A case of four-coordinate silver(I) adopting a high energy planar geometry. Experiment and theory

The ligands PhL and MeL are obtained by condensing 2-formylpyridine with benzil dihydrazone and diacetyl dihydrazone, respectively, in 2: 1 molar proportion. With silver( I), PhL yields a double-stranded dinuclear cationic helicate 1 in which the metal is tetrahedral but MeL gives a cationic one-dimensional polymeric complex 2 where silver( I) is distorted square planar and the ligand backbone is nearly planar. In both complexes, metal: ligand ratio is 1: 1. Ab initio calculations on the ligands at the HF/6-31+G* level reveal that while PhL strongly prefers a helical conformation, MeL has a natural inclination to remain in a planar conformation. Density functional theory calculations on model silver( I) complexes show that formation of the linear polymer in the case of MeL is also an important factor in imposing the planar geometry of Ag(I) in 2.

An unprecedented mononuclear double helicate with a square planar metal ion

Reactions of the 1:2 condensate (L) of benzil dihydrazone and 1-methyl-2-imidazole carboxaldehyde with Cd(ClO4)(2)center dot xH(2)O and CdI2 yield [CdL2]( ClO4)(2) (1) and LCdI2 (2), respectively. The yellow ligand L, and its yellow complexes 1 and 2 are characterized by NMR and single crystal X-ray diffraction. Though L contains four N-donor centers, 1 is found to be a four-coordinate double helicate with a square planar Cd(II)N-4 core and 2 a spiral coordination polymer with tetrahedral Cd(II)N2I2 moieties. The bidentate nature of L and the occurrence of the square planar coordination of Cd( II) is explained by DFT calculations. (c) 2007 Elsevier B. V. All rights reserved.

Square planar mononuclear Pd(II) complexes of substituted 2-(pyrazole-1-yl)phenylamines with a helical twist

X-ray crystal structure shows that 3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazole (DNP) belongs to the rare class of helically twisted synthetic organic molecules. Hydrogenation of DNP gives 2-(3,5-dimethylpyrazole-1-yl)phenylamine (L) which on methylation yields [2-(3,5-dimethylpyrazole-1-yl)phenyl]dimethylamine (L'). Two Pd(II) complexes, PdLCl2 (1) and PdL'Cl-2 (2), are synthesized and characterized by NMR. X-ray crystallography reveals that 1 and 2 are unprecedented square planar complexes which possess well discernible helical twists. (C) 2007 Elsevier B.V. All rights reserved.

Carbohydrate-based anti-adhesive inhibition of Vibrio cholerae toxin binding to GM1-OS immobilized into artificial planar lipid membranes

We have studied 'food grade' sialyloligosaccharides (SOS) as anti-adhesive drugs or receptor analogues, since the terminal sialic acid residue has already been shown to contribute significantly to the adhesion and pathogenesis of the Vibrio cholerae toxin (Ctx). GM1-oligosaccharide (GM1-OS) was immobilized into a supporting POPC lipid bilayer onto a surface plasmon resonance (SPR) chip, and the interaction between uninhibited Ctx and GM1-OS-POPC was measured. SOS inhibited 94.7% of the Ctx binding to GM1-OS-POPC at 10 mg/mL. The SOS EC50 value of 5.521 mg/mL is high compared with 0.2811 mu g/mL (182.5 pM or 1.825 x 10(-10) M) for GM1-OS. The commercially available sialyloligosaccharide (SOS) mixture Sunsial E (R) is impure, containing one monosialylated and two disialylated oligosaccharides in the ratio 9.6%. 6.5% and 17.5%, respectively, and 66.4% protein. However, these inexpensive food-grade molecules are derived from egg yolk and could be used to fortify conventional food additives, by way of emulsifiers, sweeteners and/or preservatives. The work further supports our hypothesis that SOS could be a promising natural anti-adhesive glycomimetic against Ctx and prevent subsequent onset of disease. (C) 2009 Elsevier Ltd. All rights reserved

Development of multi-electrode array screening for anticonvulsants in acute rat brain slices

The acute hippocampal brain slice preparation is an important in vitro screening tool for potential anticonvulsants. Application of 4-aminopyridine (4-AP) or removal of external Mg2+ ions induces epileptiform bursting in slices which is analogous to electrical brain activity seen in status epilepticus states. We have developed these epileptiform models for use with multi-electrode arrays (MEAs), allowing recording across the hippocampal slice surface from 59 points. We present validation of this novel approach and analyses using two anticonvulsants, felbamate and phenobarbital, the effects of which have already been assessed in these models using conventional extracellular recordings. In addition to assessing drug effects on commonly described parameters (duration, amplitude and frequency), we describe novel methods using the MEA to assess burst propagation speeds and the underlying frequencies that contribute to the epileptiform activity seen. Contour plots are also used as a method of illustrating burst activity. Finally, we describe hitherto unreported properties of epileptiform, bursting induced by 100 mu M 4-AP or removal of external Mg2+ ions. Specifically, we observed decreases over time in burst amplitude and increase over time in burst frequency in the absence of additional pharmacological interventions. These MEA methods enhance the depth, quality and range of data that can be derived from the hippocampal slice preparation compared to conventional extracellular recordings. it may also uncover additional modes of action that contribute to anti-epileptiform drug effects. (C) 2009 Elsevier B.V. All rights reserved.

