arXiv subjects

Hiroshi Noguchi

Publications and source records attributed to Hiroshi Noguchi.

At least 55 records · Page 3Linked to original sources

arXiv2018

Polymer effects on Karman Vortex: Molecular Dynamics Study

We investigated the Karman vortex behind a circular cylinder in a polymer solution by a molecular dynamics simulation. The vortex characteristics are distinctly different for short and long polymers. The solution with the long polymer exhibits a reduction in the vortex shedding frequency and broadening of the lift coefficient spectrum. On the other hand, the characteristics of the short-polymer solution are almost same as those of the Newtonian fluid. These facts are consistent with the experiments. Because the distributions of the gyration radius and the orientational order of the long-polymer solution are highly inhomogeneous in the flow field, we conclude that the extensional property of the polymer plays an important role in changing the flow characteristics.

cond-mat.soft↗

arXiv2018

Bilayer sheet protrusions and budding from bilayer membranes induced by hydrolysis and condensation reactions

Shape transformations of flat bilayer membranes and vesicles induced by hydrolysis and condensation reactions of amphiphilic molecules are studied using coarse-grained molecular dynamics simulations. The hydrolysis and condensation reactions result in the formation and dissociation of amphiphilic molecules, respectively. Asymmetric reactions between the inner and outer leaflets of a vesicle can transport amphiphilic molecules between the leaflets. It is found that the resulting area difference between the two leaflets induces bilayer sheet protrusion~(BP) and budding at low reduced volumes of the vesicles, whereas BP only occurs at high reduced volumes. The probabilities of these two types of transformations depend on the shear viscosity of the surrounding fluids compared to the membrane as well as the reaction rates. A higher surrounding fluid viscosity leads to more BP formation. The inhomogeneous spatial distribution of the hydrophobic reaction products forms the nuclei of BP formation, and faster diffusion of the products enhances BP formation. Our results suggest that adjustment of the viscosity is important to control membrane shape transformations in experiments.

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arXiv2017

Acceleration and suppression of banana-shaped-protein-induced tubulation by addition of small membrane inclusions of isotropic spontaneous curvatures

The membrane tubulation induced by banana-shaped protein rods is investigated by using coarse-grained meshless membrane simulations. It is found that the tubulation is promoted by laterally isotropic membrane inclusions that generate the same sign of spontaneous curvature as the adsorbed protein rods. The inclusions are concentrated in the tubules and reduce the bending energy of the tip of the tubules. On the other hand, the inclusions with an opposite curvature suppress the tubulation by percolated-network formation at a high protein-rod density while they induce a spherical membrane bud at a low rod density. When equal amounts of the two types of inclusions (with positive and negative curvatures) are added, their effects cancel each other for the first short period but later the tubulation is slowly accelerated. A positive surface tension suppresses the tubulation. Out results suggest that the cooperation of scaffolding of BAR (Bin/Amphiphysin/Rvs) domains and isotropic membrane inclusions is important for the tubulation.

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arXiv2017

Membrane structure formation induced by two types of banana-shaped proteins

The assembly of banana-shaped rodlike proteins on membranes, and the associated membrane shape transformations, are investigated by analytical theory and coarse-grained simulations. The membrane-mediated interactions between two banana-shaped inclusions are derived theoretically using a point-like formalism based on fixed anisotropic curvatures, both for zero surface tension and for finite surface tension. On a larger scale, the interactions between assemblies of such rodlike inclusions are determined analytically. Meshless membrane simulations are performed in the presence of a large number of inclusions of two types, corresponding to curved rods of opposite curvatures, both for flat membranes and vesicles. Rods of the same type aggregate into linear assemblies perpendicular to the rod axis, leading to membrane tubulation. However, rods of the other type, those of opposite curvature, are attracted to the lateral sides of these assemblies, and stabilize a straight bump structure that prevents tubulation. When the two types of rods have almost opposite curvatures, the bumps attract one another, forming a stripe structure. Positive surface tension is found to stabilize the stripe formation. The simulation results agree well with the theoretical predictions provided the point-like curvatures of the model are scaled-down to account for the effective flexibility of the simulated rods.

cond-mat.soft↗

arXiv2016

Non-uniqueness of local stress of three-body potentials in molecular simulations

Microscopic stress fields are widely used in molecular simulations to understand mechanical behavior. Recently, decomposition methods of multibody forces to central force pairs between the interacting particles have been proposed. Here, we introduce a force center of a three-body potential and propose different force decompositions that also satisfy the conservation of translational and angular momentum. We compare the force decompositions by stress-distribution magnitude and discuss their difference in the stress profile of a bilayer membrane using coarse-grained and atomistic molecular dynamics simulations.

cond-mat.soft↗

arXiv2016

Construction of nuclear envelope shape by a high-genus vesicle with pore-size constraint

Nuclear pores have an approximately uniform distribution in the nuclear envelope of most living cells. Hence, the morphology of the nuclear envelope is a spherical stomatocyte with a high genus. We have investigated the morphology of high-genus vesicles under pore-size constraint using dynamically triangulated membrane simulations. Bending-energy minimization without volume or other constraints produces a circular-cage stomatocyte, where the pores are aligned in a circular line on an oblate bud. As the pore radius is reduced, the circular-pore alignment is more stabilized than a random pore distribution on a spherical bud. However, we have clarified the conditions for the formation of a spherical stomatocyte: a small perinuclear volume, osmotic pressure within nucleoplasm, and repulsion between the pores. When area-difference elasticity is taken into account, the formation of cylindrical or budded tubules from the stomatocyte and discoidal stomatocyte is found.

