Interfacial Dynamics in Lipid Membranes: The Effects of Headgroup Structures
| Autor: | Carlos R. Baiz, Mason L. Valentine, Maya K. Waterland, Ron Elber, Arman Fathizadeh |
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| Rok vydání: | 2021 |
| Předmět: |
Phosphatidylethanolamine
Membranes 010304 chemical physics Cell Membrane Lipid Bilayers Phospholipid Biological membrane Molecular Dynamics Simulation 010402 general chemistry 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films chemistry.chemical_compound Molecular dynamics Membrane chemistry Phosphatidylcholine 0103 physical sciences Materials Chemistry Biophysics Phosphatidylcholines lipids (amino acids peptides and proteins) Physical and Theoretical Chemistry Spectroscopy Lipid bilayer |
| Zdroj: | The journal of physical chemistry. B. 125(5) |
| ISSN: | 1520-5207 |
| Popis: | Phospholipid membranes support essential biochemical processes, yet remain difficult to characterize due to their compositional and structural heterogeneity. The two most common phospholipid headgroup structures in biological membranes are phosphatidylcholine (PC) and phosphatidylethanolamine (PE), but interactions between PC and PE lipids remain underexplored. In this study, we apply ultrafast two-dimensional infrared (2D IR) spectroscopy to quantify the headgroup effects on interfacial dynamics in PC/PE lipid mixtures. Experiments are interpreted through molecular dynamics simulations using the molecular dynamics with alchemical step (MDAS) algorithm for enhanced sampling. Experimental results indicate that the PE content decreases H-bond formation at the ester carbonyl positions near the lipid membrane's hydrophobic core as a result of increased packing density. The observed dehydration is linked to faster molecular dynamics within the interfacial region. |
| Databáze: | OpenAIRE |
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