Comparison of Frequency-Domain and Time-Domain Baseline Correction Approaches for Infrared Absorption Spectroscopy of Mixtures Containing Up to 464 Components.

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  • Author(s): Okada H;Okada H; Sanders ST; Sanders ST
  • Source:
    Applied spectroscopy [Appl Spectrosc] 2024 Apr; Vol. 78 (4), pp. 376-386. Date of Electronic Publication: 2024 Feb 01.
  • Publication Type:
    Journal Article
  • Language:
    English
  • Additional Information
    • Source:
      Publisher: Sage Country of Publication: United States NLM ID: 0372406 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1943-3530 (Electronic) Linking ISSN: 00037028 NLM ISO Abbreviation: Appl Spectrosc Subsets: PubMed not MEDLINE; MEDLINE
    • Publication Information:
      Publication: 2016- : Thousand Oaks, CA : Sage
      Original Publication: Plainfield, N. J., Society for Applied Spectroscopy.
    • Abstract:
      Many baseline correction approaches have been developed to address baseline artifacts observed in measured infrared (IR) absorption spectra during post-processing. These approaches offer distinct advantages and disadvantages, and the choice of which one to employ depends on the complexity of baseline artifacts present in a particular application. In this paper, we compare the performance of two baseline correction approaches: a frequency-domain polynomial fitting approach and a time-domain modified free induction decay approach, under various baseline scenarios, spectral resolutions, and noise levels for mixtures containing up to 464 species. Our results showed that the frequency-domain approach outperformed the time-domain approach by a factor of up to 16 when the baseline was represented by a sine wave with fewer than two cycles over the full spectral range. On the other hand, the time-domain approach performed up to 12 times better when the baseline featured two cycles of a sine wave. Additionally, we observed that the time-domain approach exhibited higher sensitivity to spectral resolution and underperformed when the noise level was high. The findings of this study emphasize the importance of numerically testing a few candidate approaches for a given application, taking into consideration baseline characteristics, as well as the spectral resolution and noise constraints of the application.
      Competing Interests: Declaration of Conflicting InterestsThe authors declared no potential conflicts of interest with respect to the research, authorship, and/or publication of this article.
    • Contributed Indexing:
      Keywords: IR‌; Infrared spectroscopy; baseline correction methods; cepstral analysis; frequency-domain; least squares method; property determination; time-domain
    • Publication Date:
      Date Created: 20240202 Latest Revision: 20240312
    • Publication Date:
      20240313
    • Accession Number:
      10.1177/00037028241226989
    • Accession Number:
      38303555