An infinite family of tight triangulations of manifolds

We give explicit construction of vertex-transitive tight triangulations of d-manifolds for d >= 2. More explicitly, for each d >= 2, we construct two (d(2) + 5d + 5)-vertex neighborly triangulated d-manifolds whose vertex-links are stacked spheres. The only other non-trivial series of such tight triangulated manifolds currently known is the series of non-simply connected triangulated d-manifolds with 2d + 3 vertices constructed by Kuhnel. The manifolds we construct are strongly minimal. For d >= 3, they are also tight neighborly as defined by Lutz, Sulanke and Swartz. Like Kuhnel complexes, our manifolds are orientable in even dimensions and non-orientable in odd dimensions. (c) 2013 Elsevier Inc. All rights reserved.

Sufficient conditions for formation of a network topology by self-interested agents

Networks such as organizational network of a global company play an important role in a variety of knowledge management and information diffusion tasks. The nodes in these networks correspond to individuals who are self-interested. The topology of these networks often plays a crucial role in deciding the ease and speed with which certain tasks can be accomplished using these networks. Consequently, growing a stable network having a certain topology is of interest. Motivated by this, we study the following important problem: given a certain desired network topology, under what conditions would best response (link addition/deletion) strategies played by self-interested agents lead to formation of a pairwise stable network with only that topology. We study this interesting reverse engineering problem by proposing a natural model of recursive network formation. In this model, nodes enter the network sequentially and the utility of a node captures principal determinants of network formation, namely (1) benefits from immediate neighbors, (2) costs of maintaining links with immediate neighbors, (3) benefits from indirect neighbors, (4) bridging benefits, and (5) network entry fee. Based on this model, we analyze relevant network topologies such as star graph, complete graph, bipartite Turan graph, and multiple stars with interconnected centers, and derive a set of sufficient conditions under which these topologies emerge as pairwise stable networks. We also study the social welfare properties of the above topologies.

A divide and conquer strategy for scaling weather simulations with multiple regions of interest

Accurate and timely prediction of weather phenomena, such as hurricanes and flash floods, require high-fidelity compute intensive simulations of multiple finer regions of interest within a coarse simulation domain. Current weather applications execute these nested simulations sequentially using all the available processors, which is sub-optimal due to their sub-linear scalability. In this work, we present a strategy for parallel execution of multiple nested domain simulations based on partitioning the 2-D processor grid into disjoint rectangular regions associated with each domain. We propose a novel combination of performance prediction, processor allocation methods and topology-aware mapping of the regions on torus interconnects. Experiments on IBM Blue Gene systems using WRF show that the proposed strategies result in performance improvement of up to 33% with topology-oblivious mapping and up to additional 7% with topology-aware mapping over the default sequential strategy.

Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid

This article presents the investigation of the coordination behavior of a newly synthesized tricarboxylate ligand, obtained by joining imidazole dicarboxylic acid and 4-carboxybenzyl moieties cbimdaH(3), 1-(4-carboxybenzyl)-1H-imidazole-4,5-dicarboxylic acid]. Two novel coordination polymers were obtained through solvothermal reactions under similar conditions namely Sr(cbimdaH)(H2O)](n) (1) and Cd-2(cbimdaH)(2)(H2O)(6)](n)center dot(DMF)(3n)(H2O)(3n) (2), with the ligand behaving as a dianionic tricarboxylate linker. The single crystal X-ray structures show that while 1 forms a 3D coordination polymer, 2 forms a 1D polymer which is further assembled in three dimensions through supramolecular interactions (H-bonding). Complex 1 consists of Sr2+ ions in a distorted dodecahedral coordination geometry, while 2 consists of Cd2+ ions in distorted pentagonal bipyramidal geometries. A topology study reveals that 1 has a new topology based on the 5,6-coordinated 3D net architecture. The luminescence properties of the complexes in the solid state and their thermal stabilities were studied.

Grassmannian fusion frames and its use in block sparse recovery

Tight fusion frames which form optimal packings in Grassmannian manifolds are of interest in signal processing and communication applications. In this paper, we study optimal packings and fusion frames having a specific structure for use in block sparse recovery problems. The paper starts with a sufficient condition for a set of subspaces to be an optimal packing. Further, a method of using optimal Grassmannian frames to construct tight fusion frames which form optimal packings is given. Then, we derive a lower bound on the block coherence of dictionaries used in block sparse recovery. From this result, we conclude that the Grassmannian fusion frames considered in this paper are optimal from the block coherence point of view. (C) 2013 Elsevier B.V. All rights reserved.

