Modelling studies on neurodegenerative disease causing triplet repeat sequences d(CGG/GCC) and d(CAG/CTG): Duplexes vs Quadruplexes

Model building and molecular mechanics studies have been carried out to examine the potential structures for d(GGC/GCC)5 and d(CAG/CTG)5 that might relate to their biological function and association with triplet repeat expansion diseases. Model building studies suggested that hairpin and quadruplex structures could be formed with these repeat sequences. Molecular mechanics studies have demonstrated that the hairpin and hairpin dimmer structures of triplet repeat sequences formed by looping out of the two strands are as favourable as the corresponding B-DNA type hetero duplex structures. Further, at high salt condition, Greek key type quadruplex structures are energetically comparable with hairpin dimer and B-DNA type duplex structures. All tetrads in the quadruplex structures are well stacked and provide favourable stacking energy values. Interestingly, in the energy minimized hairpin dimer and Greek key type quadruplex structures, all the bases even in the non-G tetrads are cyclically hydrogen bonded, even though the A, C and T-tetrads were not hydrogen bonded in the starting structures.

''Phase reversal'' of non-resonant microwave absorption in superconducting YBaCuO/CuO powder mixtures

Non-resonant microwave absorption is studied as a function of temperature and composition in superconducting YBa2Cu3O7/CuO ceramic composite samples. In pure YBa2Cu3O7 only normal field dependence of the absorption is observed, where as in composites an anomalous non-monotonic field dependence is seen. The results are explained using an extended resistively shunted junction model and invoking the occurrence of junctions with phase difference psi(0) such that pi/2 < psi(0) < 3 pi/2. Copyright (C) 1996 Elsevier Science Ltd

Stereospecific solid-state NaBH4-promoted reduction of 1-methylpentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8,11-dione

NaBH4 reduction of a cage dione proceeds in a stereospecific fashion to give the endo,endo-diol. This reactivity is related to the crystal structure.

Micromechanical modeling of granular materials: effect of confining pressure on mechanical behavior

This paper reports the effect of confining pressure on the mechanical behavior of granular materials from micromechanical considerations starting from the grain scale level, based on the results of numerically simulated tests on disc assemblages using discrete element modeling (DEM). The two macro parameters which are influenced by the increase in confining pressure are stiffness (increases) and volume change (decreases). The lateral strain coefficient (Poisson's ratio) at the beginning of the test is more or less constant. The angle of internal friction slightly decreases with increase in confining pressure. The numerical results of disc assemblages indicate very clearly a non-linear Mohr-Coulomb failure envelope with increase in confining pressure. The increase in average coordination number and accompanying decrease of fabric anisotropy reduce the shear strength at higher confining pressures. Micromechanical explanations of the macroscopic behavior are presented in terms of the force and fabric anisotropy coefficients. (C) 1999 Elsevier Science Ltd. AII rights reserved.

Machine-tool selection and operation allocation in FMS: solving a fuzzy goal-programming model using a genetic algorithm

The decision-making process for machine-tool selection and operation allocation in a flexible manufacturing system (FMS) usually involves multiple conflicting objectives. Thus, a fuzzy goal-programming model can be effectively applied to this decision problem. The paper addresses application of a fuzzy goal-programming concept to model the problem of machine-tool selection and operation allocation with explicit considerations given to objectives of minimizing the total cost of machining operation, material handling and set-up. The constraints pertaining to the capacity of machines, tool magazine and tool life are included in the model. A genetic algorithm (GA)-based approach is adopted to optimize this fuzzy goal-programming model. An illustrative example is provided and some results of computational experiments are reported.

Synthesis of LiCo1-xNixO2 from a low temperature solution combustion route and characterization

Nickel substituted lithium-cobalt oxides, LiCo1-xNixO2 (0 < x < 0.4), have been synthesized in a very short time by a solution combustion method at 350 degreesC using diformyl hydrazine as a fuel. Pure phases with hexagonal lattice structure have been obtained. These compounds facilitate reversible insertion/extraction of Li+ ions with good discharge capacity between 3.0 and 4.4 V versus Li/Li+. Results of the studies by powder X-ray diffraction, scanning electron microscopy, cyclic voltammetry, galvanostatic charge-discharge cycling and ac impedance measurements are presented. (C) 2002 Elsevier Science B.V. All rights reserved.

Decentralized control of linear multivariable systems

A strongly connected decentralized control system may be made single channel controllable and observable with respect to any channel by decentralized feedbacks. It is noted here that the system example considered by Corfmat and Morse to illustrate this fact is already single channel controllable and observable, with respect to one of the channels. An alternate example which fits into the situation is presented in this item.

Pricing credit derivatives

The financial crisis set off by the default of Lehman Brothers in 2008 leading to disastrous consequences for the global economy has focused attention on regulation and pricing issues related to credit derivatives. Credit risk refers to the potential losses that can arise due to the changes in the credit quality of financial instruments. These changes could be due to changes in the ratings, market price (spread) or default on contractual obligations. Credit derivatives are financial instruments designed to mitigate the adverse impact that may arise due to credit risks. However, they also allow the investors to take up purely speculative positions. In this article we provide a succinct introduction to the notions of credit risk, the credit derivatives market and describe some of the important credit derivative products. There are two approaches to pricing credit derivatives, namely the structural and the reduced form or intensity-based models. A crucial aspect of the modelling that we touch upon briefly in this article is the problem of calibration of these models. We hope to convey through this article the challenges that are inherent in credit risk modelling, the elegant mathematics and concepts that underlie some of the models and the importance of understanding the limitations of the models.

