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Structure formation in binary mixtures of lipids and detergents: Self-assembly and vesicle division
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10.1063/1.4774324
/content/aip/journal/jcp/138/2/10.1063/1.4774324
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/2/10.1063/1.4774324
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Dependence of (a) the lateral diffusion coefficient D and (b) the effective line tension Γ of the membrane edges on ɛAB at N A = N B. (a) The symbols with lines represent data for (⋄), 0.4 (□), 0.8 (○), and 1.2 (△) at . The diffusion coefficient D is normalized using the diffusion coefficient D 0 = σ20 of an isolated molecule. (b) The symbols with solid lines represent data at . The symbols with dashed lines represent data at (▽) and 1 (×).

Image of FIG. 2.
FIG. 2.

Sequential snapshots of self-assembly into bicelles at N A = N B = 2000 and ɛAB = 1. (a)–(d) All molecules in the simulation are shown at (a) t = 0, (b) 1000τ0, (c) 100 000τ0, and (d) 1 000 000τ0. (e)–(g) The largest cluster is shown at (e) t = 1000τ0, (f) 10 000τ0, and (g) 1 000 000τ0. The red (yellow) and light blue (light yellow) hemispheres represent the hydrophilic (hydrophobic) parts of type A and type B molecules, respectively.

Image of FIG. 3.
FIG. 3.

Sequential snapshots of self-assembly into a vesicle and micelles at N A = N B = 2000 and ɛAB = 3. (a)–(d) All molecules in the simulation are shown at (a) t = 5000τ0, (b) 100 000τ0, (c) 803 000τ0, and (d) 1 000 000τ0. (e)–(g) The largest cluster is shown at (e) t = 5000τ0, (f) 30 000τ0, and (g) 100 000τ0.

Image of FIG. 4.
FIG. 4.

Snapshots of self-assembled micelles for (a) ɛAB = 0 and (b) ɛAB = 2 at N A = N B = 2000 and t = 1 000 000τ0.

Image of FIG. 5.
FIG. 5.

Time development of the mean cluster size ⟨n cl⟩. (a) N B/N = 1. (b) N B/N = 0.25, 0.5, 0.75, 0.9, and 1 at ɛAB = 1. (c) ɛAB = 0, 1, 2, and 3 at N B/N = 0.5. The error-bars are shown at several data points.

Image of FIG. 6.
FIG. 6.

Time development of the mean asphericity ⟨αsp⟩ of clusters at N B/N = 0.5, (a) Averaged for all clusters with i cl > 10 at ɛAB = 0, 1, 2, and 3. (b) Averaged for clusters with 10 < i cl ⩽ 50, 50 < i cl ⩽ 100, and i cl > 100 at ɛAB = 3. The error-bars are shown at several data points.

Image of FIG. 7.
FIG. 7.

Sequential snapshots of vesicle division due to surfactant adsorption at and ɛAB = −5. (a) t = 0 (b) t = 8550τ0. (c) t = 8563τ0. (d) t = 8570τ0. (a) All molecules in the simulation are shown. (b)–(d) Upper and lower snapshots show whole and cross-sectional views of vesicles, respectively.

Image of FIG. 8.
FIG. 8.

Sequential snapshots of vesicle rupturing into worm-like micelles at and ɛAB = −5. (a) t = 7600τ0. (b) t = 8200τ0. (c) t = 9500τ0. (d) t = 30 000τ0. (a)–(c) Only the largest cluster is shown. The lower snapshot in (a) shows the cross-sectional view of the vesicle. (d) All molecules in the simulation are shown.

Image of FIG. 9.
FIG. 9.

Time development of (a) the number N clus of molecules in the first and second largest clusters and (b) the aspericity αsp of the largest cluster for (•) and 1.2 (×). The cluster size is normalized by the initial vesicle size, N int = 2000. The same data are shown in Figs. 7 and 8 .

Image of FIG. 10.
FIG. 10.

Detergent-adsorption-induced vesicle division and worm-like micelle formation. (a) Probability of structure changes at for (○), 1 (△), and 1.2 (□). The solid lines represent the sum of vesicle division and micelle formation. The dashed lines represent worm-like micelle formation. (b) Phase diagram of vesicle structure for (○), 0.8 (△), and 1 (□). The vesicle maintains its shape for ɛAB values above the solid line. The vesicle is divided into two vesicles or transforms into worm-like micelles below the line.

Image of FIG. 11.
FIG. 11.

Time development of the mean number ⟨N ves⟩ of molecules in the vesicle. (a) ɛAB = 0, −1, −2, −3, −4, and −5 at . (b) , 0.2, 0.4, 0.6, 0.8, 1, and 1.2 at ɛAB = −4. Divided vesicles are not taken into account for the average in (b).

Image of FIG. 12.
FIG. 12.

Vesicle initial growth rate k ad = ⟨N ves⟩τ0/dt| t = 0 at (□), 0.8 (△), 1.2 (○) and ɛAB = −4. The rate is normalized by the initial monomer concentration ρ1 in (b).

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/content/aip/journal/jcp/138/2/10.1063/1.4774324
2013-01-11
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structure formation in binary mixtures of lipids and detergents: Self-assembly and vesicle division
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/2/10.1063/1.4774324
10.1063/1.4774324
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