Molecular dynamics study of urea adsorption on nitrogen and phosphorus doped carbon nanotubes for artificial kidney devices.

ABSTRACT: Patients with end-stage renal disease (ESRD) have limited treatment options, primarily dialysis and kidney transplantation. While dialysis effectively removes urea, it remains costly and inconvenient, whereas transplantation is feasible for only a small subset of patients. These challenges underscore the urgent need for innovative blood purification technologies. Wearable artificial kidney (WAK) devices represent a significant advancement, yet efficient urea adsorption remains a critical challenge for their functionality and compact design. In this study, molecular dynamics (MD) simulations were conducted to investigate urea adsorption on nitrogen-doped (N-doped) and phosphorus-doped (P-doped) carbon nanotubes (CNTs). Key analyses-including energy evaluation, radius of gyration ([Formula:

SUBMITTER: Karimi K 

PROVIDER: S-EPMC12540704 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature