Collect. Czech. Chem. Commun. 1979, 44, 1296-1311

Modified factor analysis of the circular dichroism spectra, applied to a series of cyclodipeptides containing L-proline

Petr Pančoška, Ivo Frič and Karel Bláha

Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, 166 10 Prague 6


A mathematical model has been developed which uses the theory of Hilbert spaces and the modified method of the principal components of the factor analysis to the determination of the minimum number of subspectra sufficient to describe a set of experimental CD curves of a series of structurally related compounds. The use of this method has been demonstrated on the CD spectra of nine cyclodipeptides containing (besides L-proline) glycine, L or D alanine, L or D valine, L or D leucine, and L or D tert-leucine, measured in acetonitrile and 2,2,2-trifluoroethanol. Relation is discussed between the calculated subspectra and the structural characteristics of the measured systems.