Efficient removal of uranyl ions using PAMAM dendrimer: simulation and experiment

T Maity, A Aggarwal, S Dasgupta, V Velachi… - Langmuir, 2023 - ACS Publications
In this work, using atomistic molecular dynamics (MD) simulations and polymer-assisted
ultrafiltration experiments, we explore the adsorption and removal of uranyl ions from …

Computational study for the electrophilic reactivity prediction of crown ethers

Y Tian, W Chen, C Wang, L Xu, Q Meng, B Tong… - Journal of Molecular …, 2021 - Elsevier
Crown ethers are kinds of macrocyclic compounds with high selectivity to metal cations,
which can be used as ion sensors, ion analytical reagents and ionophores for biological …