title: Biological Membranes in Extreme Conditions: Simulations of Anionic Archaeal Tetraether Lipid Membranes.
abstract: In contrast to the majority of organisms that have cells bound by di-ester phospholipids, archaeal membranes consist of di- and tetraether phospholipids. Originating from organisms that withstand harsh conditions (e.g., low pH and a wide range of temperatures) such membranes have physical properties that make them attractive materials for biological research and biotechnological applications. We developed force-field parameters based on the widely used Generalized Amber Force Field (GAFF) to enable the study of anionic tetraether membranes of the model archaean Sulfolobus acidocaldarius by computer simulations. The simulations reveal that the physical properties of these unique membranes depend on the number of cyclopentane rings included in each lipid unit, and on the size of cations that are used to ensure charge neutrality. This suggests that the biophysical properties of Sulfolobus acidocaldarius cells depend not only on the compositions of their membranes but also on the media in which they grow.
authors.affiliation: Computational Chemistry and Biochemistry research Group (CCBG), Department of Chemistry and Biomedical Sciences, Linnæus University, 391 82 Kalmar, Sweden.|Centre of Excellence "Biomaterials Chemistry", Linnæus University, 391 82 Kalmar, Sweden.
authors.forename: Luis Felipe
authors.initials: LF
authors.lastname: Pineda De Castro
authors.affiliation: Systems Biology of Microorganisms Research Group (SBMR), Centre for Ecology and Evolution in Microbial model Systems (EEMiS), Linnæus University, 391 82 Kalmar, Sweden.
authors.forename: Mark
authors.initials: M
authors.lastname: Dopson
authors.affiliation: Computational Chemistry and Biochemistry research Group (CCBG), Department of Chemistry and Biomedical Sciences, Linnæus University, 391 82 Kalmar, Sweden.|Centre of Excellence "Biomaterials Chemistry", Linnæus University, 391 82 Kalmar, Sweden.
authors.forename: Ran
authors.identifier: 0000-0001-8696-3104
authors.initials: R
authors.lastname: Friedman
mesh_terms: D000222:Adaptation, Physiological; D000838:Anions; D002462:Cell Membrane / Q000737:chemistry* / Q000648:ultrastructure; D003470:Culture Media / Q000737:chemistry; D003517:Cyclopentanes / Q000737:chemistry; D000071251:Extreme Environments; D008563:Membrane Lipids / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D010743:Phospholipids / Q000737:chemistry*; D055672:Static Electricity; D016945:Sulfolobus acidocaldarius / Q000737:chemistry* / Q000502:physiology; D013816:Thermodynamics
chemical_list: D000838:Anions; D003470:Culture Media; D003517:Cyclopentanes; D008563:Membrane Lipids; D010743:Phospholipids