High-Throughput Study of the Cu(CH3COO)(2)center dot H2O-5-Nitroisophthalic Acid Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates

A high-throughput screening was employed to identify new compounds in Cu(CH3COO)(2)center dot H2O-NIPA-heterocyclic ligand systems. Of the compounds identified, three compounds, Cu-3{(NO2)-C6H3-(COO)(2)}(3)(C3N6H6)] (1), Cu-2(mu(3)-OH)(H2O){(NO2)-C6H3-(COO)(2)}(CN4H)]center dot-(H2O) (II), and Cu-2(mu(3)-OH)(H2O){(NO2)-C6H3-(COO)(2}-)(CN5H2)]center dot 2(H2O) (III), have been isolated as good quality single crystals by employing conventional hydrothermal methods. Three other compounds, Cu-2{(NO2)-C6H3-(COO)(2)}-(CN4H)(H2O) (IIa), Cu-2{(NO2)-C6H3-(COO)(2)}(CN5H2) (IIIa), and Cu-2{(NO2)-C6H3-(COO)(2)}{(CN5H2)(2)}2H(2)O (IIIb), were identified by a combination of elemental analysis, thermogravimetric analysis (TGA), and IR spectroscopic studies, although their structures are yet to be determined. The single crystalline compounds were also characterized by elemental analysis, TGA, IR, UV vis, magnetic, and catalytic studies. The structures of the compounds have paddle wheel (I) and infinite Cu 0(H) Cu chains (II and HI) connected with NLPA and heterocyclic ligands forming two-(II) and three-dimensional (I and III) structures. The bound and lattice water molecules in 11 and 111 could be reversibly removed/inserted without affecting the structure. In the case of II, the removal of water gives rise to a structural transition, but the dehydrated phase reverts back to the original phase on prolonged exposure to atmospheric conditions. Magnetic studies indicate an overall antiferromagnetism in all of the compounds. Lewis acid catalytic studies indicate that compounds II and HI are active for cyanosilylation of imines.

Reduced Order Suboptimal Control Design for a Class of Nonlinear Distributed Parameter Systems Using POD and /spl thetas/-D Techniques

A new computational tool is presented in this paper for suboptimal control design of a class of nonlinear distributed parameter systems. First proper orthogonal decomposition based problem-oriented basis functions are designed, which are then used in a Galerkin projection to come up with a low-order lumped parameter approximation. Next, a suboptimal controller is designed using the emerging /spl thetas/-D technique for lumped parameter systems. This time domain sub-optimal control solution is then mapped back to the distributed domain using the same basis functions, which essentially leads to a closed form solution for the controller in a state feedback form. Numerical results for a real-life nonlinear temperature control problem indicate that the proposed method holds promise as a good suboptimal control design technique for distributed parameter systems.

Synthesis of layered MoOPO4 center dot 2H(2)O and investigation of its intercalation chemistry

We describe in this paper the synthesis and characterization of a new layered phosphate, MoOPO4 . 2H(2)O (I), and its intercalation chemistry. The phosphate I, crystallizing in a tetragonal structure (a = 6.375(7), c = 7.80(1) Angstrom, and Z = 2) similar to that of VOPO4 . 2H(2)O, has been synthesized by the reduction of MoO2(HPO4). H2O (II) using ethylene glycol in an CH3CN medium at similar to 60 degrees C. Interestingly, I could be readily oxidized back to II using Br-2 in CH3CN at room temperature. Considering the close structural relationship existing between I and II, it is likely that the reduction and oxidation of the phosphates proceed by a topotactic mechanism. I is a novel layered host intercalating a variety of organic bases such as n-alkylamines, pyridine, and aniline, mainly through an acid-base interaction. Unlike VOPO4 . 2H(2)O, I does not exhibit reductive intercalation reactivity.

Grain Floatation During Equiaxed Solidification of an Al-Cu Alloy in a Side-Cooled Cavity: Part I-Experimental Studies

Experimental studies were performed to investigate the role and influence of grain movement on macrosegregation and microstructure evolution during equiaxed solidification. Casting experiments were performed with a grain-refined Al-Cu alloy in a rectangular sand mold. For the aluminum alloy studied, the equiaxed grains are lighter than the bulk melt and thus float up. Experiments were designed to investigate floatation phenomena of equiaxed grains in the presence of thermosolutal convection. Cooling curves were recorded at key locations in both the casting and the chill. Quantitative image analysis and spatial chemical analysis were performed on the solidified casting to observe the chemical and microstructural inhomogeneity created by the melt convection and solid floatation. Several notable features that can be attributed to grain movement were observed in temperature histories, macrosegregation patterns, and microstructures. In our experiments, the floatation of grains influences the thermal conditions and the overall flow direction in the casting cavity. In some cases, the induced flow resulting from the grain movement caused a flow reversal. This in turn influences the solidification direction, microstructure evolution, and the overall macrosegregation behavior.

