A DFT insight into the potential of cycloparaphenylenes as efficient sensors for detecting Paracetamol.

 0 Người đánh giá. Xếp hạng trung bình 0

Tác giả: Adel Alhowyan, Wael A Mahdi, Ahmad J Obaidullah

Ngôn ngữ: eng

Ký hiệu phân loại: 621.3743 Electrical, magnetic, optical, communications, computer engineering; electronics, lighting

Thông tin xuất bản: England : Scientific reports , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 693542

Paracetamol (PCT) frequently contaminates natural water sources, posing potential risks to both human health and ecosystems. This study presents a computational investigation into the sensing capabilities of methylene-bridged [n]cycloparaphenylene ([n]MCPP, where n= 6, 8, and 10) nanorings for the detection of paracetamol using density functional theory (DFT) calculations. It was found that the stability of PCT@[n]MCPP complexes increases with the size of the [n]MCPP nanorings. The energy gap of the [n]MCPP nanorings is significantly influenced by the presence of the PCT drug, with the most substantial change (-44.79%) observed for the PCT@
Tạo bộ sưu tập với mã QR

THƯ VIỆN - TRƯỜNG ĐẠI HỌC CÔNG NGHỆ TP.HCM

ĐT: (028) 36225755 | Email: tt.thuvien@hutech.edu.vn

Copyright @2024 THƯ VIỆN HUTECH