Near infrared light emission quenching in organolanthanide complexes

We investigate the quenching of the near infrared light emission in Er3+ complexes induced by the resonant dipolar interaction between the rare-earth ion and high frequency vibrations of the organic ligand. The nonradiative decay rate of the lanthanide ion is discussed in terms of a continuous medium approximation, which depends only on a few, easily accessible spectroscopic and structural data. The model accounts well for the available experimental results in Er3+ complexes, and predicts an similar to 100% light emission quantum yield in fully halogenated systems

The Index-Based Subgraph Matching Algorithm (ISMA): Fast Subgraph Enumeration in Large Networks Using Optimized Search Trees

Subgraph matching algorithms are designed to find all instances of predefined subgraphs in a large graph or network and play an important role in the discovery and analysis of so-called network motifs, subgraph patterns which occur more often than expected by chance. We present the index-based subgraph matching algorithm (ISMA), a novel tree-based algorithm. ISMA realizes a speedup compared to existing algorithms by carefully selecting the order in which the nodes of a query subgraph are investigated. In order to achieve this, we developed a number of data structures and maximally exploited symmetry characteristics of the subgraph. We compared ISMA to a naive recursive tree-based algorithm and to a number of well-known subgraph matching algorithms. Our algorithm outperforms the other algorithms, especially on large networks and with large query subgraphs. An implementation of ISMA in Java is freely available at http://sourceforge.net/projects/isma

OrChem - An open source chemistry search engine for Oracle®

<p>Abstract</p> <p>Background</p> <p>Registration, indexing and searching of chemical structures in relational databases is one of the core areas of cheminformatics. However, little detail has been published on the inner workings of search engines and their development has been mostly closed-source. We decided to develop an open source chemistry extension for Oracle, the de facto database platform in the commercial world.</p> <p>Results</p> <p>Here we present OrChem, an extension for the Oracle 11G database that adds registration and indexing of chemical structures to support fast substructure and similarity searching. The cheminformatics functionality is provided by the Chemistry Development Kit. OrChem provides similarity searching with response times in the order of seconds for databases with millions of compounds, depending on a given similarity cut-off. For substructure searching, it can make use of multiple processor cores on today's powerful database servers to provide fast response times in equally large data sets.</p> <p>Availability</p> <p>OrChem is free software and can be redistributed and/or modified under the terms of the GNU Lesser General Public License as published by the Free Software Foundation. All software is available via <url>http://orchem.sourceforge.net</url>.</p

Functional evidence of mTORβ splice variant involvement in the pathogenesis of congenital heart defects

mTOR dysregulation has been described in pathological conditions, such as cardiovascular and overgrowth disorders. Here we report on the first case of a patient with a complex congenital heart disease and an interstitial duplication in the short arm of chromosome 1, encompassing part of the mTOR gene. Our results suggest that an intragenic mTOR microduplication might play a role in the pathogenesis of non-syndromic congenital heart defects (CHDs) due to an upregulation of mTOR/Rictor and consequently an increased phosphorylation of PI3K/AKT and MEK/ERK signaling pathways in patient-derived amniocytes. This is the first report which shows a causative role of intragenic mTOR microduplication in the etiology of an isolated complex CHD

The Enactment of Professional Learning Policies: Performativity and Multiple Ontologies

While teacher learning has become a locus of school reform across many international settings, there is relatively little examination of the idiosyncratic ways in which policy discourses on teacher learning are enacted in schools. In this paper, we aim to investigate how these policy discourses are translated and configured into practices and thus, enacted into concrete realities. Using the conceptual notion of multiple ontologies proposed by Mol (1999; 2004), we argue that teacher learning is actualized in a multiplicity of socio-material entanglements, not as a single reality, but as a multiplicity of realities that coexist, simultaneously, in the mesh of assemblages that we call “school”. In this study, we describe and trace how particular socio-material configurations of teacher learning produce concrete realities of practice that mobilize and generate specific networked effects. We conclude that the postulation of multiple ontologies of teacher learning prompts a shift in how policy makers could conceive of and develop strategies aimed at transforming teaching practices

Experimental Evaluation of Subgraph Isomorphism Solvers

International audienceSubgraph Isomorphism (SI) is an NP-complete problem which is at the heart of many structural pattern recognition tasks as it involves finding a copy of a pattern graph into a target graph. In the pattern recognition community, the most well-known SI solvers are VF2, VF3, and RI. SI is also widely studied in the constraint programming community, and many constraint-based SI solvers have been proposed since Ullman, such as LAD and Glasgow, for example. All these SI solvers can solve very quickly some large SI instances, that involve graphs with thousands of nodes. However, McCreesh et al. have recently shown how to randomly generate SI instances the hardness of which can be controlled and predicted, and they have built small instances which are computationally challenging for all solvers. They have also shown that some small instances, which are predicted to be easy and are easily solved by constraint-based solvers, appear to be challenging for VF2 and VF3. In this paper, we widen this study by considering a large test suite coming from eight benchmarks. We show that, as expected for an NP-complete problem, the solving time of an instance does not depend on its size, and that some small instances coming from real applications are not solved by any of the considered solvers. We also show that, if RI and VF3 can solve very quickly a large number of easy instances, for which Glasgow or LAD need more time, they fail at solving some other instances that are quickly solved by Glasgow or LAD, and they are clearly outperformed by Glasgow on hard instances. Finally, we show that we can easily combine solvers to take benefit of their complementarity

Roadmaps to Utopia: Tales of the Smart City

Notions of the Smart City are pervasive in urban development discourses. Various frameworks for the development of smart cities, often conceptualized as roadmaps, make a number of implicit claims about how smart city projects proceed but the legitimacy of those claims is unclear. This paper begins to address this gap in knowledge. We explore the development of a smart transport application, MotionMap, in the context of a £16M smart city programme taking place in Milton Keynes, UK. We examine how the idealized smart city narrative was locally inflected, and discuss the differences between the narrative and the processes and outcomes observed in Milton Keynes. The research shows that the vision of data-driven efficiency outlined in the roadmaps is not universally compelling, and that different approaches to the sensing and optimization of urban flows have potential for empowering or disempowering different actors. Roadmaps tend to emphasize the importance of delivering quick practical results. However, the benefits observed in Milton Keynes did not come from quick technical fixes but from a smart city narrative that reinforced existing city branding, mobilizing a growing network of actors towards the development of a smart region. Further research is needed to investigate this and other smart city developments, the significance of different smart city narratives, and how power relationships are reinforced and constructed through them