A method of tracking the peak power points for a variable speed wind energy conversion system

In this paper, a method of tracking the peak power in a wind energy conversion system (WECS) is proposed, which is independent of the turbine parameters and air density. The algorithm searches for the peak power by varying the speed in the desired direction. The generator is operated in the speed control mode with the speed reference being dynamically modified in accordance with the magnitude and direction of change of active power. The peak power points in the P-omega curve correspond to dP/domega = 0. This fact is made use of in the optimum point search algorithm. The generator considered is a wound rotor induction machine whose stator is connected directly to the grid and the rotor is fed through back-to-back pulse-width-modulation (PWM) converters. Stator flux-oriented vector control is applied to control the active and reactive current loops independently. The turbine characteristics are generated by a dc motor fed from a commercial dc drive. All of the control loops are executed by a single-chip digital signal processor (DSP) controller TMS320F240. Experimental results show that the performance of the control algorithm compares well with the conventional torque control method.

A Convex Optimization Framework for Almost Budget Balanced Allocation of a Divisible Good

We address the problem of allocating a single divisible good to a number of agents. The agents have concave valuation functions parameterized by a scalar type. The agents report only the type. The goal is to find allocatively efficient, strategy proof, nearly budget balanced mechanisms within the Groves class. Near budget balance is attained by returning as much of the received payments as rebates to agents. Two performance criteria are of interest: the maximum ratio of budget surplus to efficient surplus, and the expected budget surplus, within the class of linear rebate functions. The goal is to minimize them. Assuming that the valuation functions are known, we show that both problems reduce to convex optimization problems, where the convex constraint sets are characterized by a continuum of half-plane constraints parameterized by the vector of reported types. We then propose a randomized relaxation of these problems by sampling constraints. The relaxed problem is a linear programming problem (LP). We then identify the number of samples needed for ``near-feasibility'' of the relaxed constraint set. Under some conditions on the valuation function, we show that value of the approximate LP is close to the optimal value. Simulation results show significant improvements of our proposed method over the Vickrey-Clarke-Groves (VCG) mechanism without rebates. In the special case of indivisible goods, the mechanisms in this paper fall back to those proposed by Moulin, by Guo and Conitzer, and by Gujar and Narahari, without any need for randomization. Extension of the proposed mechanisms to situations when the valuation functions are not known to the central planner are also discussed. Note to Practitioners-Our results will be useful in all resource allocation problems that involve gathering of information privately held by strategic users, where the utilities are any concave function of the allocations, and where the resource planner is not interested in maximizing revenue, but in efficient sharing of the resource. Such situations arise quite often in fair sharing of internet resources, fair sharing of funds across departments within the same parent organization, auctioning of public goods, etc. We study methods to achieve near budget balance by first collecting payments according to the celebrated VCG mechanism, and then returning as much of the collected money as rebates. Our focus on linear rebate functions allows for easy implementation. The resulting convex optimization problem is solved via relaxation to a randomized linear programming problem, for which several efficient solvers exist. This relaxation is enabled by constraint sampling. Keeping practitioners in mind, we identify the number of samples that assures a desired level of ``near-feasibility'' with the desired confidence level. Our methodology will occasionally require subsidy from outside the system. We however demonstrate via simulation that, if the mechanism is repeated several times over independent instances, then past surplus can support the subsidy requirements. We also extend our results to situations where the strategic users' utility functions are not known to the allocating entity, a common situation in the context of internet users and other problems.