Nonlinear and linear autopilot performance comparison of tactical flight vehicle

n this paper, three-axis autopilot of a tactical flight vehicle has been designed for surface to air application. Both nonlinear and linear design synthesis and analysis have been carried out pertaining to present flight vehicle. Lateral autopilot performance has been compared by tracking lateral acceleration components along yaw and pitch plane at higher angles of attack in presence of side force and aerodynamic nonlinearity. The nonlinear lateral autopilot design is based on dynamic inversion and time scale separation principle. The linear lateral autopilot design is based on three-loop topology. Roll autopilot robustness performance has been enhanced against unmodeled roll disturbances by backstepping technique. Complete performance comparison results of both nonlinear and linear controller based on six degrees of freedom simulation along with stability and robustness studies with respect to plant parameter variation have been discussed in the paper.

A Novel Design Method for SOGI-PLL for Minimum Settling Time and Low Unit Vector Distortion

Phase-locked loops (PLLs) are necessary in grid connected systems to obtain information about the frequency, amplitude and phase of the grid voltage. In stationary reference frame control, the unit vectors of PLLs are used for reference generation. It is important that the PLL performance is not affected significantly when grid voltage undergoes amplitude and frequency variations. In this paper, a novel design for the popular single-phase PLL topology, namely the second-order generalized integrator (SOGI) based PLL is proposed which achieves minimum settling time during grid voltage amplitude and frequency variations. The proposed design achieves a settling time of less than 27.7 ms. This design also ensures that the unit vectors generated by this PLL have a steady state THD of less than 1% during frequency variations of the grid voltage. The design of the SOGI-PLL based on the theoretical analysis is validated by experimental results.

Minimal crystallizations of 3-manifolds

We have introduced the weight of a group which has a presentation with number of relations is at most the number of generators. We have shown that the number of facets of any contracted pseudotriangulation of a connected closed 3-manifold M is at least the weight of the fundamental group of M. This lower bound is sharp for the 3-manifolds RP3, L(3, 1), L(5, 2), S-1 x S-1 x S-1, S-2 x S-1, S-2 (x) under bar S-1 and S-3/Q(8), where Q(8) is the quaternion group. Moreover, there is a unique such facet minimal pseudotriangulation in each of these seven cases. We have also constructed contracted pseudotriangulations of L(kq - 1, q) with 4(q + k - 1) facets for q >= 3, k >= 2 and L(kq + 1, q) with 4(q + k) facets for q >= 4, k >= 1. By a recent result of Swartz, our pseudotriangulations of L(kg + 1, q) are facet minimal when kg + 1 are even. In 1979, Gagliardi found presentations of the fundamental group of a manifold M in terms of a contracted pseudotriangulation of M. Our construction is the converse of this, namely, given a presentation of the fundamental group of a 3-manifold M, we construct a contracted pseudotriangulation of M. So, our construction of a contracted pseudotriangulation of a 3-manifold M is based on a presentation of the fundamental group of M and it is computer-free.

Proper holomorphic mappings between hyperbolic product manifolds

We prove a result on the structure of finite proper holomorphic mappings between complex manifolds that are products of hyperbolic Riemann surfaces. While an important special case of our result follows from the ideas developed by Remmert and Stein, the proof of the full result relies on the interplay of the latter ideas and a finiteness theorem for Riemann surfaces.

Construction of Bis-pyrazole Based Co(II) Metal-Organic Frameworks and Exploration of Their Chirality and Magnetic Properties

In continuation of our interest in pyrazole based multifunctional metal-organic frameworks (MOFs), we report herein the construction of a series of Co(II) MOFs using a bis-pyrazole ligand and various benzene polycarboxylic acids. Employment of different acids has resulted in different architectures ranging from a two-dimensional grid network, porous nanochannels with interesting double helical features such as supramolecular chicken wire, to three-dimensional diamondoid networks. One of the distinguishing features of the network is their larger dimensions which can be directly linked to a relatively larger size of the ligand molecule. Conformational flexibility of the ligand also plays a decisive role in determining both the dimensionality and topology of the final structure. Furthermore, chirality associated with helical networks and magnetic properties of two MOFs have also been investigated.

NON-GLYCINE RESIDUES IN THE DISALLOWED REGIONS OF THE RAMACHANDRAN MAP AND THEIR NEIGHBORHOOD PREFERENCES

The allowed and the ``disallowed'' regions in the celebrated Ramachandran map (phi-psi] map) was elegantly deduced by Ramachandran, Ramakrishnan and Sasisekharan even before the protein crystal structures became available. This powerful map was derived based on rigid geometry of the peptide group and later several investigations on protein crystal structures reported the occurrence of a small fraction of the phi-psi] torsion angles in the disallowed region. The question is what factors make these residues adopt disallowed conformations? Is it driven by the necessity to maintain the overall topology or is it associated with function or is it just that the disallowed conformations are extreme limits of the allowed conformations? Today, with the availability of a large number of high resolution crystal structures, we have revisited this problem. Apart from validating some of the earlier findings such as residue propensities, preferred location in the secondary structure, we have explored their spatial neighborhood preferences using the protein structure network PSN] approach developed in our lab. Finally, the structural and functional implications of the disallowed conformations are examined.

