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.

Modeling of wheeled mobile robots using dextrous manipulation kinematics

Abstract—This document introduces a new kinematic simulation of a wheeled mobile robot operating on uneven terrain. Our modeling method borrows concepts from dextrous manipulation. This allows for an accurate simulation of the way 3-dimensional wheels roll over a smooth ground surface. The purpose of the simulation is to validate a new concept for design of off-road wheel suspensions, called Passive Variable Camber (PVC). We show that PVC eliminates kinematic slip for an outdoor robot. Both forward and inverse kinematics are discussed and simulation results are presented.

Cascaded walks in protein sequence space: use of artificial sequences in remote homology detection between natural proteins

Over the past two decades, many ingenious efforts have been made in protein remote homology detection. Because homologous proteins often diversify extensively in sequence, it is challenging to demonstrate such relatedness through entirely sequence-driven searches. Here, we describe a computational method for the generation of `protein-like' sequences that serves to bridge gaps in protein sequence space. Sequence profile information, as embodied in a position-specific scoring matrix of multiply aligned sequences of bona fide family members, serves as the starting point in this algorithm. The observed amino acid propensity and the selection of a random number dictate the selection of a residue for each position in the sequence. In a systematic manner, and by applying a `roulette-wheel' selection approach at each position, we generate parent family-like sequences and thus facilitate an enlargement of sequence space around the family. When generated for a large number of families, we demonstrate that they expand the utility of natural intermediately related sequences in linking distant proteins. In 91% of the assessed examples, inclusion of designed sequences improved fold coverage by 5-10% over searches made in their absence. Furthermore, with several examples from proteins adopting folds such as TIM, globin, lipocalin and others, we demonstrate that the success of including designed sequences in a database positively sensitized methods such as PSI-BLAST and Cascade PSI-BLAST and is a promising opportunity for enormously improved remote homology recognition using sequence information alone.

Generating string solutions in BTZ

Integrability of classical strings in the BTZ black hole enables the construction and study of classical string propagation in this background. We first apply the dressing method to obtain classical string solutions in the BTZ black hole. We dress time like geodesics in the BTZ black hole and obtain open string solutions which are pinned on the boundary at a single point and whose end points move on time like geodesics. These strings upon regularising their charge and spins have a dispersion relation similar to that of giant magnons. We then dress space like geodesics which start and end on the boundary of the BTZ black hole and obtain minimal surfaces which can penetrate the horizon of the black hole while being pinned at the boundary. Finally we embed the giant gluon solutions in the BTZ background in two different ways. They can be embedded as a spiral which contracts and expands touching the horizon or a spike which originates from the boundary and touches the horizon.

A Comparison of mechanical and tribological behavior of nanostructured and conventional WC-12Co detonation-sprayed coatings

In the present study, WC-12Co coatings were deposited by detonation-spraying technique using conventional and nanostructured WC-12Co feedstock at four different oxy/fuel ratios (OF ratio). The coatings exhibited the presence of phases like W2C and W due to the decarburization of the WC phase, and the proportions of these phases were higher in the nano WC-12Co coatings compared with conventional WC-12Co coatings. Coating hardness and fracture toughness were measured. The tribological performance of coatings was examined under dry sand rubber wheel abrasion wear, and solid particle erosion wear conditions. The mechanical and wear properties of coatings were influenced by degree of decarburization and more so in the case of nanostructured WC-Co coatings. The results indicate that the extent of decarburization has a substantial influence on the elastic modulus of the coating which in turn is related to the extent of intersplat cracking of the coating.

Studies on the wobble mode stability of a three-wheeled vehicle

A wobble instability is one of the major problems of a three-wheeled vehicle commonly used in India, and these instabilities are of great interest to industry and academia. In this paper, we studied this instability using a multi-body dynamic model and with experiments conducted on a prototype three-wheeled vehicle on a test track. The multi-body dynamic model of a three-wheeled vehicle is developed using the commercial software ADAMS/Car. In an initial model, all components including main structures such as the frame, the steering column and the rear forks are assumed to be rigid bodies. A linear eigenvalue analysis, which is carried out at different speeds, reveals a mode that has predominantly a steering oscillation, also called a wobble mode, with a frequency of around 5-6Hz. The analysis results shows that the damping of this mode is low but positive up to the maximum speed of the three-wheeled vehicle. However, the experimental study shows that the mode is unstable at speeds below 8.33m/s. To predict and study this instability in detail, a more refined model of the three-wheeled vehicle, with flexibilities of three important bodies, was constructed in ADAMS/Car. With flexible bodies, three modes of a steering oscillation were observed. Two of these are well damped and the other is lightly damped with negative damping at lower speeds. Simulation results with flexibility incorporated show a good match with the instability observed in the experimental studies. Further, we investigated the effect of each flexible body and found that the flexibility of the steering column is the major contributor for wobble instability and is similar to the wheel shimmy problem in aircraft.