String-like propagation of the 5-coordinated defect state in supercooled water: molecular origin of dynamic and thermodynamic anomalies

We find that at low temperature water, large amplitude (similar to 60 degrees) rotational jumps propagate like a string, with the length of propagation increasing with lowering temperature. The strings are formed by mobile 5-coordinated water molecules which move like a Glarum defect (J. Chem. Phys., 1960, 33, 1371), causing water molecules on the path to change from 4-coordinated to 5-coordinated and again back to 4-coordinated water, and in the process cause the tagged water molecule to jump, by following essentially the Laage-Hynes mechanism (Science, 2006, 311, 832-835). The effects on relaxation of the propagating defect causing large amplitude jumps are manifested most dramatically in the mean square displacement (MSD) and also in the rotational time correlation function of the O-H bond of the molecule that is visited by the defect (transient transition to the 5-coordinated state). The MSD and the decay of rotational time correlation function, both remain quenched in the absence of any visit by the defect, as postulated by Glarum long time ago. We establish a direct connection between these propagating events and the known thermodynamic and dynamic anomalies in supercooled water. These strings are found largely in the regions that surround the relatively rigid domains of 4-coordinated water molecules. The propagating strings give rise to a noticeable dynamical heterogeneity, quantified here by a sharp rise in the peak of the four-point density response function, chi(4)(t). This dynamics heterogeneity is also responsible for the breakdown of the Stokes-Einstein relation.

Dynamics of rural energy access in India: An assessment

India's rural energy challenges are formidable with the presence of majority energy poor. In 2005, out of a rural population of 809 million, 364 million lacked access to electricity and 726 million to modern cooking fuels. This indicates low effectiveness of government policies and programs of the past, and need for a more effective approach to bridge this gap. However, before the government can address this challenge, it is essential that it gain a deeper insight into prevailing status of energy access and reasons for such outcomes. Toward this, we perform a critical analysis of the dynamics of energy access status with respect to time, income and regions, and present the results as possible indicators of effectiveness of policies/programmes. Results indicate that energy deprivations are highest for poorest households with 93% depending on biomass for cooking and 62% lacking access to electricity. The annual growth rates in expansion in energy access are gradually declining from double digit growth rates experienced 10 years back to just around 4% in recent years. Regional variations indicate, on an average, cooking access levels were 5.3 times higher in top five states compared to bottom five states whereas this ratio was 3.4 for electricity access. (C) 2011 Elsevier Ltd. All rights reserved.

Direct evidence of redox interaction between metal ion and support oxide in Ce(0.98)Pd(0.02)O(2-delta) by a combined electrochemical and XPS study

A combined electrochemical method and X-ray photo electron spectroscopy (XPS) has been utilized to understand the Pd(2+)/CeO(2) interaction in Ce(1-x)Pd(x)O(2-delta) (x = 0.02). A constant positive potential (chronoamperometry) is applied to Ce(0.98)Pd(0.02)O(2-delta) working electrode which causes Ce(4+) to reduce to Ce(3+) to the extent of similar to 35%, while Pd remains in the +2 oxidation state. Electrochemically cycling this electrode between 0.0-1.2 V reverts back to the original state of the catalyst. This reversibility is attributed to the reversible reduction of Ce(4+) to Ce(3+) state. CeO(2) electrode with no metal component reduces to CeO(2-y) (y similar to 0.4) after applying 1.2 V which is not reversible and the original composition of CeO(2) cannot be brought back in any electrochemical condition. During the electro-catalytic oxygen evolution reaction at a constant 1.2 V for 1000 s, Ce(0.98)Pd(0.02)O(2-delta) reaches a steady state composition with Pd in the +2 states and Ce(4+) : Ce(3+) in the ratio of 0.65 : 0.35. This composition can be denoted as Ce(0.63)(4+)Ce(0.35)(4+)Pd(0.02)O(2-delta-y) (y similar to 0.17). When pure CeO(2) is put under similar electrochemical condition, it never reaches the steady state composition and reduces almost to 85%. Thus, Ce(0.98)Pd(0.02)O(2-delta) forms a stable electrode for the electro-oxidation of H(2)O to O(2) unlike CeO(2) due to the metal support interaction.

Reversible Formation of a Planar Chiral Ferrocenylboroxine and Its Supramolecular Structure

The boronic acid (pS)-1,2-NpFcB(OH)(2) (1) was obtained by treatment of the lithiated species (pS)-1,2-NpFcLi with B(O(i)Pr)(3), followed by acidic workup; subsequent dehydration gave the enantiomerically pure boroxine [(pS)-1,2-NpFcBO](3) (2) in 49% isolated yield. Multinuclear and 2D NMR spectroscopies, single-crystal X-ray diffraction, and elemental analysis served to confirm the structure of 2. In the solid-state structure, all three of the naphthyl groups point in one direction and all of the ferrocenyl moieties are placed on the opposite face of the boroxine ring, which is also the preferred conformation in solution according to a (1)H, (1)H-NOESY experiment. Cyclic voltammetry revealed three separate reversible oxidation events, which suggests significant communication between the ferrocenyl moieties. These redox processes experience a cathodic shift upon addition of 4-dimethylaminopyridine (DMAP) as a Lewis base. The six-membered ring is opened upon treatment with hot CHCl(3)/MeOH to form the methoxy species (pS)-1,2-NpFcB(OH)(OMe) (3), which can be converted back to the cycle 2 by dissolution in wet CHCl(3), followed by column chromatography on silica gel.

