Terahertz Waves Modulate Serum Protein Adsorption on Graphene Oxide by Reshaping Interfacial Hydration and Protein Dynamics

The ability to precisely control the interactions between nanoparticles and biomolecules is crucial for advancing their biomedical applications, yet existing strategies often lack dynamic responsiveness. Herein, we demonstrate that terahertz (THz) waves can serve as a novel, noninvasive tool to actively modulate the adsorption of proteins onto graphene oxide (GO). Through all-atom molecular dynamics simulations, we investigate the effects of THz waves at two characteristic frequencies (19.2 THz and 35.5 THz) on the adsorption of human serum albumin (HSA) and apolipoprotein E (ApoE). Our results reveal a frequency-dependent regulatory effect. Irradiation at 19.2 THz significantly enhances the adsorption of both HSA and ApoE onto GO. This enhancement is primarily attributed to the resonance with the hydrogen-bonding network of hydration water, which disrupts the hydration shell surrounding the proteins and weakens their shielding effect. In contrast, a 35.5 THz wave, which resonates with the hydroxyl groups on GO, exerts distinct effects on the two proteins: it enhances ApoE adsorption by increasing the hydrophobicity of GO, while it leaves HSA adsorption unchanged. This differential effect is attributed to a concomitant increase in the structural rigidity of HSA upon irradiation, counteracting the enhanced adsorption drive. Overall, this study establishes THz waves as a potent physical stimulus for dynamically tuning bionano interactions, which provide a foundation for developing innovative strategies in biosensing, drug delivery, and precision medicine.