Filling-in Void and Sparse Regions in Protein Sequence Space by Protein-Like Artificial Sequences Enables Remarkable Enhancement in Remote Homology Detection Capability

Protein functional annotation relies on the identification of accurate relationships, sequence divergence being a key factor. This is especially evident when distant protein relationships are demonstrated only with three-dimensional structures. To address this challenge, we describe a computational approach to purposefully bridge gaps between related protein families through directed design of protein-like ``linker'' sequences. For this, we represented SCOP domain families, integrated with sequence homologues, as multiple profiles and performed HMM-HMM alignments between related domain families. Where convincing alignments were achieved, we applied a roulette wheel-based method to design 3,611,010 protein-like sequences corresponding to 374 SCOP folds. To analyze their ability to link proteins in homology searches, we used 3024 queries to search two databases, one containing only natural sequences and another one additionally containing designed sequences. Our results showed that augmented database searches showed up to 30% improvement in fold coverage for over 74% of the folds, with 52 folds achieving all theoretically possible connections. Although sequences could not be designed between some families, the availability of designed sequences between other families within the fold established the sequence continuum to demonstrate 373 difficult relationships. Ultimately, as a practical and realistic extension, we demonstrate that such protein-like sequences can be ``plugged-into'' routine and generic sequence database searches to empower not only remote homology detection but also fold recognition. Our richly statistically supported findings show that complementary searches in both databases will increase the effectiveness of sequence-based searches in recognizing all homologues sharing a common fold. (C) 2013 Elsevier Ltd. All rights reserved.

Polarization-rotation resonances with subnatural widths using a control laser

We demonstrate extremely narrow resonances for polarization rotation in an atomic vapor. The resonances are created using a strong control laser on the same transition, which polarizes the atoms due to optical pumping among the magnetic sublevels. As the power in the control laser is increased, successively higher-order nested polarization-rotation resonances are created, with progressively narrower linewidths. We study these resonances in the D-2 line of Rb in a room temperature vapor cell, and demonstrate a width of 0.14 G for the third-order rotation. The physical basis for the observed resonances is that optical pumping results in a simplified. AV-type level structure with differential dressing of the levels by the control laser, which is why the control power has to be sufficiently high for each resonance to appear. This explanation is borne out by a density-matrix analysis of the system. The dispersive lineshape and subnatural width of the resonance lends itself naturally to applications such as laser locking to atomic transitions and precision measurements. Copyright (c) EPLA, 2014

A mobile robot with a two-degree-of-freedom suspension for traversing uneven terrain with minimal slip: Modeling, simulation and experiments

It is known in literature that a wheeled mobile robot (WMR) with fixed length axle will slip on an uneven terrain. One way to avoid wheel slip is to use a torus-shaped wheel with lateral tilt capability which allows the distance between the wheel-ground contact points to change even with a fixed length axle. Such an arrangement needs a two degree-of-freedom (DOF) suspension for the vertical and lateral tilting motion of the wheel. In this paper modeling, simulation, design and experimentation with a three-wheeled mobile robot, with torus-shaped wheels and a novel two DOF suspension allowing independent lateral tilt and vertical motion, is presented. The suspension is based on a four-bar mechanism and is called the double four-bar (D4Bar) suspension. Numerical simulations show that the three-wheeled mobile robot can traverse uneven terrain with low wheel slip. Experiments with a prototype three-wheeled mobile robot moving on a constructed uneven terrain along a straight line, a circular arc and a path representing a lane change, also illustrate the low slip capability of the three-wheeled mobile robot with the D4Bar suspension. (C) 2015 Elsevier Ltd. All rights reserved.