PARAFAC for Spectral Curve Resolution: A Case Study Using Total Luminescence in Human Dental Tartar

Autor:	Debora N. Biloti, Márcia M. C. Ferreira, Francisco B. T. Pessine, Gustavo M. Teixeira, M Reis
Rok vydání:	2001
Předmět:	Chemistry 010401 analytical chemistry Resolution (electron density) Analytical chemistry Chromophore 01 natural sciences Spectral line 0104 chemical sciences 010309 optics Chemometrics Spectral curve Physical separation 0103 physical sciences Luminescence Instrumentation Spectroscopy Excitation
Zdroj:	Applied Spectroscopy. 55:847-851
ISSN:	1943-3530 0003-7028
DOI:	10.1366/0003702011952875
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5ef017dc56fe2a08522440558f2988b0 https://doi.org/10.1366/0003702011952875 Zobrazit plný text záznamu