biostudies-literatureDeacon BNUniversity of South AustraliaBiotechnology and Biological Sciences Research Council1979-1990https://www.ebi.ac.uk/biostudies/studies/S-EPMC11530481biostudies-literatureUnknown41(10)<h4>Purpose</h4>Volatiles are common in personal care products and dermatological drugs. Determining the impact of evaporation of volatiles on skin permeation is crucial to evaluate and understand their delivery, bioavailability, efficacy and safety. We aim to develop an in-silico model to simulate the impact of evaporation on the dermal absorption of volatiles.<h4>Method</h4>The evaporation of volatile permeants was modelled using vapour pressure as the main factor. This model considers evaporation as a passive diffusion process driven by the concentration gradient between the air-vehicle interface and the ambient environment. The evaporation model was then integrated with a previously published physiologically based pharmacokinetic (PBPK) model of skin permeation and compared with publisPharmaceutical researchComputational Modelling of the Impact of Evaporation on In-Vitro Dermal Absorption.PMC11530481BB/S50709X/1Lian GDeacon BNEvans MSilva SChen TfalseComputational Modelling of the Impact of Evaporation on In-Vitro Dermal Absorption.<h4>Purpose</h4>Volatiles are common in personal care products and dermatological drugs. Determining the impact of evaporation of volatiles on skin permeation is crucial to evaluate and understand their delivery, bioavailability, efficacy and safety. We aim to develop an in-silico model to simulate the impact of evaporation on the dermal absorption of volatiles.<h4>Method</h4>The evaporation of volatile permeants was modelled using vapour pressure as the main factor. This model considers evaporation as a passive diffusion process driven by the concentration gradient between the air-vehicle interface and the ambient environment. The evaporation model was then integrated with a previously published physiologically based pharmacokinetic (PBPK) model of skin permeation and compared with publis2024-01-01T00:00:00Z2024 Oct2025-04-19T18:14:46.161Z2025-04-19T18:14:46.161ZS-EPMC115304813937524210.1007/s11095-024-03779-y