Table 4 Interaction energies (\(\Delta E_{int}\)), reorganization energies for the plastic particle (\(\Delta E_{reorg}^{NP}\)) and tetracycline (\(\Delta E_{reorg}^{TC}\)), sorption energies (\(\Delta E_{ads}\)) and accessible surface area of tetracycline (\(A_{asa}^{TC}\)) for the most stable obtained tetracycline-nanoplastic aggregates. All energies are given in kcal mol\(^{-1}\).
From: The adsorption of drugs on nanoplastics has severe biological impact
Plastic | \(\Delta E_{int}\) | \(\Delta E_{reorg}^{NP}\) | \(\Delta E_{reorg}^{TC}\) | \(\Delta E_{ads}\) | \(A_{asa}^{TC}\) |
|---|---|---|---|---|---|
PE | −23.2 | 8.7 | 10.3 | −4.3 | 530 |
PP | −22.0 | 1.0 | 10.3 | −10.6 | 536 |
PS | −25.2 | 1.6 | 12.0 | −11.6 | 518 |
N66 | −36.0 | 1.9 | 15.0 | −19.1 | 518 |