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arXiv2016

Shape deformation of lipid membranes by banana-shaped protein rods: Comparison with isotropic inclusions and membrane rupture

The assembly of curved protein rods on fluid membranes is studied using implicit-solvent meshless membrane simulations. As the rod curvature increases, the rods on a membrane tube assemble along the azimuthal direction first and subsequently along the longitudinal direction. Here, we show that both transition curvatures decrease with increasing rod stiffness. For comparison, curvature-inducing isotropic inclusions are also simulated. When the isotropic inclusions have the same bending rigidity as the other membrane regions, the inclusions are uniformly distributed on the membrane tubes and vesicles even for large spontaneous curvature of the inclusions. However, the isotropic inclusions with much larger bending rigidity induce shape deformation and are concentrated on the region of a preferred curvature. For high rod density, high rod stiffness, and/or low line tension of the membrane edge, the rod assembly induces vesicle rupture, resulting in the formation of a high-genus vesicle. A gradual change in the curvature suppresses this rupture. Hence, large stress, compared to the edge tension, induced by the rod assembly is the key factor determining rupture. For rod curvature with the opposite sign to the vesicle curvature, membrane rupture induces inversion of the membrane, leading to division into multiple vesicles as well as formation of a high-genus vesicle.

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arXiv2016

Membrane tubule formation by banana-shaped proteins with or without transient network structure

In living cells, membrane morphology is regulated by various proteins. Many membrane reshaping proteins contain a Bin/Amphiphysin/Rvs (BAR) domain, which consists of a banana-shaped rod. The BAR domain bends the biomembrane along the rod axis and the features of this anisotropic bending have recently been studied. Here, we report on the role of the BAR protein rods in inducing membrane tubulation, using large-scale coarse-grained simulations. We reveal that a small spontaneous side curvature perpendicular to the rod can drastically alter the tubulation dynamics at high protein density, whereas no significant difference is obtained at low density. A percolated network is intermediately formed depending on the side curvature. This network suppresses tubule protrusion, leading to the slow formation of fewer tubules. Thus, the side curvature, which is generated by protein--protein and membrane--protein interactions, plays a significant role in tubulation dynamics. We also find that positive surface tensions and the vesicle membrane curvature can stabilize this network structure by suppressing the tubulation.

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arXiv2015

Monte Carlo study of the frame, fluctuation and internal tensions of fluctuating membranes with fixed area

Three types of surface tensions can be defined for lipid membranes: the internal tension, $σ$, conjugated to the real membrane area in the Hamiltonian, the mechanical frame tension, $τ$, conjugated to the projected area, and the "fluctuation tension", $r$, obtained from the fluctuation spectrum of the membrane height. We investigate these surface tensions by means of a Monge gauge lattice Monte Carlo simulation involving the exact, nonlinear, Helfrich Hamiltonian and a measure correction for excess entropy of the Monge gauge. Our results for the relation between $σ$ and $τ$ agrees well with the theoretical prediction of [J.-B. Fournier and C. Barbetta, Phys. Rev. Lett., 2008, 100, 078103] based on a Gaussian approximation. This provides a valuable knowledge of~$τ$ in the standard Gaussian models where the tension is controlled by $σ$. However, contrary to the conjecture in the above paper, we find that $r$ exhibits no significant difference from $τ$ over more than five decades of tension. Our results appear to be valid in the thermodynamic limit and are robust to changing the ensemble in which the membrane area is controlled.

cond-mat.soft↗

arXiv2015

Shape transitions of high-genus fluid vesicles

The morphologies of genus-2 to -8 fluid vesicles are studied by using dynamically triangulated membrane simulations with area-difference elasticity. It is revealed that the alignments of the membrane pores alter the vesicle shapes and the types of shape transitions for the genus $g \ge 3$. At a high reduced volume, a stomatocyte with a circular alignment of $g+1$ pores continuously transforms into a discocyte with a line of $g$ pores with increasing intrinsic area difference. In contrast, at a low volume, a stomatocyte transforms into a ($g+1$)-hedral shape and subsequently exhibits a discrete phase transition to a discocyte.

cond-mat.soft↗

arXiv2015

Formation of polyhedral vesicles and polygonal membrane tubes induced by banana-shaped proteins

The shape transformations of fluid membranes induced by curved protein rods are studied using meshless membrane simulations. The rod assembly at low rod density induces a flat membrane tube and oblate vesicle. It is found that the polyhedral shapes are stabilized at high rod densities. The discrete shape transition between triangular and buckled discoidal tubes is obtained and their curvature energies are analyzed by a simple geometric model. For vesicles, triangular hosohedron and elliptic-disk shapes are formed in equilibrium, whereas tetrahedral and triangular prism shapes are obtained as metastable states.

