Effects of interferogram sampling of gas chromatography/Fourier transform infrared data on Gram-Schmidt chromatogram reconstruction

White, Robert L.; Giss, G; Brissey, Gregory M.; Wilkins, Charles L.

doi:10.1021/ac00258a004

Cited by 19 publications

(2 citation statements)

References 8 publications

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“…V ′ is then normalized; we denote this set of vectors by E = [ e 1 , e 2 , e 3 , ..., e n ]. De Haseth and Isenhour devised an ingenious way to bypass the Fourier transform calculation and directly construct GC-FTIR chromatograms through the Gram–Schmidt vector orthogonalization method. − However, the GC-FTIR and GC-MRR signals are fundamentally different. There is a strong signal corresponding to zero light absorption in the GC-FTIR blank interferogram.…”

Section: Theorymentioning

confidence: 99%

Direct Construction of Peaks from Free Induction Decay Curves for Gas Chromatography–Molecular Rotational Resonance Spectroscopy without Fourier Transforms

2022

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The concept of coupling gas chromatography with molecular rotational resonance spectroscopy (GC-MRR) was introduced in 2020, combining the separation capabilities of GC with the unparalleled specificity of MRR. In this study, we address the challenge of the high data throughput of MRR spectrometers, as GC-MRR spectrometers can generate thousands to millions of data points per second. In the previous GC-MRR studies, a free induction decay (FID) measurement was Fourier transformed to generate each point on the chromatogram. Such extensive calculations limit the performance, sensitivity, and speed of GC-MRR. A direct approach is proposed here to extract peak intensity from FID using the Gram–Schmidt vector orthogonalization method. First, analyte-free FIDs are used to construct a basis set representing the instrument’s background noise, and then the remaining FIDs are orthogonalized to this fixed basis set. Each FID yields a single intensity value after Gram–Schmidt orthogonalization. The magnitude of the orthogonalized analyte FID is the signal intensity plotted in the chromatogram. This approach is computationally much faster (up to 10 times) than the conventional Fourier transform algorithm, is at least as sensitive as the FT algorithm, and maintains or improves the chromatographic peak shape. We compare the sensitivity, linearity, and chromatographic peak shapes for the Fourier transform and Gram–Schmidt approaches using both synthetically generated FIDs and instrumental data. This approach would allow the summed peak intensity to be displayed essentially in real-time, following which identified peaks can be further investigated to identify and quantify the species associated with each.

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Section: Theorymentioning

confidence: 99%

Direct Construction of Peaks from Free Induction Decay Curves for Gas Chromatography–Molecular Rotational Resonance Spectroscopy without Fourier Transforms

2022

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“…This magnitude is a measure of the total infrared absorbance of the sample. These operations were fully described in the depends on both the spectral characteristics of the compound (5,6) and interferometer stability (4,6). Signal due to sample absorption is greatest at the centerburst and decays with increasing distance from the centerburst, with the rate of decay dependent on the bandwidths of the peaks.…”

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confidence: 99%