Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10561479 | Talanta | 2005 | 8 Pages |
Abstract
Multivariate regression modeling techniques (PLS-1 regression modeling) were applied to ordinary UV spectral absorption data obtained on solutions containing inclusion complexes formed between homochiral modified cyclodextrins (methyl-β-cyclodextrin, α-, β-, and γ-carboxymethyl cyclodextrins and α-, β-, and γ-hydroxypropyl cyclodextrins) and four guest molecules of pharmaceutical interest (ephedrine, norephedrine, norepinephrine-l-bitartrate, and tryptophan methyl ester). The PLS-1 regression models were developed by correlating the known enantiomeric composition of laboratory prepared samples with ordinary UV absorption spectral data. The regression models were subsequently validated with laboratory-prepared test sets. The rms percent relative error in the predicted mol fraction of (1S, 2R)-(+)-ephedrine, (1S, 2R)-(+)-norephedrine, (R)-(â)-norepinephrine-l-bitartrate, and d-tryptophan methyl ester obtained with the independently prepared test sets was heavily dependent on the host molecule used.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Sayo O. Fakayode, Isabel M. Swamidoss, Marianna A. Busch, Kenneth W. Busch,