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arXiv2014

Morphological changes of amphiphilic molecular assemblies induced by chemical reaction

Shape transformations of amphiphilic molecular assemblies induced by chemical reaction are studied using coarse-grained molecular simulations. A binding reaction between hydrophilic and hydrophobic molecules is considered. It is found that the reaction induces transformation of an oil droplet to a tubular vesicle via bicelles and vesicles with discoidal arms. The discoidal arms close into vesicles, which are subsequently fused into the tubular vesicle. Under the chemical reaction, the bicelle-to-vesicle transition occurs at smaller sizes than in the absence of the hydrophobic molecules. It is revealed that the enhancement of this transition is due to embedded hydrophobic particles that reduce the membrane bending rigidity.

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arXiv2014

Shape transformations of toroidal vesicles

Morphologies of genus-1 and 2 toroidal vesicles are studied numerically by dynamically triangulated membrane models and experimentally by confocal laser microscopy. Our simulation results reproduce shape transformations observed in our experiments well. At large reduced volumes of the genus-1 vesicles, obtained vesicle shapes agree with the previous theoretical prediction, in which axisymmetric shapes are assumed: double-necked stomatocyte, discoidal toroid, and circular toroid. However, for small reduced volumes, it is revealed that a non-axisymmetric discoidal toroid and handled discocyte exist in thermal equilibrium in the parameter range, in which the previous theory predicts axisymmetric discoidal shapes. Polygonal toroidal vesicles and subsequent budding transitions are also found. The entropy caused by shape fluctuations slightly modifies the stability of the vesicle shapes.

cond-mat.soft↗

arXiv2014

Two- or three-step assembly of banana-shaped proteins coupled with shape transformation of lipid membranes

BAR superfamily proteins have a banana-shaped domain that causes the local bending of lipid membranes. We study as to how such a local anisotropic curvature induces effective interaction between proteins and changes the global shape of vesicles and membrane tubes using meshless membrane simulations. The proteins are modeled as banana-shaped rods strongly adhered to the membrane. Our study reveals that the rods assemble via two continuous directional phase separations unlike a conventional two-dimensional phase separation. As the rod curvature increases, in the membrane tube the rods assemble along the azimuthal direction and subsequently along the longitudinal direction accompanied by shape transformation of the tube. In the vesicle, in the addition to these two assembly processes, further increase in the rod curvature induces tubular scaffold formation.

cond-mat.soft↗

arXiv2013

Mechanical properties and microdomain separation of fluid membranes with anchored polymers

The entropic effects of anchored polymers on biomembranes are studied using simulations of a meshless membrane model combined with anchored linear polymer chains. The bending rigidity and spontaneous curvature are investigated for anchored ideal and excluded-volume polymer chains. Our results are in good agreement with the previous theoretical predictions. It is found that the polymer reduces the line tension of membrane edges, as well as the interfacial line tension between membrane domains, leading to microdomain formation. Instead of the mixing of two phases as observed in typical binary fluids, densely anchored polymers stabilize small domains. A mean field theory is proposed for the edge line tension reduced by anchored ideal chains, which reproduces our simulation results well.

cond-mat.soft↗

arXiv2013

Confinement-induced shape transitions in multilamellar vesicles

Morphologies of a vesicle confined in a spherical vesicle were explored experimentally by fast confocal laser microscopy and numerically by a dynamically-triangulated membrane model with area-difference elasticity. The confinement was found to induce several novel shapes of the inner vesicles, that had been never observed in unilamellar vesicles: double and quadruple stomatocytes, slit vesicle, and vesicles of two or three compartments with various shapes. The simulations reproduced the experimental results very well and some of the shape transitions can be understood by a simple theoretical model for axisymmetric shapes.

cond-mat.soft↗

arXiv2013

Entropy-driven aggregation in multilamellar membranes

Membrane-fluctuation-induced attraction between ligand--receptor sites binding neighboring membranes is studied using meshless membrane simulations and the Weil--Farago two-dimensional lattice model. For the adhesion sites binding two membranes, this entropic interaction is too weak by itself for the adhesion sites to form a large stable domain. However, it is found that this attraction is enhanced sufficiently to induce large domains either when the sites bind three or more neighboring membranes together or have anchors that harden surrounding membranes. The latter effect is understood by the Asakura--Oosawa type of effective potential in the depletion theory.

cond-mat.soft↗

arXiv2013

Structure formation of surfactant membranes under shear flow

Shear-flow-induced structure formation in surfactant-water mixtures is investigated numerically using a meshless-membrane model in combination with a particle-based hydrodynamics simulation approach for the solvent. At low shear rates, uni-lamellar vesicles and planar lamellae structures are formed at small and large membrane volume fractions, respectively. At high shear rates, lamellar states exhibit an undulation instability, leading to rolled or cylindrical membrane shapes oriented in the flow direction. The spatial symmetry and structure factor of this rolled state agree with those of intermediate states during lamellar-to-onion transition measured by time-resolved scatting experiments. Structural evolution in time exhibits a moderate dependence on the initial condition.

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