Molecular dynamics of lipid bilayers studied by incoherent quasi-elastic neutron scattering

König, S.; Pfeiffer, Wilhelm; Bayerl, Thomas M.; Richter, Dieter; Sackmann, E.

doi:10.1051/jp2:1992100

Cited by 173 publications

(193 citation statements)

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“…Thus we analyzed the neutron data following the same procedure and applying the same model used for the POPC liquid phase [25]. The incoherent contribution from the phospholipid dynamics, lip (Q, ℏ ), was calculated as the sum of a delta function ( (ℏ )) and a set of Lorentzians [11,30,31]:…”

Section: Resultsmentioning

confidence: 99%

Molecular Dynamics of POPC Phospholipid Bilayers through the Gel to Fluid Phase Transition: An Incoherent Quasi-Elastic Neutron Scattering Study

Wanderlingh¹,

Branca²,

Crupi³

et al. 2017

Journal of Chemistry

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The microscopic dynamics for the gel and liquid-crystalline phase of highly aligned D 2 O-hydrated bilayers of 1-palmitoyl-oleoylsn-glycero-phosphocholine (POPC) were investigated in the temperature range from 248 to 273 K by using incoherent quasielastic neutrons scattering (QENS). We develop a model for describing the molecular motions of the liquid phase occurring in the 0.3 to 350 ps time range. Accordingly, the complex dynamics of hydrogen are described in terms of simple dynamical processes involving different parts of the phospholipid chain. The analysis of the data evidences the existence of three different motions: the fast motion of hydrogen vibrating around the carbon atoms, the intermediate motion of carbon atoms in the acyl chains, and the slower translational motion of the entire phospholipid molecule. The influence of the temperature on these dynamical processes is investigated. In particular, by going from gel to liquid-crystalline phase, we reveal an increase of the segmental motion mainly affecting the terminal part of the acyl chains and a change of the diffusional dynamics from a localized rattling-like motion to a confined diffusion.

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Section: Resultsmentioning

confidence: 99%

Molecular Dynamics of POPC Phospholipid Bilayers through the Gel to Fluid Phase Transition: An Incoherent Quasi-Elastic Neutron Scattering Study

Wanderlingh¹,

Branca²,

Crupi³

et al. 2017

Journal of Chemistry

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“…A number of different experimental techniques like NMR, [1][2][3] time-resolved fluorescence spectroscopy, 4 neutron scattering, [5][6][7][8]11,18 ultrafast spectroscopy, 9 and IR absorption spectroscopy 10 have been used to study hydration water dynamics at the interface between a lipid bilayer membrane and bulk water. Most of these studies have been conducted a) Author to whom correspondence should be addressed.…”

Section: Introductionmentioning

confidence: 99%

Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

Rønnest

Peters

Hansen

et al. 2016

The Journal of Chemical Physics

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Diffusion and spectroscopy of water and lipids in fully hydrated dimyristoylphosphatidylcholine bilayer membranes J. Chem. Phys. 140, 104901 (2014) Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-snglycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid phase with a monovalent counter-ion and in the gel phase with a divalent counter-ion. The diffusion constant of water as a function of its depth in the membrane has been determined from mean-square-displacement calculations. Also, calculated incoherent quasielastic neutron scattering functions have been compared to experimental results and used to determine an average diffusion constant for all water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic potential within phospholipid membranes imply an enormous electric field of 10 8 -10 9 V m −1 , which is likely to have great significance in controlling the conformation of translocating membrane proteins and in the transfer of ions and molecules across the membrane. We have calculated the membrane potential for DMPG bilayers and found ∼1 V (∼2 · 10 8 V m −1 ) when in the fluid phase with a monovalent counter-ion and ∼1.4 V (∼2.8 · 10 8 V m −1 ) when in the gel phase with a divalent counter-ion. The number of water molecules for a fully hydrated DMPG membrane has been estimated to be 9.7 molecules per lipid in the gel phase and 17.5 molecules in the fluid phase, considerably smaller than inferred experimentally for 1,2-dimyristoyl-sn-glycero-3-phosphorylcholine (DMPC) membranes but comparable to the number inferred for 1,2-dilauroyl-sn-glycero-3-phosphoethanolamine (DLPE) membranes. Some of the properties of the DMPG membrane are compared with those of the neutral zwitterionic DMPC bilayer membrane at 303 K and 1 atm, which is the same reduced temperature with respect to the gel-to-fluid transition temperature as 310 K is for the DMPG bilayer membrane. C 2016 AIP Publishing LLC. [http://dx

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“…Here, we report on a high energy-resolution neutron backscattering study to investigate slow motions on nanosecond time scales in highly oriented solid supported phospholipid bilayers of the model system DMPC -d54 (deuterated 1,2-dimyristoylsn-glycero-3-phoshatidylcholine), hydrated with heavy water. The spectrum of fluctuations in biomimetic and biological membranes covers a large range of time and length scales 1,8,9,10,11,12,13,14,15 , ranging from the long wavelength undulation and bending modes of the bilayer with typical relaxation times of nanoseconds and lateral length scales of several hundred lipid molecules to the short wavelength density fluctuations in the picosecond range on nearest neighbor distances of lipid molecules. Local dynamics in lipid bilayers, i.e.…”

Section: Introductionmentioning

confidence: 99%

Molecular motions in lipid bilayers studied by the neutron backscattering technique

et al. 2005

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We report a high energy-resolution neutron backscattering study to investigate slow motions on nanosecond time scales in highly oriented solid supported phospholipid bilayers of the model system DMPC -d54 (deuterated 1,2-dimyristoyl-sn-glycero-3-phoshatidylcholine), hydrated with heavy water. This technique allows to discriminate the onset of mobility at different length scales for the different molecular components, as e.g. the lipid acyl-chains and the hydration water in between the membrane stacks, respectively, and provides a benchmark test regarding the feasibility of neutron backscattering investigations on these sample systems. We discuss freezing of the lipid acyl-chains, as observed by this technique, and observe a second freezing transition which we attribute to the hydration water.

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Molecular dynamics of lipid bilayers studied by incoherent quasi-elastic neutron scattering

Cited by 173 publications

References 0 publications

Molecular Dynamics of POPC Phospholipid Bilayers through the Gel to Fluid Phase Transition: An Incoherent Quasi-Elastic Neutron Scattering Study

Molecular Dynamics of POPC Phospholipid Bilayers through the Gel to Fluid Phase Transition: An Incoherent Quasi-Elastic Neutron Scattering Study

Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

Molecular motions in lipid bilayers studied by the neutron backscattering technique

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