Evaluation of the retention profile in flow-modulated comprehensive two-dimensional gas chromatography and independent component analysis of weathered heavy oils

Oliveira, Amilton Moreira de; Teixeira, Carlos Alberto; Hantao, Leandro Wang

doi:10.1016/j.microc.2021.106978

Cited by 8 publications

(5 citation statements)

References 44 publications

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“…A 2.5 m × 0.10 mm-id restrictor capillary was employed to avoid excessive compound retention. 17 Helium was used as auxiliary gas at 25 mL min −1 . A modulation period of 3 s with 250 ms flush time was employed.…”

Section: Methodsmentioning

confidence: 99%

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Advanced tuning of the ion management parameters in GC × GC-HRMS using a Fourier transform Orbitrap mass analyzer for pixel-based data handling and multivariate analysis

2022

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Section: Methodsmentioning

confidence: 99%

“…Thus, multivariate algorithms are advised to handle such data sets. 14,15 Chemometrics provides many interesting tools for multivariate data processing, including pattern recognition, 16,17 sample classication, 8,15 and regression methods. 18,19 Data input is vital for chemometric analyses.…”

Section: Introductionmentioning

confidence: 99%

Advanced tuning of the ion management parameters in GC × GC-HRMS using a Fourier transform Orbitrap mass analyzer for pixel-based data handling and multivariate analysis

2022

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“…Giardina et al [47] developed an accurate model for the design and operation of such a backflush or "reverse fill/flush" (RFF) modulator. Moreira de Oliveira et al [48] compared optimized forward-flush (FF) and RFF modulators and found the latter to perform best for C 20 + hydrocarbons.…”

Section: Progress In Flow Modulationmentioning

confidence: 99%

“…Moreira de Oliveira et al. [48] compared optimized forward‐flush (FF) and RFF modulators and found the latter to perform best for C 20 + hydrocarbons.…”

Section: Modulationmentioning

confidence: 99%

Comprehensive two‐dimensional gas chromatography— A discussion on recent innovations

Milani,

van Gilst,

Pirok

et al. 2023

J of Separation Science

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Although comprehensive 2‐D GC is an established and often applied analytical method, the field is still highly dynamic thanks to a remarkable number of innovations. In this review, we discuss a number of recent developments in comprehensive 2‐D GC technology. A variety of modulation methods are still being actively investigated and many exciting improvements are discussed in this review. We also review interesting developments in detection methods, retention modeling, and data analysis.

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“…The growing use of comprehensive two-dimensional (2D) gas chromatography coupled with time-of-flight mass spectrometry (GC × GC-TOFMS) in fields such as forensics, − metabolomics, − petroleomics, − and food analysis − is due to the increased demand for a thorough characterization of the volatile and semivolatile profile of these complex samples. While GC × GC-TOFMS is a powerful technique, manual interpretation of its information-rich data can be onerous.…”

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confidence: 99%

Tile-Based Pairwise Analysis of GC × GC-TOFMS Data to Facilitate Analyte Discovery and Mass Spectrum Purification

et al. 2022

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A new tile-based pairwise analysis workflow, termed 1v1 analysis, is presented to discover and identify analytes that differentiate two chromatograms collected using comprehensive two-dimensional (2D) gas chromatography coupled with time-of-flight mass spectrometry (GC × GC-TOFMS). Tile-based 1v1 analysis easily discovered all 18 non-native analytes spiked in diesel fuel within the top 30 hits, outperforming standard pairwise chromatographic analyses. However, eight spiked analytes could not be identified with multivariate curve resolution-alternating least-squares (MCR-ALS) nor parallel factor analysis (PARAFAC) due to background contamination. Analyte identification was achieved with class comparison enabled-mass spectrum purification (CCE-MSP), which obtains a pure analyte spectrum by normalizing the spectra to an interferent mass channel (m/z) identified from 1v1 analysis and subtracting the two spectra. This report also details the development of CCE-MSP assisted MCR-ALS, which removes the identified interferent m/z from the data prior to decomposition. In total, 17 out of 18 spiked analytes had a match value (MV) > 800 with both versions of CCE-MSP. For example, MCR-ALS and PARAFAC were unable to decompose the pure spectrum of methyl decanoate (MVs < 200) due to its low 2D chromatographic resolution (∼0.34) and high interferent-to-analyte signal ratio (∼30:1). By leveraging information gained from 1v1 analysis, CCE-MSP and CCE-MSP assisted MCR-ALS obtained a pure spectrum with an average MV of 908 and 964, respectively. Furthermore, tile-based 1v1 analysis was applied to track moisture damage in cacao beans, where 86 analytes with at least a 2-fold concentration change were discovered between the unmolded and molded samples. This 1v1 analysis workflow is beneficial for studies where multiple replicates are either unavailable or undesirable to save analysis time.

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Evaluation of the retention profile in flow-modulated comprehensive two-dimensional gas chromatography and independent component analysis of weathered heavy oils

Cited by 8 publications

References 44 publications

Advanced tuning of the ion management parameters in GC × GC-HRMS using a Fourier transform Orbitrap mass analyzer for pixel-based data handling and multivariate analysis

Advanced tuning of the ion management parameters in GC × GC-HRMS using a Fourier transform Orbitrap mass analyzer for pixel-based data handling and multivariate analysis

Comprehensive two‐dimensional gas chromatography— A discussion on recent innovations

Tile-Based Pairwise Analysis of GC × GC-TOFMS Data to Facilitate Analyte Discovery and Mass Spectrum Purification

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