Fast Robust Pattern Classification Algorithms for Real Time Neuro-Motor Prosthetic Applications

In this paper, we give a brief review of pattern classification algorithms based on discriminant analysis. We then apply these algorithms to classify movement direction based on multivariate local field potentials recorded from a microelectrode array in the primary motor cortex of a monkey performing a reaching task. We obtain prediction accuracies between 55% and 90% using different methods which are significantly above the chance level of 12.5%.

Minimal Triangulations of Manifolds

Finding vertex-minimal triangulations of closed manifolds is a very difficult problem. Except for spheres and two series of manifolds, vertex-minimal triangulations are known for only few manifolds of dimension more than 2 (see the table given at the end of Section 5). In this article, we present a brief survey on the works done in last 30 years on the following:(i) Finding the minimal number of vertices required to triangulate a given pl manifold. (ii) Given positive integers n and d, construction of n-vertex triangulations of different d-dimensional pl manifolds. (iii) Classifications of all the triangulations of a given pl manifold with same number of vertices.In Section 1, we have given all the definitions which are required for the remaining part of this article. A reader can start from Section 2 and come back to Section 1 as and when required. In Section 2, we have presented a very brief history of triangulations of manifolds. In Section 3,we have presented examples of several vertex-minimal triangulations. In Section 4, we have presented some interesting results on triangulations of manifolds. In particular, we have stated the Lower Bound Theorem and the Upper Bound Theorem. In Section 5, we have stated several results on minimal triangulations without proofs. Proofs are available in the references mentioned there. We have also presented some open problems/conjectures in Sections 3 and 5.

Relative effect of slope and equilibrium line altitude on the retreat of Himalayan glaciers

It has been observed that a majority of glaciers in the Himalayas have been retreating. In this paper, we show that there are two major factors which control the advance/retreat of the Himalayan glaciers. They are the slope of the glacier and changes in the equilibrium line altitude. While it is well known, that these factors are important, we propose a new way of combining them and use it to predict retreat. The functional form of this model has been derived from numerical simulations using an ice-flow code. The model has been successfully applied to the movement of eight Himalayan glaciers during the past 25 years. It explains why the Gangotri glacier is retreating while Zemu of nearly the same length is stationary, even if they are subject to similar environmental changes. The model has also been applied to a larger set of glaciers in the Parbati basin, for which retreat based on satellite data is available, though over a shorter time period.

Effect of ``dipolar-biasing'' on the tunability of tunneling magnetoresistance in transition metal oxide systems

We observe an unusual tunneling magnetoresistance (TMR) phenomenon in a composite of La2/3Sr1/3MnO3 with CoFe2O4 where the TMR versus applied magnetic field loop suggests a ``negative coercive field.'' Tracing its origin back to a ``dipolar-biasing'' of La2/3Sr1/3MnO3 by CoFe2O4, we show that the TMR of even a single composite can be tuned continuously so that the resistance peak or the highest sensitivity of the TMR can be positioned anywhere on the magnetic field axis with a suitable magnetic history of the sample. This phenomenon of an unprecedented tunability of the TMR should be present in general in all such composites. (C) 2012 American Institute of Physics.http://dx.doi.org/10.1063/1.4731206]

The local polynomial hull near a degenerate CR singularity: Bishop discs revisited

Let be a smooth real surface in and let be a point at which the tangent plane is a complex line. How does one determine whether or not is locally polynomially convex at such a p-i.e. at a CR singularity? Even when the order of contact of with at p equals 2, no clean characterisation exists; difficulties are posed by parabolic points. Hence, we study non-parabolic CR singularities. We show that the presence or absence of Bishop discs around certain non-parabolic CR singularities is completely determined by a Maslov-type index. This result subsumes all known facts about Bishop discs around order-two, non-parabolic CR singularities. Sufficient conditions for Bishop discs have earlier been investigated at CR singularities having high order of contact with . These results relied upon a subharmonicity condition, which fails in many simple cases. Hence, we look beyond potential theory and refine certain ideas going back to Bishop.