Lipid dynamics in nanoparticles formed by maleic acid-containing copolymers: EPR spectroscopy and molecular dynamics simulations

Colbasevici, Alexandr; Voskoboynikova, Natalia; Orekhov, Philipp; Bozdaganyan, Marine E.; Karľová, Mária; Sokolova, Olga; Klare, Johann P.; Mulkidjanian, Armen Y.; Шайтан, К. В.; Steinhoff, Heinz‐Jürgen

doi:10.1016/j.bbamem.2020.183207

Cited by 19 publications

(20 citation statements)

References 62 publications

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“…Analysis of the recorded CW EPR spectra is based on simulations using MatLab (R2020b, v. 9.9) in combination with the EasySpin toolbox (v. 6.0.0 dev.26) for EPR spectroscopy [20]. Note that all spectra were simulated with a single component using the model of anisotropic Brownian motion with an axial symmetry and orienting potential (see SI for further information) [21,22].…”

Section: Cw Epr Spectroscopymentioning

confidence: 99%

“…The semi-cone angle confines the wobbling motion of the respective observable segment based on the position of the doxyl-unit along the acyl chain of the lipid. A rigid crystal structure of the membrane would be described by the maximum value of zz = 1, whereas a state of maximum disorder would be characterized by its lowest value of zz = 0 [21]. The closer the doxyl unit is situated towards the headgroup region of the lipid bilayer, the larger the order parameter.…”

Section: Dspcmentioning

confidence: 99%

“…This effect is least pronounced for DIBMALPs (but still of the same magnitude as both SMALPs and SMA-SBLPs), which form larger nanodiscs and, consequently, contain a lower percentage of lipid molecules that are in vicinity to the polymer rim. Moreover, DIBMA displays weaker interactions with the attached spin probe, thus leading to a reduced change in Szz [21].…”

Section: Dspc 5dspcmentioning

confidence: 99%

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Influence of different polymer belts on lipid properties in nanodiscs characterized by CW EPR spectroscopy

Hoffmann

Eisermann

Schöffmann

et al. 2021

Biochimica et Biophysica Acta (BBA) - Biomembranes

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With this study we aim at comparing the well-known lipid membrane model system of liposomes and polymer-encapsulated nanodiscs regarding their lipid properties. Using differential scanning calorimetry (DSC) and continuous wave electron paramagnetic resonance (CW EPR) spectroscopy, we characterize the temperature-dependent lipid behavior within 1,2-dimyristoyl-sn-glycero-3phosphocholine (DMPC) liposomes and nanodiscs made from such liposomes by application of various polymers based on styrene-co-maleic acid (SMA), diisobutylene-alt-maleic acid (DIBMA), and styreneco-maleic amide sulfobetaine (SMA-SB), a new SMA-derived copolymer containing sulfobetaine side chains. By incorporating a spin label doxyl moiety into the lipid bilayer in position 16 or 5 we were able to study the micropolarity as well as rotational restrictions onto the lipids in the apolar bilayer center and the chain region adjacent to the carbonyl groups, respectively. Our results suggest that all polymers broaden the main melting transition of DMPC, change the water accessibility within the lipid bilayer, and exhibit additional constraints onto the lipids. Independent of the used polymer, the rotational mobility of both spin-labeled lipids decreased with DIBMA exerting less restraints probably due to its aliphatic side chains. Our findings imply that the choice of the solubilizing polymer has to be considered an important step to form lipid nanodiscs which should be included into research of lipid membranes and membrane proteins in the future.

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Section: Cw Epr Spectroscopymentioning

confidence: 99%

Section: Dspcmentioning

confidence: 99%

Section: Dspc 5dspcmentioning

confidence: 99%

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Influence of different polymer belts on lipid properties in nanodiscs characterized by CW EPR spectroscopy

Hoffmann

Eisermann

Schöffmann

et al. 2021

Biochimica et Biophysica Acta (BBA) - Biomembranes

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“…The models available range from simple linear polymers such as PEO (Figure 1D), [ 14,30,35–37 ] nylon‐6, [ 38 ] and PS, [ 28,29,39–41 ] over branched and hyperbranched polymers such as (grafted) polyamidoamine (PAMAM) [ 42–48 ] or polyethylenimine (PEI) dendrimers, [ 49–52 ] to conjugated polymers such as poly(3‐hexylthiophene) (P3HT, Figure 1F) [ 53 ] and block copolymers [ 32,54,55 ] such as PEO–PPO [ 32,56 ] or styrene– and diisobutylene–maleic acid copolymers. [ 57,58 ] Moreover, polymers have also been developed within the Dry Martini [ 59 ] version of the force field: examples include PEO, [ 60 ] PAMAM dendrimers, [ 61 ] and charged polysaccharide. [ 62 ] Within the Dry Martini model, water is represented implicitly rather than explicitly by CG particles.…”

Section: Parametrization Strategiesmentioning

confidence: 99%

The Martini Model in Materials Science

2021

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The Martini model, a coarse‐grained force field initially developed with biomolecular simulations in mind, has found an increasing number of applications in the field of soft materials science. The model's underlying building block principle does not pose restrictions on its application beyond biomolecular systems. Here, the main applications to date of the Martini model in materials science are highlighted, and a perspective for the future developments in this field is given, particularly in light of recent developments such as the new version of the model, Martini 3.

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“…The dynamics of lipids in nanodiscs formed by SMA(3:1) and diisobutylene/maleic acid copolymer (DIBMA) copolymers, which differ in their hydrophobic groups, are compared by Steinhoff and coworkers [ 15 ]. The application of electron paramagnetic resonance (EPR) spectroscopy and a set of phosphatidylcholine lipids with nitroxide groups located at the 5th, 12th or 16th carbon atom positions reveal that the lipids are more constrained in the more stable SMALP discs.…”

mentioning

confidence: 99%

Structure and function of proteins in membranes and nanodiscs

Lemieux

Overduin

2021

Biochimica et Biophysica Acta (BBA) - Biomembranes

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The field of membrane structural biology represents a fast-moving field with exciting developments including native nanodiscs that allow preparation of complexes of post-translationally modified proteins bound to biological lipids. This has led to conceptual advances including biological membrane:protein assemblies or “memteins” as the fundamental functional units of biological membranes. Tools including cryo-electron microscopy and X-ray crystallography are maturing such that it is becoming increasingly feasible to solve structures of large, multicomponent complexes, while complementary methods including nuclear magnetic resonance spectroscopy yield unique insights into interactions and dynamics. Challenges remain, including elucidating exactly how lipids and ligands are recognized at atomic resolution and transduce signals across asymmetric bilayers. In this special volume some of the latest thinking and methods are gathered through the analysis of a range of transmembrane targets. Ongoing work on areas including polymer design, protein labelling and microfluidic technologies will ensure continued progress on improving resolution and throughput, providing deeper understanding of this most important group of targets.

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Lipid dynamics in nanoparticles formed by maleic acid-containing copolymers: EPR spectroscopy and molecular dynamics simulations

Cited by 19 publications

References 62 publications

Influence of different polymer belts on lipid properties in nanodiscs characterized by CW EPR spectroscopy

Influence of different polymer belts on lipid properties in nanodiscs characterized by CW EPR spectroscopy

The Martini Model in Materials Science

Structure and function of proteins in membranes and nanodiscs

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