Boletín de la Sociedad Geológica Mexicana Volumen 76, núm. 2, A150124, 2024 http://dx.doi.org/10.18268/BSGM2024v76n2a150124

Corrección de línea base semiautomática para espectroscopía infrarroja por transformada de Fourier (FTIR) para análisis arqueométricos

Semiautomatic baseline correction for Fourier transform infrared spectroscopy to archeometric analysis

Alan Nagaya¹, Oscar G. de Lucio^{1, *}, Laura López¹

¹ Laboratorio Nacional de Ciencias para la Investigación y Conservación del Patrimonio Cultural, Universidad Nacional Autónoma de México, Ciudad Universitaria, 04510 Coyoacán, CDMX, Mexico.

* Autor para correspondencia:(O. G. de Lucio) This email address is being protected from spambots. You need JavaScript enabled to view it.

Cómo citar este artículo:

Nagaya, A., de Lucio, O.G., López, L., 2024, Corrección de línea base semiautomática para espectroscopía infrarroja por transformada de Fourier (FTIR) para análisis arqueométricos, 76 (2), A150124. http://dx.doi.org/10.18268/BSGM2024v76n2a150124

Manuscrito recibido: 1° de noviembre de 2023; manuscrito corregido: 12 de enero de 2024; manuscrito aceptado: 13 de enero de 2024.

ABSTRACT

Fourier transform infrared spectroscopy (FTIR) is a widely used technique that provides molecular information about the analyzed sample, which is sensitive to the analysis environment and changes in it. Therefore, when the spectrum of a material is acquired, the background must be taken into account, since it is common for the experimental parameters to be modified, the baseline varies as well. For this reason, a semi-automatic baseline correction algorithm is proposed for spectra obtained by Fourier Transform Infrared (FTIR) Spectroscopy. In which, fourth-order Chebyshev polynomials are fitted to points selected by a threshold criterion. The algorithm was applied to the analysis of CaCO₃ y SiO₂ mixtures, for known concentrations, showing that spectrum information is preserved. On the other hand, the method was applied to verify the crystallinity of calcined bones, obtaining that the algorithm considers the shape of the bands. Preserving the physical information of the spectra and eliminating user errors. In addition to considering for band displacements.

Keywords: FTIR, baseline, Chebyshev polynomies, archeometry.