Notre Dame Radiation Chemistry Data Center.

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Notre Dame Radiation Chemistry Data Center.

• Keith P. Madden
• Notre Dame Radiation Laboratory

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Mission of the RCDC

• The Radiation Chemistry Data Center (RCDC) is a
  service of the Notre Dame Radiation Laboratory to
  the chemistry, biochemistry, medical, and
  engineering communities. The mission of the data
  center is to
• collect numerical property data from radiation
  chemical and photochemical research literature,
• compile, critically evaluate, and assemble this
  unstructured data into a coherent body of
  knowledge and,
• disseminate it in a useful form for those working
  with the chemistry of transient intermediates.

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Audience of the Data Center.

• Our target audience of chemists, biologists,
  material scientists, physicians, and chemical
  engineers is diverse, representing numerous
  organizations
• Government
• Environmental remediation at weapon sites,
  nuclear waste processing, reactor engineering
  within USDOE
• Basic research radiation chemistry,
  photochemistry, free radical chemistry
• Universities ( radiation biochemistry, oxidative
  stress)
• Industrial laboratories (radiation processing,
  polymer production)
• We provide accurate data for experiment and
  process design in fields as diverse as power
  generation, polymer processing, food
  preservation, pharmaceutical stabilization,
  radiation therapy, and cloud / aerosol chemistry.

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Audience of the Data Center.

• Users of the data center, according to domain
  referenced during web access.

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Activities of the RCDC.

• The activities of the RCDC consist of two major
  components
• First, to collect and perform a continuous,
  comprehensive review of primary sources in the
  radiation chemical, photochemical, and free
  radical literature.
• Publication of Recent Papers in Radiation
  Chemistry and Photochemistry
• Second, to produce and publish critical
  compilations of chemical property data in the
  aforementioned areas from the information
  obtained via the literature review.
• Dissemination of the information thus compiled is
  via the RCDC website (http//www.rcdc.nd.edu) and
  through publication of data compilations in
  journals.

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5000 Papers and monographs per week are
produced in chemistry, physics, and closely
related fields.
Literature review at the RCDC
Typically, there are 700 - 900 candidate
publications per week. These are examined for
relevance. Papers containing chemical property
data are indexed for our bibliographic database,
and a copy is obtained for compilation
construction (200 per week).
Bibliographic citation and abstracts from these
papers and monographs are obtained in electronic
form.
The list of relevant recent papers is published
on our web site as our current awareness service.
This information is compared to our indexing
thesaurus and database of active researchers
yielding a set of candidate publications for
inclusion in our database.
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Compilation Preparation and Publication. The
current priority updating Critical Review of
Rate Constants for Reactions of Hydrated
Electrons, Hydrogen Atoms, and Hydroxyl Radicals
in Aqueous Solution.
Research papers are collected as part of the
literature review. Detailed keywording of
research papers, data extraction to XML metadata
form, initial data evaluation, preliminary web
page preparation and database entry occur
in-house at RCDC. External data reviewers check
accuracy of web pages and database entries, and
evaluate the quality of the numerical data
extracted from the paper. Final web pages and
database entries are made. Recommended values for
the numerical data are made if warranted.
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Information access via the RCDC web site

• Although the RCDC website is accessible without
  charge, detailed records are kept of visits to
  the site to enable RCDC personnel to determine
  appropriate design improvements and the chemical
  topics of interest to our user base.
• Visits to the RCDC website generally fall into
  four categories
• kinetics searching ( 300 searches per week)
• bibliographic searching (100 searches per week)
• kinetics browsing (2800 pages viewed per week)
• current awareness browsing ( 2400 pages viewed
  per week --may be prompted by email notification
  of 350 users on our mailing list)

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Current Data Projects.

• Both data projects and infrastructure development
  are planned
• To initiate and complete an update to the
  "Critical Review of Rate Constants for Reactions
  of Hydroxyl Radicals" to include the period
  1996-2004.
• To complete and publish Critical Review of Rate
  Constants for Reactions of Hydrogen Atoms in
  Aqueous Solution in the open literature.
• To continue the biweekly publication of our
  web-based current awareness service, Recent
  Papers in Photochemistry and Radiation Chemistry.

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Current Infrastrucure Projects.

• Infrastructure development projects proposed
• Define and implement XML (extended markup
  language) data encoding for chemical property
  data in addition to rate constants, such as
  reduction potentials, free radical structural
  information, and transient spectra.
• Develop collaborative on line tools for the input
  and evaluation of chemical property data during
  the compilation process.
• Develop and implement data interchange standards
  and software to enable us to interoperate
  efficiently with our collaborators at NIST.