Synthesis and supramolecular assembly of the bifunctional borinic acid 1,2-fcB(OH)](2)

Treatment of the chloro-substituted diboradiferrocene derivative 1 with Me3SiOMe and subsequent hydrolysis resulted in formation of the novel organometallic bis(borinic acid) derivative 3. The assembly of 3 into supramolecular structures via hydrogen bonding and reversible covalent boron-oxygen bond formation was explored. Upon crystallization from acetone or THF one-dimensional chains form in which molecules of 3 alternately serve as hydrogen bond donors and acceptors. The additional OH hydrogens that are not involved in hydrogen bonding within the polymeric chains undergo hydrogen bonding to the solvent molecules. Removal of the solvent was achieved at moderate temperature under high vacuum. While the polymeric chains remain intact, in the absence of the solvent as a hydrogen bond acceptor, short contacts to the Cp rings of neighboring polymer strands lead to a network-like structure. At higher temperatures, further dehydration occurs with formation of B-O-B linkages as confirmed by MALDI-TOF mass spectrometry. Oligomers with up to 15 repeating units (30 ferrocenes) were detected.

Efficient method of moving shadow detection and vehicle classification

Moving shadow detection and removal from the extracted foreground regions of video frames, aim to limit the risk of misconsideration of moving shadows as a part of moving objects. This operation thus enhances the rate of accuracy in detection and classification of moving objects. With a similar reasoning, the present paper proposes an efficient method for the discrimination of moving object and moving shadow regions in a video sequence, with no human intervention. Also, it requires less computational burden and works effectively under dynamic traffic road conditions on highways (with and without marking lines), street ways (with and without marking lines). Further, we have used scale-invariant feature transform-based features for the classification of moving vehicles (with and without shadow regions), which enhances the effectiveness of the proposed method. The potentiality of the method is tested with various data sets collected from different road traffic scenarios, and its superiority is compared with the existing methods. (C) 2013 Elsevier GmbH. All rights reserved.

Proposal for Graphene-Boron Nitride Heterobilayer-Based Tunnel FET

We investigate the gate-controlled direct band-to-band tunneling (BTBT) current in a graphene-boron nitride (G-BN) heterobilayer channel-based tunnel field effect transistor. We first study the imaginary band structure of hexagonal and Bernal-stacked heterobilayers by density functional theory, which is then used to evaluate the gate-controlled current under the Wentzel-Kramers-Brillouin approximation. It is shown that the direct BTBT is probable for a certain interlayer spacing of the G-BN which depends on the stacking orders.

Adsorption study of silica gel particle for improvement in design of adsorption beds used in solar driven cooling units

Simulations using Ansys Fluent 6.3.26 have been performed to look into the adsorption characteristics of a single silica gel particle exposed to saturated humid air streams at Re=108 & 216 and temperature of 300K. The adsorption of the particle has been modeled as a source term in the species and the energy equations using a Linear Driving Force (LDF) equation. The interdependence of the thermal and the water vapor concentration field has been analysed. This work is intended to aid in understanding the adsorption effects in silica gel beds and in their efficient design. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).

Morphological Evolution in Air-Stable Metallic Iron Nanostructures and Their Magnetic Study

Iron nanostructures with morphology ranging from discrete nanoparticles to nearly monodisperse hierarchical nanostructures have been successfully synthesized using solvated metal atom dispersion (SMAD) method. Such a morphological evolution was realized by tuning the molar ratio of ligand to metal. Surface energy minimization in confluence with strong magnetic interactions and ligand-based stabilization results in the formation of nanospheres of iron. The as-prepared amorphous iron nanostructures exhibit remarkably high coercivity in comparison to the discrete nanoparticles and bulk counterpart. Annealing the as-prepared amorphous Fe nanostructures under anaerobic conditions affords air-stable carbon-encapsulated Fe(0) and Fe3C nanostructures with retention of the morphology. The resulting nanostructures were thoroughly analyzed by powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), transmission electron microscopy (TEM), and Raman spectroscopy. TGA brought out that Fe3C nanostructures are more robust toward oxidation than those of a-Fe. Finally, detailed magnetic studies were carried out by superconducting quantum interference device (SQUID) magnetometer and it was found that the magnetic properties remain conserved even upon exposure of the annealed samples to ambient conditions for months.

爆轰波在楔面上反射数值分析

应用基元反应模型和频散可控耗散格式(DCD)对氢氧爆轰波在楔面反射进行了数值模拟.计算中氢氧混合物的化学反应采用了8种组分20个反应方程式.在处理化学反应引起的刚性问题时采用了时间算子分裂的方法.模拟了爆轰波在楔面反射由马赫反射向规则反射转变的过程,得到了反射转变临界角,同时考虑了初始压力和组分的影响,并和实验及理论分析结果进行了比较,结果是令人满意的.