinder. The anisotropic hyperelastic material behaviour for triggering the bifurcation in the circumferential direction is studied by varying the material parameters.Comment: 27 pages, 14 figure

Withaferin A inhibits lysosomal activity to block autophagic flux and induces apoptosis via energetic impairment in breast cancer cells

Withaferin A (WFA), a steroidal lactone, negatively regulates breast cancer growth however, its mechanisms of action remain largely elusive. We found that WFA blocks autophagy flux and lysosomal proteolytic activity in breast cancer cells. WFA increases accumulation of autophagosomes, LC3B-II-conversion, expression of autophagy-related proteins and autophagosome/lysosome fusion. Autolysosomes display the characteristics of acidic compartments in WFA-treated cells; however, the protein degradation activity of lysosomes is inhibited. Blockade of autophagic flux reduces the recycling of cellular fuels leading to insufficient substrates for tricarboxylic acid (TCA) cycle and impaired oxidative phosphorylation. WFA decreases expression and phosphorylation of LDHA, the key enzyme that catalyzes pyruvate-to-lactate conversion, reduces ATP levels and increases AMPK activation. AMPK-inhibition abrogates while AMPK-activation potentiates WFA's effect. WFA and 2-deoxyglucose combination elicits synergistic inhibition of breast cancer cells. Genetic-knockout of BECN1 and ATG7 fails to rescue cells from WFA-treatment; in contrast, addition of methyl pyruvate to supplement TCA cycle protects WFA-treated cells. Together, these results implicate that WFA is a potent lysosomal inhibitor; energetic impairment is required for WFA-induced apoptosis and growth-inhibition and combining WFA and 2DG is a promising therapeutic strategy for breast cancer

Optimasi Portofolio Resiko Menggunakan Model Markowitz MVO Dikaitkan dengan Keterbatasan Manusia dalam Memprediksi Masa Depan dalam Perspektif Al-Qur`an

Risk portfolio on modern finance has become increasingly technical, requiring the use of sophisticated mathematical tools in both research and practice. Since companies cannot insure themselves completely against risk, as human incompetence in predicting the future precisely that written in Al-Quran surah Luqman verse 34, they have to manage it to yield an optimal portfolio. The objective here is to minimize the variance among all portfolios, or alternatively, to maximize expected return among all portfolios that has at least a certain expected return. Furthermore, this study focuses on optimizing risk portfolio so called Markowitz MVO (Mean-Variance Optimization). Some theoretical frameworks for analysis are arithmetic mean, geometric mean, variance, covariance, linear programming, and quadratic programming. Moreover, finding a minimum variance portfolio produces a convex quadratic programming, that is minimizing the objective function ðð¥with constraintsð ð 𥠥 ðandð´ð¥ = ð. The outcome of this research is the solution of optimal risk portofolio in some investments that could be finished smoothly using MATLAB R2007b software together with its graphic analysis

Search for supersymmetry in events with one lepton and multiple jets in proton-proton collisions at root s=13 TeV

Peer reviewe

Measurement of the top quark mass using charged particles in pp collisions at root s=8 TeV

Peer reviewe