Carbon Nanotubes’ Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra

Abstract

This study presents the impact of carbon nanotubes (CNTs) on mitochondrial oxygen mass flux (<i>J_m</i>) under three experimental conditions. New experimental results and a new methodology are reported for the first time and they are based on CNT Raman spectra star graph transform (spectral moments) and perturbation theory. The experimental measures of <i>J_m</i> showed that no tested CNT family can inhibit the oxygen consumption profiles of mitochondria. The best model for the prediction of <i>J_m</i> for other CNTs was provided by random forest using eight features, obtaining test R-squared (<i>R</i>²) of 0.863 and test root-mean-square error (RMSE) of 0.0461. The results demonstrate the capability of encoding CNT information into spectral moments of the Raman star graphs (SG) transform with a potential applicability as predictive tools in nanotechnology and material risk assessments.