Big and little Meccano

The emergence of the mechanical bond during the past 25 years is giving chemistry a fillip in more ways than one. While its arrival on the scene is already impacting materials science and molecular nanotechnology, it is providing a new lease of life to chemical synthesis where mechanical bond formation Occurs as a consequence of the all-important templation Orchestrated by molecular recognition and self-assembly. The way in which covalent bond formation activates noncovalent bonding interactions, switching on molecular recognition that leads to self-assembly, and the template-directed synthesis of mechanically interlocked molecules-of which the so-called catenanes and rotaxanes may be regarded as the prototypes-has introduced a level of integration into chemical synthesis that has not previously been attained jointly at the supramolecular and molecular levels. The challenge now is to carry this I vel of integration during molecular synthesis beyond relatively small molecules into the realms of precisely functionalized extended molecular Structures and superstructures that perform functions in a collective manner as the key sources of instruction, activation, and performance in multi-component integrated Circuits and devices. These forays into organic chemistry by a scientific nomad are traced through thick and thin from the Athens of the North to the Windy City by Lake Michigan with interludes on the edge of the Canadian Shield beside Lake Ontario, in the Socialist Republic of South Yorkshire, on the Plains of Cheshire beside the Wirral, in the Midlands in the Heartland of Albion, and in the City of Angels beside the Peaceful Sea. (C) 2008 Elsevier Ltd. All rights reserved.

Participative modelling and big issues: defining features of system dynamics?

In this article the author discusses participative modelling in system dynamics and issues underlying it. It states that in the heart of system dynamics is the servo-mechanism theory. It argues that it is wrong to see an optimal solution being applied by the empowered parties just because it exhibits self-evident truth and an analysis is not enough to encourage people to do things in different way. It mentions other models including the simulation models used for developing strategy discussions.

Storing and manipulating environmental big data with JASMIN

JASMIN is a super-data-cluster designed to provide a high-performance high-volume data analysis environment for the UK environmental science community. Thus far JASMIN has been used primarily by the atmospheric science and earth observation communities, both to support their direct scientific workflow, and the curation of data products in the STFC Centre for Environmental Data Archival (CEDA). Initial JASMIN configuration and first experiences are reported here. Useful improvements in scientific workflow are presented. It is clear from the explosive growth in stored data and use that there was a pent up demand for a suitable big-data analysis environment. This demand is not yet satisfied, in part because JASMIN does not yet have enough compute, the storage is fully allocated, and not all software needs are met. Plans to address these constraints are introduced.

Cloud computing in e-science: research challenges and opportunities

SOA (Service Oriented Architecture), workflow, the Semantic Web, and Grid computing are key enabling information technologies in the development of increasingly sophisticated e-Science infrastructures and application platforms. While the emergence of Cloud computing as a new computing paradigm has provided new directions and opportunities for e-Science infrastructure development, it also presents some challenges. Scientific research is increasingly finding that it is difficult to handle “big data” using traditional data processing techniques. Such challenges demonstrate the need for a comprehensive analysis on using the above mentioned informatics techniques to develop appropriate e-Science infrastructure and platforms in the context of Cloud computing. This survey paper describes recent research advances in applying informatics techniques to facilitate scientific research particularly from the Cloud computing perspective. Our particular contributions include identifying associated research challenges and opportunities, presenting lessons learned, and describing our future vision for applying Cloud computing to e-Science. We believe our research findings can help indicate the future trend of e-Science, and can inform funding and research directions in how to more appropriately employ computing technologies in scientific research. We point out the open research issues hoping to spark new development and innovation in the e-Science field.