RISK OF ENGINEERED NANOMATERIALS: DEVELOPMENT OF PREDICTION AND ASSESSMENT TOOLS Jeffery Steevens and Amy Bednar US Army Engineer Research and Development Center Nanoinformatics Conference 8 December 2011
Background: Army Nanotechnologies Significant investment in innovative research for new technologies that use novel or high performance materials (Army S&T Plan, 2010). $450 Million/annually by Department of Defense (NNI) Explosives, propellants, armor, textiles, sensors Stronger / lighter Energetics armor
Nanomaterial Nanotechnology Deployment and Disposal / Raw Materials Production Manufacture Operations Recycling Conceptual Model, Characterization, Risk Analysis Emerging Defense Acquisition Technologies Support • Coatings • RDTE • Energetics • Management • Textiles • Decision • Composites Analysis Do nanomaterials need special consideration because of their size?
Solution.. Proactively assess potential risks from technology; need an 80% solution Current proposed approaches: ► Empirical data ► Bayesian belief network (Lowry, 2010) ► Life cycle approaches (Seager and Linkov, 2009) ► Best professional judgment and Multi Criteria Decision Analysis (Tervonen et al., 2009) ► Comprehensive Environmental Assessment (EPA, Mike Davis) ► WINGS™, Air Force Research Laboratory From Tervonen et al., 2009
Comprehensive Environmental Assessment What is CEA? • Framework and a process • Integration of risk-based approach over the life cycle Features of CEA • Is qualitative and quantitative • Used as a framework for making comparisons • Provides guidance for risk managers for adaptive management, monitoring, tradeoffs • Can be used to identify data gaps and research priorities Adapted from Davis, 2007 Previously used for nano Ti, nano Ag, MTBE
Comprehensive Environmental Assessment Cradle Grave Inception Life Cycle Stages Quantities, Methods, Properties Environmental Conditions Environmental M • pH Environmental Compartments &/or Gateways e Pathways • Salinity a s • Temperature Humans u r • Flow regime e m e n Wastewater Air Natural Soils / Landfills t Treatment Waters Sediments & Concurrent C Fate & Transport Substances h a • NOM r a • Co-contaminants c t like Arsenic e r i z a t i o n Organisms Exposure-Dose Aquatic Terrestrial Single Celled Humans m Animal Animal s Plant Models Plant Models i Models Models n a h c e Effects M Cell Organelles Cell Membrane Organs Systems Whole body Impact 6 CEA Process, From Davis 2010
CEA for Nano Aluminum Energetics Informa(on ¡gathering, ¡review ¡peer-‑reviewed ¡literature, ¡ Interview ¡DoD ¡researchers, ¡site ¡ Work ¡closely ¡with ¡technology ¡developers ¡and ¡manufacturers; ¡ Iden(fy ¡EHS ¡concerns ¡and ¡cri(cal ¡data ¡gaps. ¡ ¡ ¡ Ramping up for potential Use of Al nanoparticles in production of nano-based propellants limited energetics at Holston AAP; releases in WWTP TEM of nano aluminum developed for energetic and propellant; Plasma reactor pilot plant; Courtesy of Chris Haines, ARDEC
What is Fate of NP? Robert McElroy, Army Times Data ¡from ¡Jenkins, ¡2005 ¡ 120 ¡mm ¡tank ¡gun, ¡105, ¡155 ¡mm ¡ Data ¡from ¡ ¡Taylor, ¡2004 ¡ howitzer, ¡ ¡60 ¡mm ¡mortars ¡ DLVO predicts repulsion and subsequent agglomeration in aqueous systems, Chappell 2011 http://demonstrations.wolfram.com/
What are Effects of NP? 80 Daphnia magna Pimephales promelas 60 LC50 (ug/L) 40 20 0 PVP nano Ag in Lumbriculus cross section; nAg (total) nAg (fractionated) Ag+ as AgNO3 nAg (total) nAg (fractionated) Ag+ as AgNO3 Laird; Coleman et al., new data Formation of Competitive Binding metal complexes at Ligand H + POC Na + DOC Biotic Surface Particle CO 32- (cell membrane) Me 2+ Cl - . Ca 2+ . Mg 2+ . Kennedy et al., EST, 2010
Goal: Develop tools to support predictions and decision-making Wide range of new technologies using composites, dispersed NP, coatings…all behave differently. Cannot collect laboratory data on all materials Need: 1. Evaluate potential risks over the life-cycle of a technology → Conceptual Model Developer 2. Fate and toxicity predictions as well as documentation → NanoExPERT
CEA Conceptual Model Developer • User friendly desktop and web interface application that will facilitate the user building the concept model of the life cycle and risk pathways for a material and/or chemical by using a series of questions which will trigger connections. • Output of the model would be a report with graphic and text description outlining the specific constituents and processes of the material CEA.
• Tier 1 Questions – At least 1 Yes/No/Maybe Yes (to trigger connection, “maybe” would be a dotted line) – Key questions at this level – Based on best professional judgment – These set up the pathways – Should take 10 – 15 minutes to answer. • Tier 2 Questions – Specific details – May require additional research or NanoExPERT – Could be imported from another source • Flag when the user doesn’t know to incorporate Value of Information
NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Objective • Internet-accessible predictive model regarding the potential ecological risk posed by nanoparticles based on chemical, physical, or otherwise biological data input from experimentation • Predict environmental fate and effects of proposed formulations that include nanomaterials in order to make sound environmental and safety decisions early in the design process NanoExPERT : Nano materials Ex periment-based P redictor of E nvironmental R isk and T oxicity
NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Home Page/Main Menu https://nanoexpert.army.mil
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NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Login Screen: 3 Levels of Access Public: All individuals will be able to read information and run models and calculations. Researchers: These individuals will have special access where they can submit data to be reviewed and possibly uploaded to the database. To be part of this user group, they will have to be approved by the administrator user. Administrator: These individuals will review the information from the researcher user for validity and will have access to write to the database. Researcher Administrator
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NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Database Lookup
NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Database Lookup
NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Database Lookup
NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Database Lookup
NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Database Lookup
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NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Prediction
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NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Prediction – Hazard Page Predictive potential ecological risk posed by nanoparticles based on chemical, physical, and/or biological data Hierarchical clustering Others Incorporate Value of Information (VoI) Currently Equally Weighted
NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis Prediction – Report
NanoExPERT: Development of Predictive Tools for Nanomaterials Risk Analysis DLVO
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