34.
dos Reis M. M., Biloti D. N., Ferreira, M. M. C., Pessine, F. B. T., Teixeira, G. M., “PARAFAC for Spectral Curve Resolution: A Case Study Using Total Luminescence in Human Dental Tartar”. Appl. Spectrosc., 55(7), 847-851 (Jul 2001).
[Article.]

Abstract.
Chromophore identification in biological samples often requires the physical separation of the compounds, which can be difficult. Although there
are several advantages to hyphenated spectroscopic techniques for identification of substances, complex mixtures of chromophores presenting
overlapped spectra cannot be identified directly through this method. This work presents an application of chemometrics to compound identification
in biological samples by a spectroscopic hyphenated technique using a curve resolution method. The PARAllel FACtor analysis model
(PARAFAC), which has no rotational indeterminacy, was used for curve resolution of excitation-emission spectra of human dental tartars.
PARAFAC was applied under constraints (i.e., unimodality and non-negativity) and evaluated with a validation procedure. The resolved profiles
are porphyrinic-like spectra presenting excitation band maxima at 407, 416, and 431 nm in the Soret band region (390-440 nm) of these substances.

Keywords.
Porphyrinic Excitation-Emission Spectra; PARAFAC; Curve Resolution; Tartar.

Keywords Plus.