Effect of encapsulated protein on the dynamics of lipid sponge phase: a neutron spin echo and molecular dynamics simulation study

Gilbert, Jennifer; Ermilova, Inna; Nagao, Michihiro; Swenson, Jan; Nylander, Tommy

doi:10.1039/d2nr00882c

Cited by 7 publications

(7 citation statements)

References 90 publications

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“…This cubic-cubic phase transition has typically been associated with a decrease in hydration (Mezzenga et al, 2019), indicating that there are protein-lipid head group interactions for both proteins. This has previously been shown for similar systems in which water-lipid head group bonds are replaced by protein-lipid head group bonds, decreasing hydration of the head groups (Gilbert et al, 2019;Gilbert et al, 2022). For both 30% P80 protein series, the sponge phase was retained for both protein concentration ranges measured here with some minor changes in peak position.…”

Section: Characterization Of Bulk Phase Containing Bvpgb12 or Mbsupporting

confidence: 83%

Encapsulation of sugar beet phytoglobin BvPgb 1.2 and myoglobin in a lipid sponge phase system

Gilbert

Christensen

Nylander

et al. 2023

Front. Soft. Matter

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Globins are usually associated with oxygen carriage in vertebrates. However, plants also contain similar heme-containing proteins, called phytoglobins (Pgbs). Unlike conventional hemoglobin, these proteins are often linked to nitric oxide metabolism, energy metabolism and redox maintenance under hypoxic and related abiotic and biotic stress conditions. Class I and II non-symbiotic Pgbs (nsPgbs) have different degrees of heme hexacoordination. This involves direct interaction of the distal histidine in the E-helix with the sixth coordination site of the central iron, resulting in increased stability, in contrast to the oxygen storage linked to pentacoordinated globins, such as myoglobin (Mb). Due to their robustness, nsPgbs have substantial potential for various biomedical applications, particularly for iron supplementation. In this study, a class I nsPgb from sugar beet (Beta vulgaris ssp. vulgaris) was encapsulated in a lipid sponge phase system for potential protein delivery purposes and compared to a similar system of Mb containing nanoparticles. Bulk phases and dispersions were made with two lipid compositions (30/45/25 diglycerol monooleate (DGMO)/Capmul GMO-50/sorbitan monooleate (P80) and 28/42/30 DGMO/GMO-50/P80, where the DGMO/GMO-50 ratio was kept constant at 40/60). In addition, buffer effects on protein loading and particle formation were investigated. High concentrations of BvPgb1.2 (60 mg/mL) showed higher aggregation tendencies than Mb but these appeared to be transient. This property could be coupled to the higher isoelectric point (pI) of the BvPgb1.2 (7.85, compared to 6.8 for Mb), which make it more sensitive to small pH changes. In addition, excess protein/leakage was observed with Mb from the nanoparticles when analysed with size exclusion chromatography. This work highlighted the encapsulation efficiency of these proteins, which might be directly linked to difference in iron coordination and therefore, reactivity and lipid peroxidation. The interactions between the bulk phases and dispersion of the hemeproteins are complex, more research is needed to proper elucidate these relations in more detail, in order to facilitate the encapsulation capacity for heme-containing proteins in similar lipid-based systems.

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Section: Characterization Of Bulk Phase Containing Bvpgb12 or Mbsupporting

confidence: 83%

Encapsulation of sugar beet phytoglobin BvPgb 1.2 and myoglobin in a lipid sponge phase system

Gilbert

Christensen

Nylander

et al. 2023

Front. Soft. Matter

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“…The experimental reflectivity measurements, obtained at two different pH values, offer further insights into the structure of the lipid layer. Note that a more detailed discussion of the presented experimental reflectivity data can be found in a separate study focused on the interaction between nucleic acid and lipid layers with MC3 43 . At 100% D 2 O, which provides the largest contrast between solvent and the hydrocarbon tails, a clear shift of the characteristic minimum to lower q values is observed (Figure S10) and reflects an increase of the bilayer thickness for neutral MC3 compared to cationic MC3.…”

Section: Distribution Of Neutral and Cationic Mc3 In Lipid Bilayersmentioning

confidence: 99%

Structural Insights on Ionizable Dlin-MC3-DMA Lipids in DOPC Layers by Combining Accurate Atomistic Force Fields, Molecular Dynamics Simulations and Neutron Reflectivity

