Inverse hexagonal phase of poly-unsaturated monogalactolipid: A computer model and analysis
Authors:
- Lukasz Bratek,
- Michal Markiewicz,
- Krzysztof Baczynski,
- Joanna Jalocha-Bratek,
- Marta Pasenkiewicz-Gierula
Abstract
Monogalactosylodiacylglycerol (MGDG) is the main lipid component of thylakoid membranes. In water, MGDG molecules pack preferentially in the hexagonal HII phase, which consists of water-filled lipid cylinders arranged in a hexagonal lattice. The HII phase can also form in the thylakoid membrane where it plays a key role in the photoprotection of the photosynthetic apparatus. In this study an all-atom computer model of the 16-cylinder MGDG HII phase was generated in a 3-ÎĽs molecular dynamics simulation and mathematical tools were developed to analyse its structural properties. The model-predicted values of the basic structural parameters, namely hexagonal spacing, circular and effective radii of the water channel, surface area/MGDG, and order parameters for the MGDG acyl chains, were compared with the experimental data available in the literature to validate the model. A stable computer model of the MGDG HII phase and the tools developed may serve further numerical experiments and investigations into the role of this phase in biological processes.
- Record ID
- CUT4f1917578aa749be8d20854cd6c07cdd
- Publication categories
- ;
- Author
- Journal series
- Journal of Molecular Liquids, ISSN 0167-7322, e-ISSN 1873-3166
- Issue year
- 2019
- Vol
- 290
- Pages
- [1-8]
- Article number
- 111189
- Other elements of collation
- rys.; tab.; wykr.; Bibliografia (na s.) - 7-8; Bibliografia (liczba pozycji) - 40; Oznaczenie streszczenia - Abstr.; Numeracja w czasopiśmie - Vol. 290
- Keywords in English
- water channel, α-linolenoyl chain, molecular dynamics simulation, thylakoid membrane, chain order
- DOI
- DOI:10.1016/j.molliq.2019.111189 Opening in a new tab
- URL
- http://www.sciencedirect.com/science/article/pii/S0167732219311821 Opening in a new tab
- Language
- eng (en) English
- Score (nominal)
- 100
- Additional fields
- Indeksowana w: Web of Science, Scopus
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUT4f1917578aa749be8d20854cd6c07cdd/
- URN
urn:pkr-prod:CUT4f1917578aa749be8d20854cd6c07cdd
* presented citation count is obtained through Internet information analysis, and it is close to the number calculated by the Publish or PerishOpening in a new tab system.