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Aquatic Toxicity Calculation of Mixtures: A Chemical Activity Approach Incorporating a Bioavailability Reduction

Pascal Bicherel1, Paul C Thomas1

  • 1KREATiS, Knowledge & Research in Environment and Toxicology in Silico KREATiS SAS, 23 rue du Creuzatt, 38090 L'Isle d'Abeau, France.

Environmental Science & Technology
|August 2, 2021
PubMed

Keywords:
QSARWAFadditivityaquatic toxicitychemical activity

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Activity is the measure of the effective concentration of the species in solution. It can be expressed as the product of the molar concentration of the species and its activity coefficient. The activity coefficient is a dimensionless quantity and depends on the total ionic strength of the solution.
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Body:Bioavailability is a critical pharmacological concept that measures the extent and rate at which an active drug ingredient or therapeutic moiety enters the systemic circulation, remaining unchanged. It's a pivotal factor in determining a drug's efficacy and safety.The Biopharmaceutics Classification System (BCS) plays an essential role in drug development by categorizing drugs into four classes based on their solubility and permeability. This classification aids in understanding drug...
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Factors Affecting Activity Coefficient01:17

Factors Affecting Activity Coefficient

The extended Debye-Hückel equation indicates that the activity coefficient of an ion in an aqueous solution at 25°C depends on three partially interdependent properties: the ionic strength of the solution, the charge of the ion, and the ion size. 
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