87 research outputs found

    Performance modelling with the Unified Modelling Language and stochastic process algebras

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    Supramolecular chemistry of helical foldamers at the solid-liquid interface: self-assembled monolayers and anion recognition

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    The synthesis of a redox-active helical foldamer and its immobilization onto a gold electrode are described. These large molecular architectures are grafted in a reproducible manner and provide foldamer-based self-assembled monolayers displaying recognition properties

    Carboxylic acid derivatives of tetrathiafulvalene: key intermediates for the synthesis of redox-active calixarene-based anion receptors

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    A series of calixarene–TTF (TTF=tetrathiafulvalene) receptors incorporating amide binding units for anion recognition have been synthesized and characterized. For this purpose, two synthetically versatile new TTF carboxylic acid derivatives were prepared and characterized by X-ray diffraction, these structures demonstrating the critical role of the carboxylic function in the solid-state organization. Some of the calixarene–amide–TTF assemblies exhibit strong binding of various anions, as shown by 1H NMR titration studies, and one receptor is able to electrochemically respond in the presence of H2PO4−, C6H5CO2− or CH3CO2− anion

    Giant magnetic-field dependence of the coupling between spin Tomonaga-Luttinger liquids in BaCo2V2O8

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    We use nuclear magnetic resonance to map the complete low-temperature phase diagram of the antiferromagnetic Ising-like spin-chain system BaCo2V2O8 as a function of the magnetic field applied along the chains. In contrast to the predicted crossover from the longitudinal incommensurate phase to the transverse antiferromagnetic phase, we find a sequence of three magnetically ordered phases between the critical fields 3.8 T and 22.8 T. Their origin is traced to the giant magnetic-field dependence of the total effective coupling between spin chains, extracted to vary by a factor of 24. We explain this novel phenomenon as emerging from the combination of nontrivially coupled spin chains and incommensurate spin fluctuations in the chains treated as Tomonaga-Luttinger liquids.Comment: 6 pages, 3 figure

    Analysis and visualisation of RDF resources in Ondex

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    An increasing number of biomedical resources provide their information on the Semantic Web and this creates the basis for a distributed knowledge base which has the potential to advance biomedical research [1]. This potential, however, cannot be realized until researchers from the life sciences can interact with information in the Semantic Web. In particular, there is a need for tools that provide data reduction, visualization and interactive analysis capabilities. Ondex is a data integration and visualization platform developed to support Systems Biology Research [2]. At its core is a data model based on two main principles: first, all information can be represented as a graph and, second, all elements of the graph can be annotated with ontologies. This data model conforms to the Semantic Web framework, in particular to RDF, and therefore Ondex is ideally positioned as a platform that can exploit the semantic web. The Ondex system offers a range of features and analysis methods of potential value to semantic web users, including: - An interactive graph visualization interface (Ondex user client), which provides data reduction and representation methods that leverage the ontological annotation. - A suite of importers from a variety of data sources to Ondex (http://ondex.org/formats.html) - A collection of plug-ins which implement graph analysis, graph transformation and graph-matching functions. - An integration toolkit (Ondex Integrator) which allows users to compose workflows from these modular components - In addition, all importers and plug-ins are available as web-services which can be integrated in other tools, as for instance Taverna [3]. The developments that will be presented in this demo have made this functionality interoperable with the Semantic Web framework. In particular we have developed an interactive importer, based on SPARQL that allows the query-driven construction of datasets which brings together information from different RDF data resources into Ondex. These datasets can then be further refined, analysed and annotated both interactively using the Ondex user client and via user-defined workflows. The results of these analyses can be exported in RDF, which can be used to enrich existent knowledge bases, or to provide application-specific views of the data. Both importer and exporter only focus on a subset of the Ondex and RDF data models, which are shared between these two data representations [4]. In this demo we will show how Ondex can be used to query, analyse and visualize Semantic Web knowledge bases. In particular we will present real use cases focused, but not limited to, resources relevant to plant biology. We believe that Ondex can be a valid contribution to the adoption of the Semantic Web in Systems Biology research and in biomedical investigation more generally. We welcome feedback on our current import/export prototype and suggestions for the advancement of Ondex for the Semantic Web. References 1. Ruttenberg, A. et. al.: Advancing translational research with the Semantic Web, BMC Bioinformatics, 8 (Suppl. 3): S2 (2007). 2. Köhler, J., Baumbach, J., Taubert, J., Specht, M., Skusa, A., Ruegg, A., Rawlings, C., Verrier, P., Philippi, S.: Graph-based analysis and visualization of experimental results with Ondex. Bioinformatics 22 (11):1383-1390 (2006). 3. Rawlings, C.: Semantic Data Integration for Systems Biology Research, Technology Track at ISMB’09, http://www.iscb.org/uploaded/css/36/11846.pdf (2009). 4. Splendiani, A. et. al.: Ondex semantic definition, (Web document) http://ondex.svn.sourceforge.net/viewvc/ondex/trunk/doc/semantics/ (2009)
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