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Adsorption mechanism of arg-gly-asp on rutile (110) surface in aqueous solution
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10.1116/1.3046149
/content/avs/journal/jvstb/27/3/10.1116/1.3046149
http://aip.metastore.ingenta.com/content/avs/journal/jvstb/27/3/10.1116/1.3046149
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Color online) RGD (a) and the nanoscale morphology adsorption model (model II) (b). , RGD, and water are shown by CPK mode, ball-and-stick mode, and line mode, respectively. Color codes: oxygen, dark gray; hydrogen, white; nitrogen, black; carbon, medium gray; titanium, light gray.

Image of FIG. 2.
FIG. 2.

(Color online) RDFs of -water, , and .

Image of FIG. 3.
FIG. 3.

(Color online) Conformations of RGD adsorbed on the perfect (110) at 2 ns (a), 4 ns (b), and the nanoscale (110) at 0.34 ns (c), 0.6 ns (d), and 0.95 ns (e). The dashed lines show the hydrogen bonds. , RGD, and water molecule are shown in CPK mode, ball-and-stick mode and line mode, respectively. Color codes: oxygen, dark gray; hydrogen, white; nitrogen, black; carbon, medium gray; titanium, light gray.

Image of FIG. 4.
FIG. 4.

(Color online) Distributions of backbone dihedral angles of RGD adsorbed on the pit surface as a function of simulation time.

Image of FIG. 5.
FIG. 5.

(Color online) Interaction forces of water and RGD with the surface oxygen atoms as a function of simulation time.

Image of FIG. 6.
FIG. 6.

(Color online) Surface water density and orientation order parameter as a function of distance from the surface.

Image of FIG. 7.
FIG. 7.

(Color online) Probability distributions of water on the perfect (110) surface: (a) first hydration layers, (b) second hydration layers. Color codes: surface bridging oxygen, small circle; fivefold titanium, dot.

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/content/avs/journal/jvstb/27/3/10.1116/1.3046149
2009-05-27
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Adsorption mechanism of arg-gly-asp on rutile TiO2 (110) surface in aqueous solution
http://aip.metastore.ingenta.com/content/avs/journal/jvstb/27/3/10.1116/1.3046149
10.1116/1.3046149
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