Abstract
Abstract The extended principal-component-analysis (PCA) method has been applied to circular dichroism (CD) and optical rotatory dispersion (ORD). The validity of this method has been examined with ideal binary and ternary equilibrium systems, for which the data CD spectra and ORD curves were computer-generated. Satisfactory results were obtained for these multicomponent optically active systems. As an example, the ultraviolet CD spectra of poly(α-l-glutamic acid) in the pH-induced helix-coil transition region were analyzed with the PCA procedure. By the extended PCA method, the pure CD spectra for both helix and random-coil conformations and the helix fractions in the transition region were determined from eight experimentally obtained CD spectra. By introducing an empirical parameter α into the Henderson-Hasselbalch equation, the helix-coil transition curve was reproduced reasonably well.
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