| 1. |
- Gilbert, Jennifer, et al.
(författare)
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Effect of encapsulated protein on the dynamics of lipid sponge phase: a neutron spin echo and molecular dynamics simulation study
- 2022
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Ingår i: Nanoscale. - : Royal Society of Chemistry (RSC). - 2040-3372 .- 2040-3364. ; In Press
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Tidskriftsartikel (refereegranskat)abstract
- Lipid membranes are highly mobile systems with hierarchical, time and length scale dependent, collective motions including thickness fluctuations, undulations, and topological membrane changes, which play an important role in membrane interactions. In this work we have characterised the effect of encapsulating two industrially important enzymes, β-galactosidase and aspartic protease, in lipid sponge phase nanoparticles on the dynamics of the lipid membrane using neutron spin echo (NSE) spectroscopy and molecular dynamics (MD) simulations. From NSE, reduced membrane dynamics were observed upon enzyme encapsulation, which were dependent on the enzyme concentration and type. By fitting the intermediate scattering functions (ISFs) with a modified Zilman and Granek model including nanoparticle diffusion, an increase in membrane bending rigidity was observed, with a larger effect for β-galactosidase than aspartic protease at the same concentration. MD simulations for the system with and without aspartic protease showed that the lipids relax more slowly in the system with protein due to the replacement of the lipid carbonyl-water hydrogen bonds with lipid-protein hydrogen bonds. This indicates that the most likely cause of the increase in membrane rigidity observed in the NSE measurements was dehydration of the lipid head groups. The dynamics of the protein itself were also studied, which showed a stable secondary structure of protein over the simulation, indicating no unfolding events occurred.
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| 3. |
- Gvaramia, Manuchar, et al.
(författare)
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Neutron spin echo spectroscopy with a moving sample
- 2023
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Ingår i: Scientific Reports. - : Springer Nature. - 2045-2322. ; 13:1
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Tidskriftsartikel (refereegranskat)abstract
- Neutron spin echo spectroscopy is a high resolution inelastic neutron scattering method probing nanosecond dynamics. It is well suited to study the atomistic motion in polymer systems and contributes to our understanding of viscoelasticity. However, for samples under shear, or moving samples in general, Doppler scattering has to be considered. We compare the measured phase shift and depolarisation due to Doppler scattering from a rotating graphite disk to numerical and analytical calculations and find excellent agreement. This allows to take into account Doppler scattering during the data processing and makes longer Fourier times as well as higher shear rates and Q ranges possible with neutron spin echo spectroscopy, enabling for example the study of polymers under high shear.
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