COVID-19 detection via isobutyric acid biomarker: A DFT computational study on beryllium-doped C60 fullerene

The COVID-19 pandemic has underscored the urgent need for rapid, accurate, and non-invasive diagnostic methods. This study explores the potential of beryllium-doped C₆₀ fullerene as a sensor for detecting COVID-19 via isobutyric acid (ISO-But), a biomarker found in the breath of infected individuals. By employing Density Functional Theory (DFT), we analyze the electronic and structural properties of pristine and metal-doped C60 fullerenes (Beryllium (Be) and Calcium (Ca)), focusing on their interactions with isobutyric acid. Our findings reveal that BeC₅₉, combined with isobutyric acid, displays a colorimetric response within the visible spectrum, indicating its suitability for point-of-care diagnostics. With rapid recovery and strong interaction properties, this sensor design promises to advance non-invasive COVID-19 detection, making it accessible and feasible for real-time applications.