Characterization of sulfur and nitrogen compounds in Brazilian petroleum derivatives using ionic liquid capillary columns in comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection

Fontanive, Fernando Cappelli; Souza-Silva, Érica A.; Silva, Juliana Macedo da; Caramão, Elina Bastos; Zini, Cláudia Alcaraz

doi:10.1016/j.chroma.2016.07.025

Cited by 26 publications

(4 citation statements)

References 56 publications

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“…Since it is difficult to adapt olfactometry to GC × GC, better untargeted screening selectivity can be potentially achieved by selecting capillary columns. For instance, the ionic liquid (IL) capillary column used as 2 D column demonstrated good separation performance for organic sulfur compounds in the qualitative analysis of diesel and naphtha (Fontanive et al, 2016). The potential for using IL capillary columns for preparative or analytical analysis of new volatile sulfur compounds in wine is yet to be explored.…”

Section: 2mentioning

confidence: 99%

Strategies for the identification and sensory evaluation of volatile constituents in wine

Chen

Darriet

2021

Comp Rev Food Sci Food Safe

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Wine aroma, which stems from complex perceptual and cognitive processes, is initially driven by a multitude of naturally occurring volatile constituents. Its interpretation depends on the characterization of relevant volatile constituents. With large numbers of volatile constituents already identified, the search for unknown volatiles in wine has become increasingly challenging. However, the opportunities to discover unknown volatile compounds contributing to the wine volatilome are still of great interest, as demonstrated by the recent identification of highly odorous trace (µg/L) to ultra-trace (ng/L) volatile compounds in wine. This review provides an overview of both existing strategies and future directions on identifying unknown volatile constituents in wine. Chemical identification, including sample extraction, fractionation, gas chromatography, olfactometry, and mass spectrometry, is comprehensively covered. In addition, this review also focuses on aspects related to sensory-guided wine selection, authentic reference standards, artifacts and interferences, and the evaluation of the sensory significance of discovered wine volatiles. Powerful key volatile odorants present at ultra-trace levels, for which these analytical approaches have been successfully applied, are discussed. Research areas where novel wine volatiles are likely to be identified are pointed out. The importance of perceptual interaction phenomena is emphasized. Finally, future avenues for the exploration of yet unknown wine volatiles by coupling analytical approaches and sensory evaluation are suggested.

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Section: 2mentioning

confidence: 99%

Strategies for the identification and sensory evaluation of volatile constituents in wine

Chen

Darriet

2021

Comp Rev Food Sci Food Safe

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“…The IL-59/DB-5MS column combination provided better results for the analysis of nitrogen compounds, including a higher number of tentative identification of detected compounds and higher 2D chromatographic space occupation. 449 In another study, Wang and his workers have reported the combination of GC × GC-EI-TOF MS and electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) enabled to identify and quantify the unique compounds in the DB301 condensate, involving a high abundance of diamondoid and ethanodiamondoid (1-2 cages) hydrocarbons. In addition, the dicyclic monoterpene pinane (trans and cis isomers) and aromatic amine fused with the pinane skeleton were also determined.…”

Section: Figure 5 Gc×gc-tofms 2d-color Diagram (Eic Mode) Showing Gro...mentioning

confidence: 99%

“…The use of an ionic liquid capillary column (sets DB-5MS/IL-59 and IL-59/DB-5MS) resulted in the detection of a higher number of sulfur compounds compared to the utilization of usual stationary phases such as DB-17. The IL-59/DB-5MS column combination provided better results for the analysis of nitrogen compounds, including a higher number of tentative identifications of detected compounds and higher 2D chromatographic space occupations …”

Section: Advances In Analytical Tools For Complex Petroleum Mixturesmentioning

confidence: 99%

Analytics Driving Kinetics: Advanced Mass Spectrometric Characterization of Petroleum Products

et al. 2021

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The current state-of-the-art in analysis techniques for petroleum fractions has progressed substantially during the last decade. This has helped to further improve the lumping procedures and modeling approaches of these complex systems. Recent advances in gas chromatography (GC), GC-field ionization mass spectrometry (GC-FIMS), and comprehensive gas chromatography (GC × GC) have made it possible to determine the compositions of fractions with up to 45 carbon atoms and in some cases up to C80. The combination of MS techniques with other selective detectors and reversed-phase column combinations has made it possible to quantify even traces of heteroatomic compounds in these complex hydrocarbon matrices. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), in some cases combined with GC × GC for the lighter part, has pushed the characterization of larger macromolecules in particular asphaltenes. Matrix-assisted laser desorption/ionization (MALDI) is also used widely for this purpose but has the disadvantage that quantification is not obvious. The development of more detailed characterization techniques has not remained unnoticed in the petrochemical society, and more recently in the petrochemical kinetic modeling society. More detailed characterization of petrochemical fractions has made the implementation of detailed kinetic models for simulation and optimization possible including more and more molecular detail. Additionally, advances in photo-ionization mass spectrometry (PI-MS) have allowed the detection of reactive intermediates and direct kinetic measurements in time-resolved experiments. It can only be expected that this trend will continue and that the application field will move from now primarily petrochemistry, (from catalytic cracking, over hydrotreating and hydrocracking, to pyrolysis, combustion, and steam cracking) to larger-scale chemical recycling and biomass conversion processes.

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“…When coupled with a mass spectrometer, the separation potential of GC × GC is further enhanced by the rich data generated from the detector. GC × GC‐MS has been widely applied in various areas of analysis such as petroleum [5–14], environmental [15–22], metabolomics [23–29], etc. