Comparison of methods for reconstruction of gas chromatograms from interferometric gas chromatography/infrared spectrometry data

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

doi:10.1021/ac00235a014

Cited by 34 publications

(10 citation statements)

References 3 publications

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“…12 Depending on the study parameters and absorption patterns of sample constituents, spectral window optimization methods may require inclusion of the centerburst. 13 For IR spectroscopic imaging instruments, the scattering component in a spectrum provides an additional contrast variable across the field of view, similar to optical microscopy, in which the contrast is determined by differences in refractive indices between phases. Thus, spatial regions encompassing interfaces between sample phases of differing infrared refractive indices will demonstrate strong changes in the centerburst vicinity, while spatial regions away from the interface will be more sensitive to changes in the narrow-er absorption bands, which arise from interferogram portions removed from the centerburst.…”

Section: Gram-schmidt Vector Orthogonalizationmentioning

confidence: 99%

“…7 Using simultaneous simplex optimizations to improve prediction, a task computationally more expensive than a low-resolution fast Fourier transform (FFT) transformation, the number of basis vectors suggested was ϳ50-80% of the interferogram, including the centerburst. 13 Another perspective on the region of the interferogram to be selected is afforded by an analysis of the contribution of the absorbance, at a A, wavenumber,…”

Section: Gram-schmidt Vector Orthogonalizationmentioning

confidence: 99%

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Gram—Schmidt Orthogonalization for Rapid Reconstructions of Fourier Transform Infrared Spectroscopic Imaging Data

Bhargava

Levin

2004

Appl Spectrosc

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Increasingly voluminous Fourier transform infrared (FT-IR) spectroscopic imaging data sets are being generated with the advent of both faster array detectors and the implementation of time-resolved imaging techniques, resulting in data processing becoming the limiting step in visualizing sample heterogeneity and temporal profile evolution. We report the application of a Gram-Schmidt vector orthogonalization procedure in interferogram space to provide a significant time saving advantage in processing of one to two orders of magnitude in comparison to conventional spectral processing. Illustrative data from human skin biopsies and from dynamic molecular reorganizations within liquid crystalline microdomains is employed to discuss the capabilities and limitations of this information-extraction approach.

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Section: Gram-schmidt Vector Orthogonalizationmentioning

confidence: 99%

Section: Gram-schmidt Vector Orthogonalizationmentioning

confidence: 99%

Gram—Schmidt Orthogonalization for Rapid Reconstructions of Fourier Transform Infrared Spectroscopic Imaging Data

Bhargava

Levin

2004

Appl Spectrosc

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“…Three techniques are commonly used for reconstructing the Chromatographie information from the absorbance data [105][106][107][108]. Three techniques are commonly used for reconstructing the Chromatographie information from the absorbance data [105][106][107][108].…”

Section: Instrumental Requirements For Fourier Transform Infrared Spementioning

confidence: 99%

Hyphenated Methods for Identification After Chromatographic Separation

Poole

1991

Chromatography Today

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“…A reconstruction method based on factor analysis has also been reported (10). Many studies have also been reported comparing the different reconstruction techniques (11)(12)(13).…”

Section: Introductionmentioning

confidence: 99%

Reconstruction of gas chromatograms from digitally filtered Fourier-transform infrared interferograms

Bjerga¹,

Small²

1989

Anal. Chem.

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Two methods have commonly been used to reconstruct gas chromatograms from interferograms collected during gas chromatography/Fourler transform infrared spectroscopy (GC/FTIR) experiments. Gram-Schmidt orthogonalization has been applied to a section of the raw Interferograms, or the fast Fourier transform has been applied to the Interferogram followed by absorbance calculations over specific frequency windows. The former method is preferred for Its ability to operate In real time, while the latter method Is able to produce reconstructions selective for user-defined frequencies. In the work presented here, the trade-offs between these methods are resolved through the use of digital filtering techniques. Band-pass digital filters are mathematical transforms that can operate on Interferogram segments In a frequency-dependent manner. Effectively, a digital filter removes frequency Information outside the range(s) of Interest from the interferogram segment. The sum of squares of the filtered Interferogram segment can then be plotted vs Interferogram number to obtain the reconstructed chromatogram. Through this procedure, the selectivity of the fast Fourier transform method Is obtained at a computational speed comparable to the Gram-Schmidt method. Gas chromatograms from a series of GC/FTIR data sets are reconstructed by use of established techniques and compared to reconstructions produced with the digital filter technique. On the basis of the combination of selectivity, slgnal-to-nolse ratio, and computational speed, the digital filtering approach Is shown to be the preferred reconstruction technique.

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Comparison of methods for reconstruction of gas chromatograms from interferometric gas chromatography/infrared spectrometry data

Cited by 34 publications

References 3 publications

Gram—Schmidt Orthogonalization for Rapid Reconstructions of Fourier Transform Infrared Spectroscopic Imaging Data

Gram—Schmidt Orthogonalization for Rapid Reconstructions of Fourier Transform Infrared Spectroscopic Imaging Data

Hyphenated Methods for Identification After Chromatographic Separation

Reconstruction of gas chromatograms from digitally filtered Fourier-transform infrared interferograms

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