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Theoretical Postulation of Mass Spectral Quantity and Distribution in Competitive Dynamic Dendrimer Mixtures
Author(s) -
Leung Ken ChamFai
Publication year - 2009
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200900021
Subject(s) - dendrimer , steric effects , chemistry , distribution (mathematics) , mass spectrum , mass distribution , spectral analysis , chemical physics , computational chemistry , mass spectrometry , stereochemistry , polymer chemistry , physics , chromatography , mathematics , spectroscopy , mathematical analysis , quantum mechanics , galaxy
The theoretical postulations of mass spectral quantities and distributions of the three dynamic combinatorial libraries (DCLs) of mechanically interlocked dendrimers ([4]rotaxanes, molecular weight up to 8 800 kDa) have been investigated. The number of different dendrimers in the three library mixtures is 4, 10, and 20. The theoretical postulations involve their macroconstants in a combination with statistical distribution, binding constant, steric, and hydrophobic effects. We found out that the mass spectral intensities which relate to the dendrimer quantities in a competitive mixture are not random, but with a predictable trend in terms of their macroconstants. This postulation agrees significantly well with most of the experimentally determined mass spectral intensities in the dendrimer mixtures.