Nanopumping of doxorubicin molecules through carbon nanotubes (CNTs) in aqueous environments, under the influence of an external electric field.

This study addresses in detail the process of nanopumping of doxorubicin molecules through carbon nanotubes (CNTs) in aqueous environments, under the influence of an external electric field. Computational simulations were carried out exploring various combinations of tube diameters and electric field values, allowing for a comprehensive analysis of the nanotransport phenomenon. The choice of the aqueous environment in the simulations reflects a fundamental consideration to approximate more physiological and realistic conditions. The universal force field and interatomic Tersoff potentials are incorporated to model the complex interactions between doxorubicin molecules and carbon nanotubes. It is relevant to highlight that the simulations were carried out under normal temperature and pressure conditions, which gives the results a more direct applicability to biological environments. This consideration is crucial to establish the validity and usefulness of the findings in clinical and biomedical contexts. The doxorubicin molecule was selected as an object of study due to its cytotoxic nature and its main application in the treatment of cancer. This approach not only enriches our understanding of nanotransport mechanisms, but also has the potential to positively influence controlled drug release strategies. The results of this research provide valuable insight for the design of more effective and specific therapies.