ArticleThe journal of physical chemistry. B2012
Mixing properties of sphingomyelin ceramide bilayers: a simulation study.
Article in The journal of physical chemistry. B, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 30 citations in OpenAlex.
- Interactions between the Nicotinic and Endocannabinoid Receptors at the Plasma Membrane.Membranes · 2022Review
- Molecular Structure of Sphingomyelin in Fluid Phase Bilayers Determined by the Joint Analysis of Small-Angle Neutron and X-ray Scattering Data.The journal of physical chemistry. B · 2020Article
- Theoretical investigations into the intermolecular hydrogen-bonding interactions of N-(hydroxymethyl)acetamide dimers.Journal of molecular modeling · 2018Article
- Anandamide Revisited: How Cholesterol and Ceramides Control Receptor-Dependent and Receptor-Independent Signal Transmission Pathways of a Lipid Neurotransmitter.Biomolecules · 2018Review
- A Coarse-Grained Model of Stratum Corneum Lipids: Free Fatty Acids and Ceramide NS.The journal of physical chemistry. B · 2016Article
- Ceramide-lipid interactions studied by MD simulations and solid-state NMR.Biochimica et biophysica acta · 2014Article
- CHARMM all-atom additive force field for sphingomyelin: elucidation of hydrogen bonding and of positive curvature.Biophysical journal · 2014Article
- Simulation study of the structure and phase behavior of ceramide bilayers and the role of lipid head group chemistry.Journal of chemical theory and computation · 2013Article
- Neutron diffraction studies of oral stratum corneum model lipid membranes.European biophysics journal : EBJ · 2013Article
- Effects of sphingomyelin headgroup size on interactions with ceramide.Biophysical journal · 2013Article
- Insights into sphingolipid miscibility: separate observation of sphingomyelin and ceramide N-acyl chain melting.Biophysical journal · 2012Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
Abstract
Ceramide is the simplest molecule in the class of glycosphingolipids composed of a sphingosine backbone and acyl moiety. It plays significant roles in cell signaling; apoptosis; binding of hormones, toxins, and viruses; and many other biologically important functions. Sphingomyelin, ceramide with a phosphotidylcholine headgroup, is another biologically vital lipid present in the myelin sheath of nerve cell axons. Regions with high concentrations of ceramide can be formed in biological membranes composed of sphingomyelin by enzymatic catalysis with sphingomyelinase. To better understand the biophysical and thermodynamic properties of these molecules and their mixtures, we have preformed NPT molecular dynamics simulations of hydrated 16:0 sphingomyelin bilayers with increasing concentrations of 16:0 ceramide at 323, 332, 340, and 358 K. From analyses of electron densities, hydrogen bonding, NMR order parameters, partial molecular volume, and partial molecular area, we have identified possible structural changes corresponding to liquid ordered and liquid disordered phases. These structural changes are the results of changes in intra- and intermolecular hydrogen bonds between SM and Cer molecules. Our results correspond to DSC experiments for sphingomyelin bilayer concentrations up to 50% Cer. Above 50% concentration, we observe conformational changes in the SM headgroup similar to that of the umbrella model for lipid cholesterol mixtures.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.