overview of epa css intramural research on life cycle and

Office of Research and DevelopmentChemical Safety for Sustainability

Overview of EPA CSS Intramural Research on

Life Cycle and Human Exposure Modeling (LC-HEM)

Kent Thomas, U.S. EPA/ORD National Exposure Research Laboratory

NSMDS and NCCLC Grantees Meeting

June 23 -24, 2014,


Project Leads

National Risk

Management Research

Laboratory

National Exposure

Research Laboratory

Life Cycle AssessmentHuman Exposure and

Dose Modeling

Kent Thomas

Jane Bare

Jane Bare

David Meyer

Wes Ingwersen

Michael Gonzalez

Ray Smith

Gerardo Ruiz-Mercado

Paul Randall

Kent Thomas

Halûk Özkaynak

Jianping Xue

Craig Barber

Dan Vallero

Peter Egeghy

Cecelia Tan

Jon Sobus

Key Project Planning Team Members

1


Sustainability Research Drivers

U.S. EPA Sustainability Research Strategy 2007

Long-Term Chemical and Biological Impacts

Improving our use of materials, shifting to environmentally preferable

materials, and protecting human health all rely on assessing and

eliminating the long-term impacts posed by harmful chemical and

biological materials.

NRC Report: Sustainability and the EPA (the Green Book) 2011

How can the EPA decision-making process rooted in the

environmental risk assessment/risk management paradigm be

integrated into this new sustainability framework?

2


Program Research Drivers

3

Information and tools are needed by Agency Programs/Regions

and States for more rapid evaluation of chemical safety across

the life cycles of chemicals and products

• For OCSPP: chemical screening/prioritization, support

chemical decision-making, and alternatives assessment

• For OSWER: support the Sustainable Materials

Management Program that promotes life cycle perspective

• For Regions and States: support for alternatives

assessment and green chemistry initiatives


Research Objectives

Develop a framework and database structure that brings

together life cycle and chemical exposure modeling for more

rapid assessments

Develop a user-friendly tool for evaluating chemical/product

impacts in a life cycle assessment framework to support

decision-making through improved risk and sustainability

analysis

In partnership with Program/Region partners, develop and

implement high priority/high interest case studies for

demonstration and evaluation of the framework and tool

4


5

Success Will Include

Improved human exposure modeling in life cycle

assessments

Modeling and assessment for chemicals/products with less

extensive data

More rapid and higher throughput assessments

Life Cycle-Human Exposure Modeling (LC-HEM) tool usable

by Offices/Regions and by external stakeholders


Life Cycle Human Health (LCHH) Assessment

Chemical of Concern

Inherent Chemical Function

Key Product

i = Raw Materials, Manufacturing ,

Use, Disposal/Recycle

Life Cycle Inventory

Life Cycle Stage i

Release(s)Fate and

Transport Path j

j = 1 to N for multiple potential

media and pathways

Sub-Population

k

Exposure

k = 1 to N for multiple potential sub-populations

Dose

EffectHuman Health

Impact m

m = 1 to N for sub-population

impact

∑ HHIm

Possible aggregation of human health impact

based on decision needs

Client

LCHH Project

CSS

Output

Data Source

6


ACTOR

Chemical Life Cycle Database

(RDF structure)

