Cavity formation energy drives the accumulation of amphiphiles at the air–water interface
Amphiphilicity is a key property that governs self-assembly, drug delivery and membrane permeability. We introduce a highly efficient approach based on polarisable continuum models to quantify this important property. Our modelling suggests that the accumulation of amphiphiles at the air-water interface is driven by the release of cavity formation energy in water.
Authors
- Nur Afiqah Ahmad (ORCID: https://orcid.org/0009-0004-1409-0446)
- Junming Ho (ORCID: https://orcid.org/0000-0001-9381-924X)
- Bun Chan (ORCID: https://orcid.org/0000-0002-0082-5497)
Institutions
- University of Nagasaki (JP)
- UNSW Sydney (AU)
- Nagasaki University (JP)
Publication Details
- Journal
- Chemical Communications
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5cc04959h
- Primary Topic
- Lipid Membrane Structure and Behavior
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Computational Infrastructure
- University of New South Wales
- RIKEN