Internet based molecular collaborative and publishing tools

The scientific electronic publishing model has hitherto been an Internet based delivery of electronic articles that are essentially replicas of their paper counterparts. They contain little in the way of added semantics that may better expose the science, assist the peer review process and facilitate follow on collaborations, even though the enabling technologies have been around for some time and are mature. This thesis will examine the evolution of chemical electronic publishing over the past 15 years. It will illustrate, which the help of two frameworks, how publishers should be exploiting technologies to improve the semantics of chemical journal articles, namely their value added features and relationships with other chemical resources on the Web. The first framework is an early exemplar of structured and scalable electronic publishing where a Web content management system and a molecular database are integrated. It employs a test bed of articles from several RSC journals and supporting molecular coordinate and connectivity information. The value of converting 3D molecular expressions in chemical file formats, such as the MOL file, into more generic 3D graphics formats, such as Web3D, is assessed. This exemplar highlights the use of metadata management for bidirectional hyperlink maintenance in electronic publishing. The second framework repurposes this metadata management concept into a Semantic Web application called SemanticEye. SemanticEye demonstrates how relationships between chemical electronic articles and other chemical resources are established. It adapts the successful semantic model used for digital music metadata management by popular applications such as iTunes. Globally unique identifiers enable relationships to be established between articles and other resources on the Web and SemanticEye implements two: the Document Object Identifier (DOI) for articles and the IUPAC International Chemical Identifier (InChI) for molecules. SemanticEye’s potential as a framework for seeding collaborations between researchers, who have hitherto never met, is explored using FOAF, the friend-of-a-friend Semantic Web standard for social networks

Planning for the Lifecycle Management and Long-Term Preservation of Research Data: A Federated Approach

Outcomes of the grant are archived here.The “data deluge” is a recent but increasingly well-understood phenomenon of scientific and social inquiry. Large-scale research instruments extend our observational power by many orders of magnitude but at the same time generate massive amounts of data. Researchers work feverishly to document and preserve changing or disappearing habitats, cultures, languages, and artifacts resulting in volumes of media in various formats. New software tools mine a growing universe of historical and modern texts and connect the dots in our semantic environment. Libraries, archives, and museums undertake digitization programs creating broad access to unique cultural heritage resources for research. Global-scale research collaborations with hundreds or thousands of participants, drive the creation of massive amounts of data, most of which cannot be recreated if lost. The University of Kansas (KU) Libraries in collaboration with two partners, the Greater Western Library Alliance (GWLA) and the Great Plains Network (GPN), received an IMLS National Leadership Grant designed to leverage collective strengths and create a proposal for a scalable and federated approach to the lifecycle management of research data based on the needs of GPN and GWLA member institutions.Institute for Museum and Library Services LG-51-12-0695-1

Development of self-archiving tools to support archiving, analysis and re-use of qualitative data

The potential to share and re-use qualitative archived data has garnered much interest in recent years. This increased attention can be attributed mainly to advances in both data documentation standards and digital archiving technologies, which provide users with the ability to archive, share and disseminate qualitative research materials. However, there remain theoretical and epistemological barriers to and implications for the sharing and re-use of qualitative study data. One way to address these issues is by studying research practices (with practitioners’ active involvement), in combination with developing software tools that support digital archiving of qualitative studies. Semantic technologies, combined with metadata standards and documentation schemas have the potential to enhance qualitative data documentation, archiving and analysis. In fact, it has been established that data documentation is one of the key elements that enables data archiving. The use of appropriate standard documentation frameworks is crucial to data archives’ exposure and has a direct impact on the discoverability, search and retrieval of archived data. The technological aspect of this study has been the development of a self-archiving toolkit that makes use of such technologies. The purpose of this work was to allow users, with varying levels of research experience (e.g. from undergraduate student researchers up to more experienced senior researchers) to avail of the benefits offered by qualitative digital archiving. To complement the technological developments undertaken, the present study also explored the practices of different researchers: undergraduate student researchers, researchers involved in teaching research-oriented modules, as well as senior researchers. This exploration focused on the collection, organisation, analysis and presentation of qualitative data and how these relate to and can be supported by digital archiving to enable researchers to organise, disseminate, and visualise research collections