LCA Ontology

Exposure Ontology

Fate & Transport Ontology

Toxicology Ontology

CompTox

openLCA

Life Cycle Tool for Chemical Assessment

Life Cycle Risk and Non-Risk Related Results

EPI-Suite

QikProp

Life cycle inventory and exposure, tox

SHEDS-LC

ConProdChem db

Chemical LCI

Potential emissions by life cycle stagew/associated properties

Human Activity

Data

SHEDS Fugacity

Micro-environment

Data

TRACI

Exposure Scenario

Development

Other Fate and Transport Models Direct/Indirect

Exposure and Dose Equations by Pathway

Product Use

Patterns

Census Data

Exposure Factors

Exposure andDose VariabilityAnd Uncertainty

Predictions

Resource Description Framework

7


Proposed Research

Implementation

8

Task 1 – LC-HEM Conceptual Framework Development

Task 2 – Case Study for Demonstration and Evaluation

Task 3 – Resource Description Framework Development

Task 4 – SHEDS-Life Cycle Development & Evaluation

Task 5 – Rapid Estimation of Life Cycle Inventory

Task 6 – Development of Beta LC-HEM Tool

Task 7 – Case Studies for Demonstration and Evaluation

FY15

FY18


Case Studies

for Demonstration and Evaluation

Program Relevancy

High Priority for Program

Partner

Active CSS Research in

Other Projects

LCA Considerations

Well defined LC stages

Secondary data for LCI

construction (emissions,

products, processes) and

spatial distribution

HEM Considerations

Chemical appears in multiple LC

stages

Known exposure pathways and

dose information

Available data for modeling and

evaluation

Chemical/Product

Selection Examples

Flame Retardants – building or

consumer products

EDCs – consumer products

Pesticides – consumer products

Engineered nanomaterial (out year

study)

Case Study

Selection

Criteria

Initial Case Study – Develop/Assess Framework (FY16)

Two Case Studies – Implement/Assess beta-LC-HEM Tool (FY17 – FY18)

9


Stochastic Human Exposure and Dose

Simulation Model (SHEDS)

10

Output

0.01

0.1

1

10

100

1000

10000

0 20 40 60 80 100

Percentile

Do

se

• Population Exposure

• Population Dose

0.01

0.1

1

10

100

0 20 40 60 80 100

Percentile

Ex

po

su

re

Algorithms

• Calculate Individual

Exposure/Dose Profile

to t1TIME

EXP.orDOSE

Ingestion

to t1TIME

EXP.orDOSE

Dermalto t1TIME

EXP.orDOSE

Inhalation

Input Databases

Exposure Factor Distributions

• Human Activity• Ambient Conc.• Food Residues• Recipe/Food Diary

0

20

40

60

80

100

1.0E-07 1.0E-06 1.0E-05 1.0E-04 1.0E-03 1.0E-02

Pe

rce

nti

le

Total Dose (mg/kg/day)

Example Distributions of Estimated Doses

5th

50th95th

Annual average daily dose for Arsenic in warm climate f rom public playsets, home playsets, and decks


SHEDS Multimedia v4

11


Computational Models to Rapidly Predict

Exposure (Consumer Product Example)

12

Integrated HT Models• Fate and Transport• Human Behaviors and Exposure Factors• Multiple Scenarios –Extensible/Scalable• Exposures and Doses• Sensitivity and Uncertainty

ChemicalFunctional Use

Chemical Structures

Consumer Product Characterization

Consumer Product Use

Population Characterization

ExposureScenarios/Equations

Composition/Emission Sources

Prevalence, Frequency, Amount

Demographics, Behavior, Physiology

Chemical Properties

SHEDS High Throughput


SHEDS Life Cycle – Consumer Products

13

Chemical/Product Manufacturing (processes, releases) Occupational Exposure Scenarios

SHEDS-HT Probabilistic

Exposure Model

Environmental Fate and Transport

Chemical/Product Disposal

Product Recycling and

Re-Use

• Appropriate Spatial Scales

• Appropriate Temporal Scales

• Model Evaluation

• Uncertainty Assessment


Integration Within

CSS Research Program

CSS Eco Modeling

• LC/HEM tool could/should

include eco modeling/risk

components

CSS Health Indicator

Metrics

• LC/HEM wants to incorporate

appropriate health indicators

CSS Sustainable Chemistry

• Chemical information resources

• Alternatives assessment

Life Cycle/

Human Exposure

Modeling

CSS Rapid Exposure/Dosimetry

• SHEDS-HT

• Product use, fugacity modeling/data

• Dosimetry

Rapid life cycle inventory

methods

CSS Emerging Materials

• Engineered nanomaterials life cycle assessment

• Potential out-year case study

14

CSS AOP Discovery

and Development• ADME module for dose

modeling

• Toxicokinetics


Continuing Discussion Points

Development and integration of health effects indicators

Integration of ecological modeling

Identifying potential collaborations (internal and external)

15

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