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Novel Use of a Static Modification of Two-Dimensional Correlation Analysis. Part II: Hetero-Spectral Correlations of Protein Raman, FT-IR, and Circular Dichroism Spectra

Volume 53, Number 6 (June 1999) Page 666-671

Kubelka, Jan; Pancoska, Petr; Keiderling, Timothy A.


The two-dimensional (2D) static correlation model developed in the previous paper is here extended to hetero-spectral applications for the correlation of spectral features arising from two separate techniques. The calculational method is detailed, and examples are given of Raman vs. circular dichroism (CD) (electronic) and Raman vs. Fourier transform infrared (FT-IR) 2D correlation and disrelation maps with fractional secondary structures used as the perturbation. This approach allows use of well-established secondary structure assignments of spectral features in one technique to interpret structurally less clearly assigned bands, particularly for beta- turns, or possibly misassigned bands in other spectra via their calculated 2D correlations.