1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers
Rent:
Rent this article for
USD
10.1063/1.4817337
/content/aip/journal/jcp/139/6/10.1063/1.4817337
http://aip.metastore.ingenta.com/content/aip/journal/jcp/139/6/10.1063/1.4817337

Figures

Image of FIG. 1.
FIG. 1.

Chemical structure of the G1 PLL dendrimer. The black line shows the core, the green line shows an inner lysine residue, and the red line shows a terminal lysine residue.

Image of FIG. 2.
FIG. 2.

Solvent accessible surfaces of the dendrimers of = 1 to = 5 generations.

Image of FIG. 3.
FIG. 3.

Asphericity as a function of dendrimer molecular mass .

Image of FIG. 4.
FIG. 4.

Dependence of gyration radius on the product ( is the molecular mass and is the generation number).

Image of FIG. 5.
FIG. 5.

Dendrimer hydrodynamic radius as a function of molecular mass (double log scale). Experimental data (black triangles) and estimates from MD simulation: through 5% water density decay (red circles) and through (blue diamonds). Statistical errors are within 5%.

Image of FIG. 6.
FIG. 6.

Density profiles for dendrimers of generations G from 1 to 5. is the distance from the center of mass.

Image of FIG. 7.
FIG. 7.

Number of terminal groups at a given distance from the dendrimer center in the case of fully stretched spacers for different generations . The dashed lines are eye guides.

Image of FIG. 8.
FIG. 8.

Distribution density of terminal groups, is the distance from the dendrimer center.

Image of FIG. 9.
FIG. 9.

Average number of water molecules ⟨ ⟩ within a sphere of radius equal to hydrodynamic radius .

Image of FIG. 10.
FIG. 10.

Number of water molecules ⟨ ⟩ in the first coordination sphere of terminal groups as a function of the contour length of the corresponding branch.

Image of FIG. 11.
FIG. 11.

(a) Charge distribution density (/ ). (b) Integral charge of the sphere with radius (in units of ) for different generations .

Image of FIG. 12.
FIG. 12.

Ratio between uncompensated charge obtained from simulation ( ) or analytic theory (*) and the dendrimer charge as a function of the distance from the dendrimer center of mass where negative charges of counterions compensate positive dendrimer charges.

Tables

Generic image for table
Table I.

Parameters of simulated dendrimers.

Generic image for table
Table II.

Radii of gyration .

Loading

Article metrics loading...

/content/aip/journal/jcp/139/6/10.1063/1.4817337
2013-08-12
2014-04-23
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers
http://aip.metastore.ingenta.com/content/aip/journal/jcp/139/6/10.1063/1.4817337
10.1063/1.4817337
SEARCH_EXPAND_ITEM