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Bringing Flow Injection Analysis
to the Semantic Web
http://www.fia.unf.edu
Stuart J. Chalk, Department of Chemistry
University of North Florida
schalk@unf.edu
ANYL 430 – Pacifichem 2015
 History
 Original Website
 New Website Philosophy
 Semantic Annotation – What Does it Mean?
 REST Style Website and API
 The Chemical Analysis Metadata Platform
 The Flow Analysis Ontology
 User Capabilities
 Technology
 Demo of New Website
 Future Plans
 Take Home
Outline
A History of the
Flow Analysis Database (FAD)
 Citations original came from the Tecator bibliographies and the
bibilographies published in “Flow Injection Analysis” 1st and 2nd
Editions (Ruzicka and Hansen)
 First Online January 1997 (Apache, Lasso)
 Revised in 2003 (Apache, PHP, MySQL)
 Continually upgraded through 2007
 Contributions from some FIA researchers
 Pioneering work by Jarda Ruzicka, Elo Hansen, Gary Christian
 Graham Marshall, Koos van Staden, Bo Karlberg, Victor Cerda
 Still used but technology limited
 Supported by one person
The Current FAD Website
The Current FAD Website
 Engage the community
 Significantly enhance the functionality
 Bring the site up to date with current web technologies
 Add user accounts
 Provide data for integration into other websites
 Integrate data from other websites
 Supported, updated, developed by the community
New Website Philosophy
 Representational State Transfer (REST)
 URL written with an indication of the content returned
 The response to requested the REST URL contains a
snapshot of data as it currently stands (always true)
 REST style URLs typical do not have GET variables
appended to the end
 Application Programming Interface
 http://chalk.coas.unf.edu/fad/citations/view/[id]/[format]
 http://chalk.coas.unf.edu/fad/citations/view/7112/XML
REST Website and API
 Providing computer interpretable meanings to concepts
 Uses the Resource Description Framework (RDF)
Semantic Annotation Means?
<?xml version="1.0"?>
<rdf:RDF
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
xmlns:fao="https://chalk.coas.unf.edu/fad/files/ontology/fao.owl
<rdf:Description rdf:about="https://www.fia.unf.edu/ANCH1994V0066P00660">
<rdfs:label>ANCH1994V0066P00660</rdfs:label>
<fao:Interference/>
<fao:Reverse/>
<fao:Sensitivity/>
<fao:Dispersion/>
</rdf:Description>
</rdf:RDF>
Chemical Analysis
Ontology (CAO)
Chemical Analysis
Ontology (CAO)
 Use the existing keywords that characterize the citations
 Categorize (group) the keywords into different types
 Create an ontology document in the Web Ontology
Language (OWL)
 Add ontological term entries to the ontology file using
Protégé
 Add definitions of terms in the ontology (ongoing)
 Each term has a unique entity definition
 Make the ontology available online and users can
reference the ontological terms in their work
The Flow Analysis Ontology
The Flow
Analysis
Ontology
(Alpha version)
 User account
 Personal citation database (in development)
 “My Publications”
 Primary Author metadata
 User preferences
 ORCID Integration (in development)
 Language Support (in development)
User Capabilities
 CakePHP 2.7 PHP Framework (http://cakephp.org)
 Apache 2.4 webserver (http://httpd.apache.org)
 PHP 5.6 (http://www.php.org)
 MySQL 5.5 (http://www.mysql.com)
 jQuery (JavaScript) (http://jquery.com)
 Jsmol (http://jmol.org)
 Bootstrap CSS (http://getbootstrap)
 eXtensible Markup Language (http://www.w3.org/TR/xml/)
 JavaScript Object Notation (JSON) (http://json.org)
 JSON for Linked Data (JSON-LD) (http://www.w3.org/TR/json-ld/)
Technologies
Live Demo
Alpha Version Development Site @
https://chalk.coas.unf.edu/fad/
 Phase I
 Beta version of new website by April 2016
 Phase II
 Add citations from 2007-present
 Metadata and abstracts
 User annotation of these new articles
 Integration of CrossRef for improvement of metadata
 Fedora-Commons integration
 Text extraction training and optimization
 Phase III
 Text extraction from all PDFs
 Text cleanup based on training set
 Full-text search implementation
Future Plans
Take Home
 The new version of the FAD website:
 Builds capabilities based on the existing citation metadata
 Encourages community involvement
 Brings flow injection methodologies to the semantic web
 Integrates with external websites
 schalk@unf.edu
 Phone: 904-620-1938
 Skype: stuartchalk
 Twitter: @StuChalk
 LinkedIn/Slidehare: https://www.linkedin.com/in/stuchalk
 ORCID: http://orcid.org/0000-0002-0703-7776
 ResearcherID: http://www.researcherid.com/rid/D-8577-2013
Questions?

