Pink, DL;
Foglia, F;
Barlow, DJ;
Lawrence, MJ;
Lorenz, CD;
(2021)
The Impact of Lipid Digestion on the Dynamic and Structural Properties of Micelles.
SMALL
, 17
(6)
, Article 2004761. 10.1002/smll.202004761.
Preview |
Text
smll.202004761.pdf - Published Version Download (934kB) | Preview |
Abstract
Self‐assembled, lipid‐based micelles, such as those formed by the short‐chain phosphocholine, dihexanoylphosphatidylcholine (2C6PC), are degraded by the pancreatic enzyme, phospholipase A2 (PLA2). Degradation yields 1‐hexanoyl‐lysophosphocholine (C6LYSO) and hexanoic acid (C6FA) products. However, little is known about the behavior of these products during and after the degradation of 2C6PC. In this work, a combination of static and time‐resolved small angle neutron scattering, as well as all‐atom molecular dynamics simulations, is used to characterize the structure of 2C6PC micelles. In doing so a detailed understanding of the substrate and product aggregation behavior before, during and after degradation is gained. Consequently, the formation of mixed micelles containing 2C6PC, C6LYSO and C6FA is shown at every stage of the degradation process, as well as the formation of mixed C6LYSO/C6FA micelles after degradation is complete. The use of atomistic molecular dynamics has allowed us to characterize the structure of 2C6PC, 2C6PC/C6LYSO/C6FA, and C6LYSO/C6FA micelles throughout the degradation process, showing the localization of the different molecular species within the aggregates. In addition, the hydration of the 2C6PC, C6LYSO, and C6FA species both during micellization and as monomers in aqueous solution is documented to reveal the processes driving their micellization.
| Type: | Article |
|---|---|
| Title: | The Impact of Lipid Digestion on the Dynamic and Structural Properties of Micelles |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1002/smll.202004761 |
| Publisher version: | https://doi.org/10.1002/smll.202004761 |
| Language: | English |
| Additional information: | © 2021 The Authors. Small published by Wiley‐VCH GmbH This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
| Keywords: | drug delivery vehicles; lipid digestion; lipid micelles; molecular dynamics simulations; phosphocholine lipids; small‐angle neutron scattering |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10123179 |
Archive Staff Only
 |
View Item |
