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. 2002 Apr 9;99(8):5081–5087. doi: 10.1073/pnas.062684999

Table 2.

PS reactive: CST; mass/shell filling analysis

Compound 5 Compound 6 Compound 7 Compound 8
Formula
 [Dc-E-Y]-amide-{Ds-N-X}n [Dc4.5Y]-amide-{Ds3.0X}n* [Dc4.5Y]-amide-{Ds3.0X}n** [Dc4.5Y]-amide-{Ds4.0X}n* [Dc4.5Y]-amide-{Ds5.0X}n*
MW (calculated) for saturated shell 173,915 140,133 202,352 255,847
Number of shell tectons observed§/  theoretical 12/21 14/23 3–4/12 2–3/8‡‡
% Shell filling 65 62 36 33
PAGE (MW) 114,500 87,340 73,500 84,000

In the notation [Dc-E-Y]-amide-{Ds-N-X}n, n = number of dendrimer shell molecules {Ds-N-X} surrounding the dendrimer core molecule [Dc-E-Y], where [Dc-E-Y] represents carboxymethyl ester-terminated, [EDA* or NH3**], generation E, PAMAM dendrimer core reagent and {Ds-N-X} represents amine-terminated, [EDA* or NH3**] core, generation N, PAMAM dendrimer shell reagent. 

MW of theoretical number of shell dendrimer tectons plus core tecton, as determined from MALDI-TOF-MS data for individual core and shell tecton MWs. Values used for n in these calculations were obtained by using the Mansfield–Tomalia–Rakesh equation as described (48, 50), or when r1/r2 < 1.2 then 

r1/r2 = 1.1 (shell saturation = 12), 

‡‡

r1/r2 = 0.72 (shell saturations = 8). 

§

Based on the experimental PAGE MWs of the reactive tecto(dendrimer)s as observed in crude reaction mixture after partial removal of excess shell reagent. 

The theoretical number (n) of dendrimer shell molecules that would be expected to surround a specific dendrimer core molecule according to the Mansfield–Tomalia–Rakesh equation or when r1/r2 < 1.2 (48, 50).