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Bringing Flow injection Analysis to the Semantic Web

  • 1. Bringing Flow Injection Analysis to the Semantic Web http://www.fia.unf.edu Stuart J. Chalk, Department of Chemistry University of North Florida schalk@unf.edu ANYL 430 – Pacifichem 2015
  • 2.  History  Original Website  New Website Philosophy  Semantic Annotation – What Does it Mean?  REST Style Website and API  The Chemical Analysis Metadata Platform  The Flow Analysis Ontology  User Capabilities  Technology  Demo of New Website  Future Plans  Take Home Outline
  • 3. A History of the Flow Analysis Database (FAD)  Citations original came from the Tecator bibliographies and the bibilographies published in “Flow Injection Analysis” 1st and 2nd Editions (Ruzicka and Hansen)  First Online January 1997 (Apache, Lasso)  Revised in 2003 (Apache, PHP, MySQL)  Continually upgraded through 2007  Contributions from some FIA researchers  Pioneering work by Jarda Ruzicka, Elo Hansen, Gary Christian  Graham Marshall, Koos van Staden, Bo Karlberg, Victor Cerda  Still used but technology limited  Supported by one person
  • 4. The Current FAD Website
  • 5. The Current FAD Website
  • 6.  Engage the community  Significantly enhance the functionality  Bring the site up to date with current web technologies  Add user accounts  Provide data for integration into other websites  Integrate data from other websites  Supported, updated, developed by the community New Website Philosophy
  • 7.  Representational State Transfer (REST)  URL written with an indication of the content returned  The response to requested the REST URL contains a snapshot of data as it currently stands (always true)  REST style URLs typical do not have GET variables appended to the end  Application Programming Interface  http://chalk.coas.unf.edu/fad/citations/view/[id]/[format]  http://chalk.coas.unf.edu/fad/citations/view/7112/XML REST Website and API
  • 8.  Providing computer interpretable meanings to concepts  Uses the Resource Description Framework (RDF) Semantic Annotation Means? <?xml version="1.0"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:fao="https://chalk.coas.unf.edu/fad/files/ontology/fao.owl <rdf:Description rdf:about="https://www.fia.unf.edu/ANCH1994V0066P00660"> <rdfs:label>ANCH1994V0066P00660</rdfs:label> <fao:Interference/> <fao:Reverse/> <fao:Sensitivity/> <fao:Dispersion/> </rdf:Description> </rdf:RDF>
  • 9.
  • 10.
  • 13.  Use the existing keywords that characterize the citations  Categorize (group) the keywords into different types  Create an ontology document in the Web Ontology Language (OWL)  Add ontological term entries to the ontology file using Protégé  Add definitions of terms in the ontology (ongoing)  Each term has a unique entity definition  Make the ontology available online and users can reference the ontological terms in their work The Flow Analysis Ontology
  • 15.  User account  Personal citation database (in development)  “My Publications”  Primary Author metadata  User preferences  ORCID Integration (in development)  Language Support (in development) User Capabilities
  • 16.  CakePHP 2.7 PHP Framework (http://cakephp.org)  Apache 2.4 webserver (http://httpd.apache.org)  PHP 5.6 (http://www.php.org)  MySQL 5.5 (http://www.mysql.com)  jQuery (JavaScript) (http://jquery.com)  Jsmol (http://jmol.org)  Bootstrap CSS (http://getbootstrap)  eXtensible Markup Language (http://www.w3.org/TR/xml/)  JavaScript Object Notation (JSON) (http://json.org)  JSON for Linked Data (JSON-LD) (http://www.w3.org/TR/json-ld/) Technologies
  • 17. Live Demo Alpha Version Development Site @ https://chalk.coas.unf.edu/fad/
  • 18.  Phase I  Beta version of new website by April 2016  Phase II  Add citations from 2007-present  Metadata and abstracts  User annotation of these new articles  Integration of CrossRef for improvement of metadata  Fedora-Commons integration  Text extraction training and optimization  Phase III  Text extraction from all PDFs  Text cleanup based on training set  Full-text search implementation Future Plans
  • 19. Take Home  The new version of the FAD website:  Builds capabilities based on the existing citation metadata  Encourages community involvement  Brings flow injection methodologies to the semantic web  Integrates with external websites
  • 20.  schalk@unf.edu  Phone: 904-620-1938  Skype: stuartchalk  Twitter: @StuChalk  LinkedIn/Slidehare: https://www.linkedin.com/in/stuchalk  ORCID: http://orcid.org/0000-0002-0703-7776  ResearcherID: http://www.researcherid.com/rid/D-8577-2013 Questions?