Scavenging sunblock agents from aquatic environment through encapsulation in cucurbit[7]uril

Abstract Here, the encapsulation behavior of Cucurbit[7]uril (CB[7]) is studied for six organic UV filters, i.e., benzophenone, homosalate, oxybenzone, dioxybenzone, sulisobenzone, and para aminobenzoic acid (PABA) using density functional theory (DFT). The thermodynamic stability of the designed sy...

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Bibliographic Details

Published in:	Scientific Reports
Main Authors:	Faizan Ullah, Maria Maqbool, Nadeem S. Sheikh, Imene Bayach, Khurshid Ayub
Format:	Article
Language:	English
Published:	Nature Portfolio 2025-08-01
Subjects:	Host-guest complexes Water pollution Organic UV filters Cucurbit[7]uril QTAIM analysis
Online Access:	https://doi.org/10.1038/s41598-025-10388-1