Nanoinformatics Collaboration, Data Management and Analysis Tools for Nanomaterial Characterization,

Toxicity and Environmental Distribution

Yoram Cohen1,2, Taimur Hassan1, Rong Liu1,2

Approach

1 UC Center for the Environmental Implications of Nanotechnology (UC CEIN), University of California Los Angeles, 6522 CNSI, 570 Westwood Plaza, Los Angeles, CA 90095-7277. 2 Department of Chemical and Biomolecular Engineering, 5531 Boelter Hall, University of California Los Angeles, Los Angeles, California, USA

Web-based data and project management, research collaboration, data mining and tools for nanomaterial hazard ranking, transport and fate, exposure, toxicity and environmental impact analysis

The UC Center for Environmental Implications of Nanotechnology (UC CEIN) at UC Los Angeles (UCLA) is in partnership with UC Santa Barbara (UCSB), UC Davis (UCD), UC Riverside (UCR), Columbia University in New York, the Molecular Foundry at Lawrence Berkeley National Laboratory (LBNL), the Lawrence Livermore National Laboratory (LLNL), Nanyang Technological University in Singapore (NTU), University of New Mexico (UNM), Sandia National Laboratory (SNL), University of Texas in El Paso (UTEP), University of Bremen (Germany), University of British Columbia (UBC), Cardiff University (Wales), University College Dublin (UCD, Ireland), and Universitat Rovira i Virgili in Spain (URV).

Data Management

Programmable and Extensible: • Web Services and Web Parts Support for

third-party and custom web applications via C# and Visual Basic

• Access to useful SharePoint components • Custom applications have been authored for

bulk file management, report generation and password reset

Metadata Enhanced Document Retrieval

• Central storage of CEIN data files • Metadata replaces need for subfolder structures • A context menu allows access to various functions

(e.g., editing/viewing file metadata properties and version controls for check-in and check-out of files)

• Dynamic search report generation

Data Repository

• Search engine that can access metadata • Capable of processing custom crawl rules • Content-based search of repository files

Resource and Communication Management • Metadata enabled • Nanomaterials database • Enhanced file search capability • Workflows for uploading,

reviewing and approving data documents

• Data archiving and retrieval

• Accessible by researchers and administrators

• External nanoparticle resource directory

• Annual and quarterly reports

• Personal online space

• Newsletters • Event, Media and

Calendaring • Help files and videos

Reports and Forms Personal Profiles

Events & Newsletters Online Courses

Web-Based Analysis Tools

NanoCatalog

• Online CEIN nanoparticles library • Web-based checking of

nanomaterials availability and request of samples

Modeling of Nanoparticles Distribution

• Predict concentrations of nanoparticles in various environmental media

• Graphical Interface for parameter input

• “What-if” scenarios analysis

• Real-time visualization of simulation results

• Capability for creation of user scenario library and simulation results

• Rapid analysis and visualization of HTS data • Standardized HTS plate format • Various algorithms for outliers removal, data

normalization and hit identification • Visualization of HTS data analysis in terms of

heatmaps and self organizing maps • CEIN data files are directly accessible and analysis

results stored on remote server

High Throughput Analysis Tool NanoCrawler

• Integrates data files stored within the CEIN data repository with the NanoCatalog (i.e., nanoparticles library)

• Files can be filtered based on multiple criteria • Information specific to data files can be dynamically sorted and reports

generated based on metadata (e.g. particle type, experiment type, experimental conditions, particle properties)

Online quarterly report submission and project

status overviews Personal web space for CEIN members

How-to guides and nanomaterial discussions

Nanotoxicology lectures for distance learning