PREDON Scientific Data Preservation 2014

LPSC14037Scientific data collected with modern sensors or dedicated detectors exceed very often the perimeter of the initial scientific design. These data are obtained more and more frequently with large material and human efforts. A large class of scientific experiments are in fact unique because of their large scale, with very small chances to be repeated and to superseded by new experiments in the same domain: for instance high energy physics and astrophysics experiments involve multi-annual developments and a simple duplication of efforts in order to reproduce old data is simply not affordable. Other scientific experiments are in fact unique by nature: earth science, medical sciences etc. since the collected data is "time-stamped" and thereby non-reproducible by new experiments or observations. In addition, scientific data collection increased dramatically in the recent years, participating to the so-called "data deluge" and inviting for common reflection in the context of "big data" investigations. The new knowledge obtained using these data should be preserved long term such that the access and the re-use are made possible and lead to an enhancement of the initial investment. Data observatories, based on open access policies and coupled with multi-disciplinary techniques for indexing and mining may lead to truly new paradigms in science. It is therefore of outmost importance to pursue a coherent and vigorous approach to preserve the scientific data at long term. The preservation remains nevertheless a challenge due to the complexity of the data structure, the fragility of the custom-made software environments as well as the lack of rigorous approaches in workflows and algorithms. To address this challenge, the PREDON project has been initiated in France in 2012 within the MASTODONS program: a Big Data scientific challenge, initiated and supported by the Interdisciplinary Mission of the National Centre for Scientific Research (CNRS). PREDON is a study group formed by researchers from different disciplines and institutes. Several meetings and workshops lead to a rich exchange in ideas, paradigms and methods. The present document includes contributions of the participants to the PREDON Study Group, as well as invited papers, related to the scientific case, methodology and technology. This document should be read as a "facts finding" resource pointing to a concrete and significant scientific interest for long term research data preservation, as well as to cutting edge methods and technologies to achieve this goal. A sustained, coherent and long term action in the area of scientific data preservation would be highly beneficial

Engineering Agile Big-Data Systems

To be effective, data-intensive systems require extensive ongoing customisation to reflect changing user requirements, organisational policies, and the structure and interpretation of the data they hold. Manual customisation is expensive, time-consuming, and error-prone. In large complex systems, the value of the data can be such that exhaustive testing is necessary before any new feature can be added to the existing design. In most cases, the precise details of requirements, policies and data will change during the lifetime of the system, forcing a choice between expensive modification and continued operation with an inefficient design.Engineering Agile Big-Data Systems outlines an approach to dealing with these problems in software and data engineering, describing a methodology for aligning these processes throughout product lifecycles. It discusses tools which can be used to achieve these goals, and, in a number of case studies, shows how the tools and methodology have been used to improve a variety of academic and business systems

Towards Interoperable Research Infrastructures for Environmental and Earth Sciences

This open access book summarises the latest developments on data management in the EU H2020 ENVRIplus project, which brought together more than 20 environmental and Earth science research infrastructures into a single community. It provides readers with a systematic overview of the common challenges faced by research infrastructures and how a ‘reference model guided’ engineering approach can be used to achieve greater interoperability among such infrastructures in the environmental and earth sciences. The 20 contributions in this book are structured in 5 parts on the design, development, deployment, operation and use of research infrastructures. Part one provides an overview of the state of the art of research infrastructure and relevant e-Infrastructure technologies, part two discusses the reference model guided engineering approach, the third part presents the software and tools developed for common data management challenges, the fourth part demonstrates the software via several use cases, and the last part discusses the sustainability and future directions

Building information modeling – A game changer for interoperability and a chance for digital preservation of architectural data?

Digital data associated with the architectural design-andconstruction process is an essential resource alongside -and even past- the lifecycle of the construction object it describes. Despite this, digital architectural data remains to be largely neglected in digital preservation research – and vice versa, digital preservation is so far neglected in the design-and-construction process. In the last 5 years, Building Information Modeling (BIM) has seen a growing adoption in the architecture and construction domains, marking a large step towards much needed interoperability. The open standard IFC (Industry Foundation Classes) is one way in which data is exchanged in BIM processes. This paper presents a first digital preservation based look at BIM processes, highlighting the history and adoption of the methods as well as the open file format standard IFC (Industry Foundation Classes) as one way to store and preserve BIM data

Validation Framework for RDF-based Constraint Languages

In this thesis, a validation framework is introduced that enables to consistently execute RDF-based constraint languages on RDF data and to formulate constraints of any type. The framework reduces the representation of constraints to the absolute minimum, is based on formal logics, consists of a small lightweight vocabulary, and ensures consistency regarding validation results and enables constraint transformations for each constraint type across RDF-based constraint languages

Engineering Agile Big-Data Systems

To be effective, data-intensive systems require extensive ongoing customisation to reflect changing user requirements, organisational policies, and the structure and interpretation of the data they hold. Manual customisation is expensive, time-consuming, and error-prone. In large complex systems, the value of the data can be such that exhaustive testing is necessary before any new feature can be added to the existing design. In most cases, the precise details of requirements, policies and data will change during the lifetime of the system, forcing a choice between expensive modification and continued operation with an inefficient design.Engineering Agile Big-Data Systems outlines an approach to dealing with these problems in software and data engineering, describing a methodology for aligning these processes throughout product lifecycles. It discusses tools which can be used to achieve these goals, and, in a number of case studies, shows how the tools and methodology have been used to improve a variety of academic and business systems