x-ray studies on crystalline complexes involving amino-acids and peptides .10. head-to-tail sequences in the crystal-structure of l-lysine acetate

l-Lysine acetate crystallises in the monoclinic space group P21 with a = 5.411 (1), b = 7.562(1), c= l2.635(2) Å and β = 91.7(1). The crystal structure was solved by direct methods and refined to an R value of 0.049 using the full matrix least squares method. The conformation and the aggregation of lysine molecules in the structure are similar to those found in the crystal structure of l-lysine l-aspartate. A conspicuous similarity between the crystal structures of l-arginine acetate and l-lysine acetate is that in both cases the strongly basic side chain, although having the largest pK value, interacts with the weakly acidic acetate group leaving the α-amino and the α-carboxylate groups to take part in head-to-tail sequences. These structures thus indicate that electrostatic effects are strongly modulated by other factors so as to give rise to head-to-tail sequences which have earlier been shown to be an almost universal feature of amino acid aggregation in the solid state.

Size-dependent melting of nanoparticles: Hundred years of thermodynamic model

Thermodynamic model first published in 1909, is being used extensively to understand the size-dependent melting of nanoparticles. Pawlow deduced an expression for the size-dependent melting temperature of small particles based on the thermodynamic model which was then modified and applied to different nanostructures such as nanowires, prism-shaped nanoparticles, etc. The model has also been modified to understand the melting of supported nanoparticles and superheating of embedded nanoparticles. In this article, we have reviewed the melting behaviour of nanostructures reported in the literature since 1909.

On the unsteady flow of a fairly concentrated suspension due to contracting or expanding walls of a tube

Consummating our earlier work [1], the unsteady flow of a fairly concentrated suspension due to a single contraction or expansion of the walls of a tube is studied. A comparison of the results obtained by using two different formulae for the additional drag terms in the governing equations has been made. A region of circulation in the flow field is observed when the volume fraction Z greater-or-equal, slanted 0.3, the Schmidt number Sc < 1 and the density ratio (density of the particulate phase/density of the fluid phase) > 1.

Forced Oscillations of a Contained Rotating Stratified Fluid

The motion generated by forced oscillations in an incompressible inviscid rotating and/or stratified fluid is examined under linear theory taking the density variation on the inertia terms. The solution consists of numerous internal modes in addition to the mode which oscillates with forcing frequency. Resonance occurs when the forcing frequency is equal to one of the frequencies of the internal modes. Some of these modes grow linearly or exponentially with time rendering the motion unstable and eventually may lead to turbulence. Most of the results discussed here will be missed under Boussinesq approximation.

Experimental investigation of heat transfer reduction using forward facing cavity for missile shaped bodies flying at hypersonic speed

Forward facing circular nose cavity of 6 mm diameter in the nose portion of a generic missile shaped bodies is proposed to reduce the stagnation zone heat transfer. About 25% reduction in stagnation zone heat transfer is measured using platinum thin film sensors at Mach 8 in the IISc hypersonic shock tunnel. The presence of nose cavity does not alter the fundamental aerodynamic coefficients of the slender body. The experimental results along with the numerically predicted results is also discussed in this paper.

Time and Energy Complexity of Distributed Computation of a Class of Functions in Wireless Sensor Networks