Ibrahim

Gilbert

Heinz

et al. 2023

Preprint

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Ionizable lipids such as the promising Dlin-MC3-DMA (MC3) are essential for the successful design of lipid nanoparticles (LNPs) as drug delivery agents. Combining molecular dynamics simulations with experimental data such as neutron reflectivity experiments and other scattering techniques is essential to provide insights into the internal structure of LNPs, which is not fully understood to date. However, the accuracy of the simulations relies on the choice of force field parameters and high-quality experimental data is indispensable to verify the parametrization. For MC3, different parameterizations in combination with the CHARMM and the Slipids force field have recently emerged. Here, we complement the existing efforts by providing parameters for cationic and neutral MC3 compatible with the AMBER Lipid17 force field. Subsequently, we carefully assess the accuracy of the different force fields by providing a direct comparison to neutron reflectivity experiments of mixed lipid bilayers consisting of MC3 and DOPC at different pH. At low pH (cationic MC3) and at high pH (neutral MC3) the newly developed MC3 parameters in combination with AMBER Lipid17 for DOPC give good agreement with the experiments. Overall, the agreement is slightly better compared to the Park-Im parameters for MC3 in combination with the CHARMM36 force field for DOPC. The Ermilova-Swenson MC3 parameters in combination with the Slipids force field underestimate the bilayer thickness. While the distribution of cationic MC3 is very similar, the different force fields for neutral MC3 reveal distinct differences ranging from strong accumulation in the membrane center (current MC3/AMBER Lipid17 DOPC), over mild accumulation (Park-Im MC3/CHARMM36 DOPC) to surface accumulation (Ermilova-Swenson MC3/Slipids DOPC). These pronounced differences highlight the importance of accurate force field parameters and their experimental validation.

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“…This is even easier for the more flexible sponge (L 3 ) phase. Here the inclusion of enzymes was found to increase the bending rigidity of the lipid bilayer of the sponge phase as determined by neutron spin echo measurements (Gilbert et al, 2022). The size of the water channels in the LLC structure…”

Section: Colloidal Food Materials Containing Bacteriamentioning

confidence: 87%

Delivery of probiotics and enzymes in self-assemblies of lipids and biopolymers based on colloidal principles

Risbo,

Nylander,

Tanaka

2023

Front. Soft Matter

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Food is a complex soft matter, because various components, such as proteins, lipids, and carbohydrates, are self-assembled via non-covalent, colloidal interactions and form hierarchical structures at multiple length scales. Soft matter scientists have shown an increasing interest in understanding the general principles governing the food structure formation. During the last several decades, an increasing number of studies have shown that the maintenance of healthy gastrointestinal tract and its microbiome is essential for human health and wellbeing. The realization of the importance of the gastrointestinal microbiome has led to the development of probiotics, which are defined as living bacteria that confer a health benefit on the host. Probiotic bacteria and enzymes can be delivered to the intestinal system by formulating appropriate carriers and including these into food ingested by humans. Despite this simple statement, it involves many challenges in the field of soft matter science. This review aims to highlight how the key concepts in soft matter science can be used to design, characterize, and evaluate self-assembled formulations of probiotics and enzymes based on lipids and biopolymers. The topics covered in this review includes the emulsification of oil-water mixtures, the self-assembly of lipids and polymers at interfaces, the electrostatics and viscoelasticity of interfaces, and the wetting/adhesion of colloidal particles.

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Effect of encapsulated protein on the dynamics of lipid sponge phase: a neutron spin echo and molecular dynamics simulation study

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...

Cited by 7 publications

References 90 publications

Encapsulation of sugar beet phytoglobin BvPgb 1.2 and myoglobin in a lipid sponge phase system

Encapsulation of sugar beet phytoglobin BvPgb 1.2 and myoglobin in a lipid sponge phase system

Structural Insights on Ionizable Dlin-MC3-DMA Lipids in DOPC Layers by Combining Accurate Atomistic Force Fields, Molecular Dynamics Simulations and Neutron Reflectivity

Delivery of probiotics and enzymes in self-assemblies of lipids and biopolymers based on colloidal principles

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