Effect of adsorbate loading on selectivity during adsorption of C/C and C/C n-alkane binary mixtures in silicalite

Adsorption experiments of mixtures of long chain alkanes into silicalite under liquid phase conditions show selectivity inversion and azeotrope formation. These effects are due to the subtle interplay between the size of the adsorbed molecules and pore topology of the adsorbent. In this study, the selective uptake of lighter component during liquid phase adsorption of C/C and C/C n-alkane binary mixtures in the zeolite silicalite is understood through configurational bias grand-canonical Monte Carlo molecular simulation technique and a coarse-grained siting analysis. The simulations are conducted under conditions of low and intermediate levels of loading. The siting pattern of the adsorbates inside the zeolite pores explain the selectivity as seen in experiments.

Eco-friendly green synthesis, structural and photoluminescent studies of CeO2:Eu3+ nanophosphors using E. tirucalli plant latex

The investigation involves preparation and photoluminescence properties of CeO2:Eu3+ (1-11 mol%) nano phosphors by eco-friendly green combustion route using Euphorbia tirucalli plant latex as fuel. The final product was characterized by powder X-ray diffraction (PXRD), Scanning electron microcopy (SEM) and Transmission electron microscopy (TEM). The PXRD and SEM results reveals cubic fluorite phase with flaky structure. The crystallite size obtained from TEM was found to be similar to 20-25 nm, which was comparable to W-H plots and Scherrer's method. Photoluminescence (PL) emission of all the Eu3+ doped samples shows characteristic bands arising from the transitions of D-5(0) -> F-5(J) (J = 0, 1, 2, 3, 4) manifolds under excitation at 373 and 467 nm excitation. The D-5(0) -> F-7(2) (613 nm) transition often dominate the emission spectra, indicating that the Eu3+ cations occupy a site without inversion center. The highest PL intensity was recorded for 9 mol% Eu3+ ions with 5 ml latex. PL quenching was observed upon further increase in Eu3+ concentration. The international commission on illumination (CIE) chromaticity co-ordinates were calculated from emission spectra, the values (x, y) were very close to national television system committee (NTSC) standard values of pure red emission. The results demonstrate that the synthesized phosphor material could be very useful for display applications. Further, the phosphor material prepared by this method was found to be non toxic, environmental friendly and could be a potential alternative to economical routes. (C) 2014 Elsevier B.V. All rights reserved.

A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers

Dendrimers are highly branched polymeric nanoparticles whose structure and topology, largely, have determined their efficacy in a wide range of studies performed so far. An area of immense interest is their potential as drug and gene delivery vectors. Realizing this potential, depending on the nature of cell surface-dendrimer interactions, here we report controlled model membrane penetration and reorganization, using a model supported lipid bilayer and poly(ether imine) (PETIM) dendrimers of two generations. By systematically varying the areal density of the lipid bilayers, we provide a microscopic insight, through a combination of high resolution scattering, atomic force microscopy and atomistic molecular dynamics simulations, into the mechanism of PETIM dendrimer membrane penetration, pore formation and membrane re-organization induced by such interactions. Our work represents the first systematic observation of a regular barrel-like membrane spanning pore formation by dendrimers, tunable through lipid bilayer packing, without membrane disruption.

Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding

One hundred complexes have been investigated exhibiting D-X center dot center dot center dot A interactions, where X = H, Cl or Li and DX is the `X bond' donor and A is the acceptor. The optimized structures of all these complexes have been used to propose a generalized `Legon-Millen rule' for the angular geometry in all these interactions. A detailed Atoms in Molecules (AIM) theoretical analysis confirms an important conclusion, known in the literature: there is a strong correlation between the electron density at the X center dot center dot center dot A bond critical point (BCP) and the interaction energy for all these interactions. In addition, we show that extrapolation of the fitted line leads to the ionic bond for Li-bonding (electrostatic) while for hydrogen and chlorine bonding, it leads to the covalent bond. Further, we observe a strong correlation between the change in electron density at the D-X BCP and that at the X center dot center dot center dot A BCP, suggesting conservation of the bond order. The correlation found between penetration and electron density at BCP can be very useful for crystal structure analysis, which relies on arbitrary van der Waals radii for estimating penetration. Various criteria proposed for shared-and closed-shell interactions based on electron density topology have been tested for H/Cl/Li bonded complexes. Finally, using the natural bond orbital (NBO) analysis it is shown that the D-X bond weakens upon X bond formation, whether it is ionic (DLi) or covalent (DH/DCl) and the respective indices such as ionicity or covalent bond order decrease. Clearly, one can think of conservation of bond order that includes ionic and covalent contributions to both D-X and X center dot center dot center dot A bonds, for not only X = H/Cl/Li investigated here but also any atom involved in intermolecular bonding.