Adsorption of Diclofenac and PFBS on a Hair Keratin Dimer

The research investigated the potential of human hair keratins as a filtration material for water contaminated with perfluorobutanesulfonate (PFBS) and diclofenac (DIC), two environmentally damaging substances. Using computational methods, the study found that both DIC and PFBS showed a higher affinity at the HEAD and TAIL segments of the keratin dimer. PFBS interacts mainly through van der Waals contacts, hydrogen bonds, and ionic interaction, while DIC interaction involves hydrophobic interactions. The study suggests that hair keratin could be further studied as a potential adsorption material for water filtration applications.