Influence of Cholesterol and Water Content on Phospholipid Lateral Diffusion in Bilayers

Филиппов, А. В.; Orädd, Greger; Lindblom, Göran

doi:10.1021/la034222x

Cited by 149 publications

(180 citation statements)

References 21 publications

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“…Computed model lipid properties at 300 K are given in Table 2 52 To test whether the original OPLS-AA force field with modified charges can be used to model the copolymers, we simulated dilute solutions of L64 at 280, 300, and 308 K and compared the R g with the corresponding values obtained from the OPLS-AA force field developed by Smith et al 25−27 as well as from experiments (cf. Table 3).…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Understanding the Interaction of Pluronics L61 and L64 with a DOPC Lipid Bilayer: An Atomistic Molecular Dynamics Study

et al. 2016

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ABSTRACT:We investigate the interactions of Pluronics L61 and L64 with a dioleylphosphatidylcholine (DOPC) lipid bilayer by atomistic molecular dynamics simulations using the all-atom OPLS force field. Our results show that the initial configuration of the polymer with respect to the bilayer determines its final conformation within the bilayer. When the polymer is initially placed at the lipid/water interface, we observe partial insertion of the polymer in a U-shaped conformation. On the other hand, when the polymer is centered at the bilayer, it stabilizes to a transmembrane state, which facilitates water transport across the bilayer. We show that membrane thickness decreases while its fluidity increases in the presence of Pluronics. When the polymer concentration inside the bilayer is high, pore formation is initiated with L64. Our results show good agreement with existing experimental data and reveal that the hydrophilic/lipophilic balance of the polymer plays a critical role in the interaction mechanisms as well as in the dynamics of Pluronics with and within the bilayer.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Understanding the Interaction of Pluronics L61 and L64 with a DOPC Lipid Bilayer: An Atomistic Molecular Dynamics Study

et al. 2016

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“…We compare the density of water of CG model and real system and obtain the mass of particle as m ¼ 1. [24]. Flip-flop of lipid molecules from one leaflet to another leaflet is very slow.…”

Section: Lipid Bilayer Membrane Without Peptidementioning

confidence: 99%

Cell‐penetrating peptide induces various deformations of lipid bilayer membrane: Inverted micelle, double bilayer, and transmembrane

Kawamoto

Miyakawa

Takasu

et al. 2011

Int J of Quantum Chemistry

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ABSTRACT:We investigated the deformation of lipid bilayer membrane by cell-penetrating peptide using coarse-grained molecular dynamics simulation. The simulations have been performed with different values of two parameters, strength of angle potential of lipid and strength of attractive interaction between peptide and lipid heads. We obtained the phase diagram of deformation of membrane and found that there are four kinds of structures such as surface dent, inverted micelle, double bilayer, and transmembrane. The results suggest that one peptide can make various structures on lipid bilayer membrane.

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“…Since the translational motion of lipids will be affected by the presence of microdomains in the lipid bilayer, it is possible to use the pgf-NMR diffusion method to investigate such domains [6][7][8][20][21][22][23]. The crucial parameters determining the diffusional behaviour is the exchange times, the partitioning coefficients, and the diffusion coefficients for lipid species in the different domains [10].…”

Section: Domains and Rafts In Lipid Bilayersmentioning

confidence: 99%

Pfg NMR studies of lateral diffusion in oriented lipid bilayers

Orädd

Lindblom

2005

Journal of Spectroscopy

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Abstract. The pfg-NMR diffusion technique is proposed to have an appreciable potential for future biophysical investigations in the field of membrane biology. Topics like transport of molecules both across and in the plane of the membrane can be successfully studied, as well as the formation of lipid domains and their intrinsic dynamics can be scrutinized. This short review will introduce the fundamental aspects of orientation dependent NMR interactions and the technique of macroscopically oriented bilayers for eliminating the unwanted effects of those interactions. The pfg-NMR technique will be briefly introduced and finally, some recent results illustrating the potential of the method are presented. Orientation dependent NMR interactionsThe NMR spectrum for a general spin system is determined by the spin Hamiltonian, H, which consists of a number of interaction terms, of which the following four terms are of interest:where H Z is the Zeeman term and the next three terms represent the static interactions. The static interactions have a common scaling term, (1/2)(3 cos 2 θ − 1), which is the second Legendre polynomial, P 2 (θ), where θ is an angle that relates the principle coordinate system of the specific interaction to the main magnetic field (B 0 ) [12]. This will have the following effects on the observed NMR spectrum:-H CSA -The chemical shift anisotropy that represents the effect of induced magnetic fields due to orbital electronic motions, i.e. the chemical shift. Will change the chemical shift of the spectrum with a factor proportional to P 2 (θ). -H Q -The quadrupole interaction between the nuclear quadrupole moment and the surrounding electric field gradient. Will scale the quadrupolar coupling constant observed for nuclei with spin > 1/2 according to P 2 (θ). -H D -The dipolar interaction that represents the magnetic interaction between dipoles. Due to simultaneous coupling to several different dipoles this term will give rise to a linebroadening, which is proportional to P 2 (θ).For cos θ = 1/ √ 3, i.e. θ = 54.7 • , the scaling term (1/2)(3 cos 2 θ − 1) becomes zero and the static interactions "magically" disappear. This condition is generally hard to obtain since θ is distributed randomly in a non-oriented sample so one has to use special techniques in order to remove the static interactions. In the commonly used solid-state NMR technique, where magic angle spinning (MAS) is utilized, the sample is transferred into a rotor that can be spun at very high spinning rates. spinning of the sample causes all the static interactions to be projected onto the spinning axis of the rotor, which is then turned to the magic angle (54.7 • ) with respect to B 0 , thereby removing all the static interactions in the sample [16]. For liquid crystalline bilayers, on the other hand, the fast lateral reorientation and intermolecular rotation about the long axis of the molecules takes the role of the rotor and partially averages the interactions to leave only the part that is parallel to the normal with the bilayer. Thus...

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Influence of Cholesterol and Water Content on Phospholipid Lateral Diffusion in Bilayers

Cited by 149 publications

References 21 publications

Understanding the Interaction of Pluronics L61 and L64 with a DOPC Lipid Bilayer: An Atomistic Molecular Dynamics Study

Understanding the Interaction of Pluronics L61 and L64 with a DOPC Lipid Bilayer: An Atomistic Molecular Dynamics Study

Cell‐penetrating peptide induces various deformations of lipid bilayer membrane: Inverted micelle, double bilayer, and transmembrane

Pfg NMR studies of lateral diffusion in oriented lipid bilayers

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