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Dermal absorption modeling for in-vitro experiments using human skin for fragrance chemicals - approach and challenges
Citation:
Fisher, H., M. Evans, A. Bunge, Dan Vallero, C. Eklund, AND E. Hubal. Dermal absorption modeling for in-vitro experiments using human skin for fragrance chemicals - approach and challenges. Society of Toxicology, San Diego, CA, March 27 - 31, 2022. https://doi.org/10.23645/epacomptox.19401218
Impact/Purpose:
Limited data are available to assess potential chemical risks to humans from manufacture, use, and disposal of consumer products and articles. Tools are needed to access and leverage available data on chemical manufacture, use, and occurrence for important chemical exposure scenarios and pathways across the product lifecycle. Scientific workflows are designed to execute a series of computational or data manipulation steps. The simplest automated scientific workflows are scripts that call in data, models, and other inputs and produce outputs that may include analytical results and visualizations. The value of using this approach is that domain-specific data types and tools can be made available to the exposure scientist and easily accessible to the exposure assessor for specific decision contexts. This product provides regulatory scientists, students and researchers with the ability to effectively access and exploit the many in silico data streams to support different regulatory purposes and supports current Agency efforts to reduce mammal study requests by 30% by 2025, and completely eliminate all mammal study requests and funding by 2035.
Description:
Dermal uptake is an important and complex exposure route for a wide range of chemicals in the residential environment. In this study, a well-mixed model is applied to predict dermal absorption for a set of chemicals used in cosmetic formulations. The model uses mass-transfer coefficients and ordinary differential equations to calculate the concentration of a given chemical over the exposure period in five separate compartments: the vehicle, stratum corneum, viable epidermis, dermis, and blood. Additional calculations were also included to account for evaporation from the vehicle. To evaluate the model assumptions, we compare model predictions for a set of 27 chemicals used in cosmetic formulations to experimental in vitro measurements of penetration into and through human skin. The model was parameterized to simulate important experimental system characteristics including exposure area and receptor fluid transport. In conclusion, a well-mixed dermal absorption model predicted time-course penetration data obtained for a set of chemicals from the same laboratory and was used to find experimental explanations that can be used to refine future models. Abstract does not necessarily reflect EPA policy.
URLs/Downloads:
DOI: Dermal absorption modeling for in-vitro experiments using human skin for fragrance chemicals - approach and challenges
FISHER_SOT_DERMAL FINAL.PDF (PDF, NA pp, 301.462 KB, about PDF)