2014
DOI: 10.1021/es502718k
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Model for Screening-Level Assessment of Near-Field Human Exposure to Neutral Organic Chemicals Released Indoors

Abstract: Screening organic chemicals for hazard and risk to human health requires near-field human exposure models that can be readily parametrized with available data. The integration of a model of human exposure, uptake, and bioaccumulation into an indoor mass balance model provides a quantitative framework linking emissions in indoor environments with human intake rates (iRs), intake fractions (iFs) and steady-state concentrations in humans (C) through consideration of dermal permeation, inhalation, and nondietary i… Show more

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Cited by 59 publications
(96 citation statements)
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References 51 publications
(103 reference statements)
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“…Cotton was modeled with the methyl‐capped dimeric repeat unit of cellulose with the combinatorial term “on” as this is an oligomeric liquid model. Computations of fully solvated minimum‐energy configurations and screening charge densities were performed for all molecules and the cellulose model in the “infinite dielectric” COSMO solvation environment, using the TURBOMOLE program within the COSMOtherm suite. The TZVPD basis set was used, with the “fine” cavity construction.…”
Section: Experimental Methodsmentioning
confidence: 99%
“…Cotton was modeled with the methyl‐capped dimeric repeat unit of cellulose with the combinatorial term “on” as this is an oligomeric liquid model. Computations of fully solvated minimum‐energy configurations and screening charge densities were performed for all molecules and the cellulose model in the “infinite dielectric” COSMO solvation environment, using the TURBOMOLE program within the COSMOtherm suite. The TZVPD basis set was used, with the “fine” cavity construction.…”
Section: Experimental Methodsmentioning
confidence: 99%
“…Zhang et al. () brings attention to the fact that variability in k dep to surfaces with varying orientations (e.g., horizontal vs. vertical surfaces) can influence indoor PM 2.5 concentrations and iF in→in . That study provides vertical‐ and horizontal‐surface deposition rates for particles in two broad PM 2.5 size classes.…”
Section: Methodsmentioning
confidence: 99%
“…In addition, model simulation and chamber studies on specific SVOCs have shown that enhanced particle mass loading could facilitate partitioning of gaseous SVOCs in airborne particles, thus altering the SVOC distribution and exposure . Until now, however, no studies have documented the influence of temperature and particle mass loading on the indoor air SVOC concentrations in real indoor environments under normal occupancy, thus restricting efforts to validate models for indoor environmental emissions, fates, and gas/particle distributions of SVOCs and associated human exposures …”
Section: Introductionmentioning
confidence: 99%