We consider a scenario in which a wireless sensor network is formed by randomly deploying n sensors to measure some spatial function over a field, with the objective of computing a function of the measurements and communicating it to an operator station. We restrict ourselves to the class of type-threshold functions (as defined in the work of Giridhar and Kumar, 2005), of which max, min, and indicator functions are important examples: our discussions are couched in terms of the max function. We view the problem as one of message-passing distributed computation over a geometric random graph. The network is assumed to be synchronous, and the sensors synchronously measure values and then collaborate to compute and deliver the function computed with these values to the operator station. Computation algorithms differ in (1) the communication topology assumed and (2) the messages that the nodes need to exchange in order to carry out the computation. The focus of our paper is to establish (in probability) scaling laws for the time and energy complexity of the distributed function computation over random wireless networks, under the assumption of centralized contention-free scheduling of packet transmissions. First, without any constraint on the computation algorithm, we establish scaling laws for the computation time and energy expenditure for one-time maximum computation. We show that for an optimal algorithm, the computation time and energy expenditure scale, respectively, as Theta(radicn/log n) and Theta(n) asymptotically as the number of sensors n rarr infin. Second, we analyze the performance of three specific computation algorithms that may be used in specific practical situations, namely, the tree algorithm, multihop transmission, and the Ripple algorithm (a type of gossip algorithm), and obtain scaling laws for the computation time and energy expenditure as n rarr infin. In particular, we show that the computation time for these algorithms scales as Theta(radicn/lo- g n), Theta(n), and Theta(radicn log n), respectively, whereas the energy expended scales as , Theta(n), Theta(radicn/log n), and Theta(radicn log n), respectively. Finally, simulation results are provided to show that our analysis indeed captures the correct scaling. The simulations also yield estimates of the constant multipliers in the scaling laws. Our analyses throughout assume a centralized optimal scheduler, and hence, our results can be viewed as providing bounds for the performance with practical distributed schedulers.

Two-agent cooperative search using game models with endurance-time constraints

In this article, the problem of two Unmanned Aerial Vehicles (UAVs) cooperatively searching an unknown region is addressed. The search region is discretized into hexagonal cells and each cell is assumed to possess an uncertainty value. The UAVs have to cooperatively search these cells taking limited endurance, sensor and communication range constraints into account. Due to limited endurance, the UAVs need to return to the base station for refuelling and also need to select a base station when multiple base stations are present. This article proposes a route planning algorithm that takes endurance time constraints into account and uses game theoretical strategies to reduce the uncertainty. The route planning algorithm selects only those cells that ensure the agent will return to any one of the available bases. A set of paths are formed using these cells which the game theoretical strategies use to select a path that yields maximum uncertainty reduction. We explore non-cooperative Nash, cooperative and security strategies from game theory to enhance the search effectiveness. Monte-Carlo simulations are carried out which show the superiority of the game theoretical strategies over greedy strategy for different look ahead step length paths. Within the game theoretical strategies, non-cooperative Nash and cooperative strategy perform similarly in an ideal case, but Nash strategy performs better than the cooperative strategy when the perceived information is different. We also propose a heuristic based on partitioning of the search space into sectors to reduce computational overhead without performance degradation.

Synergitic Promotion of Electrooxidation of Methanol of Carbon-Supported PT-SN Catalysts

Electrooxidation of methanol in sulphuric acid on carbon-supported electrodes containing Pt-Sn bimetal catalysts prepared by an in-situ route is reported, The catalysts have been characterized employing chemical analyses, XRD, and XANES data in conjunction with electrochemistry. This study suggests that the Sn content in Pt-Sn bimetals produces: (i) a charge transfer from Sn to Pt and (ii) an increase in the coverage of adsorbed methanolic residues with the Sn content. From the electrode-kinetics data, it is inferred that while the electrodes of (3:3) Pt-Sn/C catalyst involve a 2-electron rate-limiting step akin to Pt/C electrodes, it is shifted to only 1-electron on (3:2) Pt-Sn/C, (3:3) Pt-Sn/C, and (3:4) Pt-Sn/C electrodes.

