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Relationships in Gas Chromatography—Fourier Transform Infrared Spectroscopy—Comprehensive and Multilinear Analysis

Authors :
Junaida Shezmin Zavahir
Jamieson S. P. Smith
Scott Blundell
Habtewold D. Waktola
Yada Nolvachai
Bayden R. Wood
Philip J. Marriott
Source :
Separations, Vol 7, Iss 2, p 27 (2020)
Publication Year :
2020
Publisher :
MDPI AG, 2020.

Abstract

Molecular spectroscopic detection techniques, such as Fourier transform infrared spectroscopy (FTIR), provides additional specificity for isomers where often mass spectrometry (MS) fails, due to similar fragmentation patterns. A hyphenated system of gas chromatography (GC) with FTIR via a light-pipe interface is reported in this study to explore a number of GC–FTIR analytical capabilities. Various compound classes were analyzed—aromatics, essential oils and oximes. Variation in chromatographic peak parameters due to the light-pipe was observed via sequentially-located flame ionization detection data. Unique FTIR spectra were observed for separated mixtures of essential oil isomers having similar mass spectra. Presentation of GC×FTIR allows a ‘comprehensive’-style experiment to be developed. This was used to obtain spectroscopic/separation profiles for interconverting oxime species with their individual spectra in the overlap region being displayed on a color contour plot. Partial least square regression provides multivariate quantitative analysis of co-eluting cresol isomers derived from GC–FTIR data. The model resulted in an R2 of 0.99. Prediction was obtained with R2 prediction value of 0.88 and RMSEP of 0.57, confirming the method’s suitability. This study explores the potential of GC–FTIR hyphenation and re-iterates its value to derive unambiguous and detailed molecular information which is complementary to MS.

Details

Language :
English
ISSN :
22978739
Volume :
7
Issue :
2
Database :
Directory of Open Access Journals
Journal :
Separations
Publication Type :
Academic Journal
Accession number :
edsdoj.356d527ea1654559bf4c9aff691d6436
Document Type :
article
Full Text :
https://doi.org/10.3390/separations7020027