Remediation of pharmaceuticals from wastewater via computationally selected molecularly imprinted polymers

Abstract

Pharmaceuticals are vital components of our daily life; however, as micropollutants, they also pose a significant wastewater treatment challenge. Here a computational protocol aids the design of polymers to capture drugs at point sources.

MXene-modified molecularly imprinted polymers as an artificial bio-recognition platform for efficient electrochemical sensing: progress and perspectives

“…47 Moreover, MIPs have also been utilized to remove residues of pharmaceuticals, pesticides, heavy metals, and other toxic substances contained in daily use materials such as personal care products (PCPs), contaminated water, plastics, etc. [48][49][50][51] However, despite many advantages, there are some limitations associated with MIPs that need to be overcome, like limited computational studies for selecting MIP constituents. Since experimental studies are time-consuming, computational studies would prove cost-effective and efficient for selecting monomers and templates.…”