Autonomous execution of tasks by swarm carrier agents in swarm-array computing

How can a bridge be built between autonomic computing approaches and parallel computing system? The work reported in this paper is motivated towards bridging this gap by proposing swarm-array computing, a novel technique to achieve autonomy for distributed parallel computing systems. Among three proposed approaches, the second approach, namely 'Intelligent Agents' is of focus in this paper. The task to be executed on parallel computing cores is considered as a swarm of autonomous agents. A task is carried to a computing core by carrier. agents and can be seamlessly transferred between cores in the event of a pre-dicted failure, thereby achieving self-ware objectives of autonomic computing. The feasibility of the proposed approach is validated on a multi-agent simulator.

Intelligent agents: are they feasible in swarm-array computing?

The work reported in this paper proposes 'Intelligent Agents', a Swarm-Array computing approach focused to apply autonomic computing concepts to parallel computing systems and build reliable systems for space applications. Swarm-array computing is a robotics a swarm robotics inspired novel computing approach considered as a path to achieve autonomy in parallel computing systems. In the intelligent agent approach, a task to be executed on parallel computing cores is considered as a swarm of autonomous agents. A task is carried to a computing core by carrier agents and can be seamlessly transferred between cores in the event of a predicted failure, thereby achieving self-* objectives of autonomic computing. The approach is validated on a multi-agent simulator.

Intelligent cores and intelligent agents: two approaches to achieve autonomy in swarm-array computing

How can a bridge be built between autonomic computing approaches and parallel computing systems? How can autonomic computing approaches be extended towards building reliable systems? How can existing technologies be merged to provide a solution for self-managing systems? The work reported in this paper aims to answer these questions by proposing Swarm-Array Computing, a novel technique inspired from swarm robotics and built on the foundations of autonomic and parallel computing paradigms. Two approaches based on intelligent cores and intelligent agents are proposed to achieve autonomy in parallel computing systems. The feasibility of the proposed approaches is validated on a multi-agent simulator.

Building reliable systems for space applications using swarm-array computing

Space applications demand the need for building reliable systems. Autonomic computing defines such reliable systems as self-managing systems. The work reported in this paper combines agent-based and swarm robotic approaches leading to swarm-array computing, a novel technique to achieve self-managing distributed parallel computing systems. Two swarm-array computing approaches based on swarms of computational resources and swarms of tasks are explored. FPGA is considered as the computing system. The feasibility of the two proposed approaches that binds the computing system and the task together is simulated on the SeSAm multi-agent simulator.

Building reliable systems for space applications using swarm-array computing

Space applications demand the need for building reliable systems. Autonomic computing defines such reliable systems as self-managing systems. The work reported in this paper combines agent-based and swarm robotic approaches leading to swarm-array computing, a novel technique to achieve self-managing distributed parallel computing systems. Two swarm-array computing approaches based on swarms of computational resources and swarms of tasks are explored. FPGA is considered as the computing system. The feasibility of the two proposed approaches that binds the computing system and the task together is simulated on the SeSAm multi-agent simulator.

Investigating the feasibility of a swarm-array computing approach

The work reported in this paper proposes a novel synergy between parallel computing and swarm robotics to offer a new computing paradigm, 'swarm-array computing' that can harness and apply autonomic computing for parallel computing systems. One approach among three proposed approaches in swarm-array computing based on landscapes of intelligent cores, in which the cores of a parallel computing system are abstracted to swarm agents, is investigated. A task is executed and transferred seamlessly between cores in the proposed approach thereby achieving self-ware properties that characterize autonomic computing. FPGAs are considered as an experimental platform taking into account its application in space robotics. The feasibility of the proposed approach is validated on the SeSAm multi-agent simulator.

An autonomic approach in swarm-array computing

Can autonomic computing concepts be applied to traditional multi-core systems found in high performance computing environments? In this paper, we propose a novel synergy between parallel computing and swarm robotics to offer a new computing paradigm, `Swarm-Array Computing' that can harness and apply autonomic computing for parallel computing systems. One approach among three proposed approaches in swarm-array computing based on landscapes of intelligent cores, in which the cores of a parallel computing system are abstracted to swarm agents, is investigated. A task gets executed and transferred seamlessly between cores in the proposed approach thereby achieving self-ware properties that characterize autonomic computing. FPGAs are considered as an experimental platform taking into account its application in space robotics. The feasibility of the proposed approach is validated on the SeSAm multi-agent simulator.

Tools for regularizing Array Designs

This paper makes a contribution in bridging the theory and practice of the polyhedral model for designing parallel algorithms. Although the theory of polyhedral model is well developed, designers of massively parallel algorithms are unable to benefit from the theory due to the lack of software tools that incorporate the wide range of transformations that are possible in the model. The Uniformization tool that we developed was the first to integrate a number of techniques and to completely automate the transformation step allowing designers to explore a wide range of feasible designs from high-level specifications.

Towards self-ware via swarm-array computing

The work reported in this paper proposes Swarm-Array computing, a novel technique inspired by swarm robotics, and built on the foundations of autonomic and parallel computing. The approach aims to apply autonomic computing constructs to parallel computing systems and in effect achieve the self-ware objectives that describe self-managing systems. The constitution of swarm-array computing comprising four constituents, namely the computing system, the problem/task, the swarm and the landscape is considered. Approaches that bind these constituents together are proposed. Space applications employing FPGAs are identified as a potential area for applying swarm-array computing for building reliable systems. The feasibility of a proposed approach is validated on the SeSAm multi-agent simulator and landscapes are generated using the MATLAB toolkit.