Interpretation of FTIR spectra of polymers and Raman spectra of car paints by means of likelihood ratio approach supported by wavelet transform for reducing data dimensionality

Analytical and Bioanalytical Chemistry
Agnieszka MartynaG Zadora

Abstract

The problem of interpretation of common provenance of the samples within the infrared spectra database of polypropylene samples from car body parts and plastic containers as well as Raman spectra databases of blue solid and metallic automotive paints was under investigation. The research involved statistical tools such as likelihood ratio (LR) approach for expressing the evidential value of observed similarities and differences in the recorded spectra. Since the LR models can be easily proposed for databases described by a few variables, research focused on the problem of spectra dimensionality reduction characterised by more than a thousand variables. The objective of the studies was to combine the chemometric tools easily dealing with multidimensionality with an LR approach. The final variables used for LR models' construction were derived from the discrete wavelet transform (DWT) as a data dimensionality reduction technique supported by methods for variance analysis and corresponded with chemical information, i.e. typical absorption bands for polypropylene and peaks associated with pigments present in the car paints. Univariate and multivariate LR models were proposed, aiming at obtaining more information about the chemical ...Continue Reading

References

May 25, 2004·Journal of Chemical Information and Computer Sciences·Chaoxiong Ma, Xueguang Shao
Feb 24, 2007·Journal of Forensic Sciences·Colin G G AitkenDavid Lucy
Oct 17, 2008·Electrophoresis·Andrew WeeDavid Smith
Feb 18, 2010·Journal of Forensic Sciences·Grzegorz ZadoraColin Aitken
Jul 25, 2013·Journal of Forensic Sciences·Daniel RamosColin Aitken

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Citations

Mar 16, 2016·Science & Justice : Journal of the Forensic Science Society·Cyril MuehlethalerTacha Hicks
Apr 18, 2018·Analytical and Bioanalytical Chemistry·Agnieszka MartynaGrzegorz Zadora

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