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Related Concept Videos

Toxicokinetics: Overview01:21

Toxicokinetics: Overview

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Studies that assess how a drug is absorbed, distributed, metabolized, and excreted (ADME) at toxic doses are termed toxicokinetics. Understanding toxicokinetics helps predict adverse drug reactions (ADRs) and manage toxicity in humans.Toxicokinetics differs from pharmacokinetics mainly in the dose levels studied, with toxicokinetics focusing on higher toxic doses. The kinetics at these levels can be non-linear due to altered physiological processes. Toxicodynamics examines the relationship...
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Non-Oral Extravascular Drug Absorption Routes01:15

Non-Oral Extravascular Drug Absorption Routes

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Non-oral extravascular routes, which encompass sublingual, buccal, topical, intramuscular, and inhalation methods, primarily utilize passive diffusion to transport drugs into the systemic circulation. The absorption rates and effectiveness of these routes depend on the drug's physicochemical properties, as well as the patient's anatomical and pathophysiological state.
Lipophilic drugs that are stable at salivary pH (6) and exhibit minimal binding to the oral mucosa are absorbed more...
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One-Compartment Open Model for Extravascular Administration: First-Order Absorption Model01:15

One-Compartment Open Model for Extravascular Administration: First-Order Absorption Model

756
The first-order absorption model for extravascular administration describes the rate at which a drug is absorbed and eliminated, following the principles of first-order kinetics. This model is vital as it provides a mathematical representation of drug behavior within the body. It also allows for the prediction and interpretation of drug absorption and elimination based on the rate of change in drug concentration over time. This model can be visualized as a plasma concentration-time profile...
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One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation01:24

One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation

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This lesson introduces two critical methods in pharmacokinetics, the Wagner-Nelson and Loo-Riegelman methods, used for estimating the absorption rate constant (ka) for drugs administered via non-intravenous routes. The Wagner-Nelson method relates ka to the plasma concentration derived from the slope of a semilog percent unabsorbed time plot. However, it is limited to drugs with one-compartment kinetics and can be impacted by factors like gastrointestinal motility or enzymatic degradation.
On...
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One-Compartment Open Model for Extravascular Administration: Zero-Order Absorption Model01:12

One-Compartment Open Model for Extravascular Administration: Zero-Order Absorption Model

570
Extravascular administration, such as oral or intramuscular routes, is a non-invasive drug delivery method, often preferred for ease and patient compliance. A key factor here is absorption, which dictates how quickly and effectively the drug enters the bloodstream from the administration site. Absorption follows either zero-order or first-order kinetics.
Zero-order absorption maintains a steady rate irrespective of the amount of drug left to be absorbed, making it a constant process. In the...
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Pharmacokinetic Models: Comparison and Selection Criterion01:26

Pharmacokinetic Models: Comparison and Selection Criterion

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Physiological and compartmental models are valuable tools used in studying biological systems. These models rely on differential equations to maintain mass balance within the system, ensuring an accurate representation of the dynamic processes at play.
Physiological models take a detailed approach by considering specific molecular processes. They can predict drug distribution, metabolism, and elimination changes, providing a comprehensive understanding of how drugs interact with the body.
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Related Experiment Video

Updated: Apr 26, 2026

Diffuse Optical Spectroscopy for the Quantitative Assessment of Acute Ionizing Radiation Induced Skin Toxicity Using a Mouse Model
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Incorporating a dermal absorption route into high throughput toxicokinetic modeling.

Annabel Meade1,2, Celia M Schacht3, Marina V Evans1

  • 1Center for Computational Toxicology and Exposure, United States Environmental Protection Agency, Research Triangle Park, NC, USA.

Journal of Exposure Science & Environmental Epidemiology
|April 24, 2026
PubMed
Summary

A new physiologically-based toxicokinetic (PBTK) dermal exposure model estimates risks from chemical absorption. This model helps assess occupational exposure, suggesting gloves may be needed for certain chemicals.

Keywords:
dermalgeneric modelin vitro-in vivo extrapolationoccupationaltoxicokinetics

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Area of Science:

  • Environmental Science
  • Toxicology
  • Computational Chemistry

Background:

  • Dermal absorption is a key exposure route for pharmaceuticals, occupational, and environmental chemicals.
  • Limited toxicokinetic (TK) data exists for many chemicals, despite available in vitro bioactivity data.
  • In vivo TK data collection is often infeasible, necessitating high-throughput estimation methods.

Purpose of the Study:

  • Develop a generalized physiologically-based toxicokinetic (PBTK) dermal exposure model for in vitro-in vivo extrapolation (IVIVE).
  • Estimate dermal exposures leading to systemic concentrations comparable to in vitro bioactivity.
  • Facilitate rapid risk assessment for chemicals via dermal contact in occupational settings.

Main Methods:

  • Simulated dermal exposures using a PBTK model for 22 scenarios across 12 chemicals with in vivo TK data.
  • Evaluated two skin permeability estimation methods: Potts-Guy and Surrey.
  • Calculated root mean squared log10 errors (RMSLE) to assess model performance.

Main Results:

  • A single optimal dermal permeability prediction method could not be identified due to limited chemical data.
  • In vitro-in vivo extrapolation (IVIVE) was performed for 561 chemicals using both permeability methods.
  • Administered Equivalent Doses (AEDs) were calculated, indicating that many chemicals did not reach achievable concentrations for bioactivity via dermal exposure.

Conclusions:

  • The PBTK model integrates with a database of over a thousand industrial chemicals and pesticides.
  • IVIVE suggests only a small fraction of chemicals with in vitro bioactivity data may lead to bioactive plasma concentrations through dermal exposure.
  • Handling chemicals with potential for dermal bioactivity may require protective gloves.