Work

The binding between amino acids and microplastics: a quantum chemistry study into the interactions of model systems and the prospect of extending to larger aggregates

Year: 2026

Type: article

Abstract: We have used computational chemistry to study the interactions between selected amino acid (AA) and oligomeric microplastic (MP) models. The complexation is often characterized by hydrogen bonding, with the binding energies qualitatively correspond with the number of intermolecular hydrogen bonds. Indeed, strong AA–MP binding is quantitatively characterized by sizable non-dispersion contributions. In the binding of a larger real-world complex, hydrogen bonds and cation–aromatic interactions are also prominent. Assessment of low-cost methods shows that r 2 SCAN-D4/ma-def2-TZVPP and g-xTB provide good performance for their respective cost and may be suitable for a larger-scale study of related AA–MP systems.

Source: Chemical Physics Letters

DOI: 10.1016/j.cplett.2026.143007

Authors: Bun Chan, Amir Karton

Institutions: Nagasaki University, University of New England

Language: English

Topic: Microplastics and Plastic Pollution

Subfield: Pollution

Field: Environmental Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,270

Funder: Japan Society for the Promotion of Science