Evolution of Transformation Texture in a Metastable B - Titanium Alloy

Texture evolution in h. c. p. (alpha) phase derived from aging of a differently processed metastable b.c.c. (beta) titanium alloy was investigated. The study was aimed at examining (i) the effect of different b. c. c. cold rolling textures and (ii) the effect of different defect structures on the h. c. p transformation texture. The alloy metastable beta alloy Ti-10V-4.5Fe-1.5Al was rolled at room temperature by unidirectional (UDR) and multi-step cross rolling (MSCR). A piece of the as-rolled materials were subjected to aging in order to derive the h. c. p. (alpha) phase. In the other route, the as-rolled materials were recrystallized and then aged. Textures were measured using X-ray as well as Electron Back Scatter Diffraction. Rolling texture of beta phase, as characterized by the presence of a strong gamma fibre, was found stronger in M S C R compared to UDR, although they were qualitatively similar. The stronger texture of MSCR sample could be attributed to the inhomogeneous deformation taking place in the sample that might contribute to weakening of texture. Upon recrystallization in beta phase field close to beta-transus. the textures qualitatively resembled the corresponding beta deformation textures; however, they got strengthed. The aging of differently beta rolled samples resulted in the product alpha-phase with different textures. The (UDR + Aged) sample had a stronger texture than (MSCR + Aged) sample, which could be due to continuation of defect accumulation in UDR sample, thus providing more potential sites for the nucleation of alpha phase. The trend was reversed in samples recrystallized prior to aging. The (MSCR + Recrystallized + Aged) sample showed stronger texture of alpha phase than the (UDR + Recrystallized + Aged) sample. This could be attributed to extensive defect annihilation in the UDR sample on recrystallization prior to aging. The (MSCR + Aged) sample exhibited more alpha variants when compared to (MSCR + Recrystallized + Aged) sample. This has been attributed to the availability of more potential sites for nucleation of alpha phase in the former. It could be concluded that alpha transformation texture depends mainly on the defect structure of the parent phase.

Bile acids in asymmetric synthesis and molecular recognition

This account summarizes the progress made in our laboratory towards the development of new uses of naturally occurring bile acids. Applications in Asymmetric Synthesis (intramolecular coupling, and intermolecular reactions) and Molecular Recognition are described with suitable examples.

Monoclonal antibodies in the study of architecture of plant viruses

Monoclonal antibodies have been used as probes to study the architecture of several plant viruses over the past decade. These studies complement the information obtained through X-ray crystallography and help in delineating epitopes on the surface of the virus. The monoclonal antibodies that recognize distinct epitopes also aid in unravelling the mechanisms of assembly/disassembly of virus particles. Group-specific and strain-specific monoclonal antibodies are widely used in the classification of viruses. The significant developments made in this emerging area are reviewed here with specific examples.

Optical, electrical and dielectric properties of TiO(2)-SiO(2) films prepared by a cost effective sol-gel process

Titanium dioxide (TiO(2)) and silicon dioxide (SiO(2)) thin films and their mixed films were synthesized by the sol-gel spin coating method using titanium tetra isopropoxide (TTIP) and tetra ethyl ortho silicate (TEOS) as the precursor materials for TiO(2) and SiO(2) respectively. The pure and composite films of TiO(2) and SiO(2) were deposited on glass and silicon substrates. The optical properties were studied for different compositions of TiO(2) and SiO(2) sols and the refractive index and optical band gap energies were estimated. MOS capacitors were fabricated using TiO(2) films on p-silicon (1 0 0) substrates. The current-voltage (I-V) and capacitance-voltage (C-V) characteristics were studied and the electrical resistivity and dielectric constant were estimated for the films annealed at 200 degrees C for their possible use in optoelectronic applications. (C) 2011 Elsevier B.V. All rights reserved.

Experimental and Theoretical Studies of Unusual Four-Membered Metallacycles from Reactions of Group 4 Metallocene Bis(trimethylsilyl)-acetylene Complexes with the Sulfurdiimide Me3SiN=S=NSiMe3

The use of the sulfurdiimide RN=S=NR' (R = R' = SiMe3, 3) in reactions with group 4 metallocene bis(trimethylsilyl)-acetylene complexes of the type [Cp2M(L (eta(2)-Me3Si-C2SiMe3)] (1: M = Ti, no L; 2: M = Zr, L = pyridine) has led to the formation of four-membered metallacycles 4M containing the group 4 metal, nitrogen and sulfur. DFT calculations performed on compound 4Ti indicate that this complex is best described as a sigma-complex with cyclic delocalisation of the ring electrons. Moreover, pseudo-Jahn-Teller distortion plays a significant role in stabilising this complex.