Release of nitric oxide from donors with known half-life: a mathematical model for calculating nitric oxide concentrations in aerobic solutions

Abstract

The NO concentrations released from donor compounds are difficult to predict as they are determined by formation and inactivation reactions. To calculate the concentrations of NO over time, we have developed a mathematical model which is based on a system of two differential equations describing the first order decomposition of the NO donor in association with the third order reaction of NO with oxygen. Although there is no closed formula for the solution, it can be easily computed by any standard numerical differential solver or simulation software with the following input parameters: initial concentration and decomposition rate constant of the NO donor, O₂ concentration, and rate constant for NO autoxidation. The model was validated by monitoring NO release from 2,2-diethyl-1-nitroso-oxyhydrazine (DEA/NO) with a Clark-type NO-sensitive electrode at two different temperatures (25 and 37°C) and DEA/NO concentrations ranging from 1 to 10μM. Under all conditions, there was an excellent agreement between experimental and calculated data. In addition to the computer modeling, we present graphical plots which allow a rough but very easy estimation of the actual NO concentrations if appropriate computer software should not be available.