In:
The Journal of Chemical Physics, AIP Publishing, Vol. 127, No. 15 ( 2007-10-21)
Abstract:
A method has been developed for analyzing multicomponent mixtures containing N different types of noncovalently interacting aromatic molecules using spectroscopic data [nuclear magnetic resonance (NMR), UV-vis, fluorescence, circular dichroism]. The method is based on an algorithmical approach to modeling of the N-component dynamic equilibrium (N-STOCH algorithm), dealing with numbers in N-based numerical systems as analogs of molecular complexes being formed in solution. A basic property of the algorithm is the ability to incorporate any known specificity of molecular interactions without constructing complex mathematical formulas. The utility of the N-STOCH algorithm was demonstrated by using as an example the NMR investigation of the dissociation of a heteroassociation complex of two anticancer drugs on addition of caffeine.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
2007
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
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