Chemical reactions in the epithelial lining fluid (ELF) of the human respiratory tract result in the formation of reactive oxygen species (ROS), which can lead to oxidative stress and adverse health effects. Measurements of ROS production and antioxidant depletion in acellular assays are widely used to assess the oxidative potential (OP) of PM.
Here, we provide a chemical kinetic model of oxidative potential (KM-OP) to elucidate and quantify the effects of PM on the production of ROS and the consumption of ascorbic acid (AA) and dithiothreitol (DTT). The chemical mechanism of the model is based on literature rate coefficients and a large compilation of laboratory data on the effects of transition metal ions, quinones, and organic aerosol (OA). KM-OP simulates the experimental protocol described by Calas et al. (2018) for conducting OP assays.
Note to Users: if you use results from the KM-OP model, please cite the publications listed below and this website giving the URL https://www.multiphasekinetics.org/kmop.
The model available on this site is KM-OP as published in Mishra et al. (2026), and is offered here with a selected set of model input parameters and with OPAA and OPDTT as available outputs. Please contact us in case of questions or ideas for collaboration.
Mishra, A., Lelieveld, S., Krüger, M., Campbell, S. J., Srivastava, D., Lanzafame, G. M., Tomaz, S., Favez, O., Bonnaire, N., Lucarelli, F., Alleman, L. Y., Uzu, G., Jaffrezo, J.-L., Chen, G. I., Green, D. C., Priestman, M., Tremper, A. H., Barth, A., Kalberer, M., Bandowe, B. A. M., Lammel, G., Pöschl, U., Shahpoury, P., Albinet, A., and Berkemeier, T.: Aerosol oxidative potential and reactive species predicted with a chemical kinetics model (KM-OP), Atmos. Chem. Phys. 26, 10605–10627, (2026).