Potential of pyridine nanobelt in detecting and trapping of harmful UV filters.

ABSTRACT: Sunscreens, a primary defense against ultraviolet (UV) radiation, use UV filters to mitigate the harmful effects of UVA and UVB radiation, including DNA damage, skin aging, and cancer. However, organic UV filters like benzophenones, oxybenzone, sulisobenzone, and PABA are persistent pollutants, posing environmental risks due to their incomplete removal by conventional wastewater treatment. This study investigates the encapsulation of hazardous UV filters inside a stable belt[14]pyridine nanobelt to facilitate their removal through host-guest interactions. The higher values of interaction energies (E_int) of the designed host-guest complexes ranging from - 13.70 to -26.11 kcal/mol, ensure the stability of the complexes. Frontier molecular orbital (FMO) analysis reveal the signific

SUBMITTER: Maqbool M 

PROVIDER: S-EPMC12534430 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature