Document Type

Article

Publication Date

4-14-2025

Department

Department of Electrical and Computer Engineering

Abstract

In this work, we present single-entity protein electrochemistry (SEPE) experiments on catalase, along with a theoretical model to simulate its enzymatic activity and predict the experimentally observed current responses. We perform SEPE measurements at various enzyme concentrations and use protein film voltammetry to investigate the origin of the observed electrochemical signals in SEPE. The modeling approach we develop combines finite element simulations in COMSOL Multiphysics with random walk simulations in MATLAB. The enzyme is represented as a partially active sphere, with an arc on the surface corresponding to the enzyme’s diffusion channel leading to the active site. Notably, the model reproduces the experimental data for catalase without invoking fluctuations in enzymatic activity. This modeling approach, which accounts for the active site geometry of the enzyme, can be useful for simulating single-entity protein electrochemistry data for other enzymes.

Publisher's Statement

Copyright © 2025 The Authors. Published by American Chemical Society. Publisher’s version of record: https://doi.org/10.1021/acselectrochem.5c00039

Publication Title

ACS Electrochemistry

Creative Commons License

Creative Commons Attribution 4.0 International License
This work is licensed under a Creative Commons Attribution 4.0 International License.

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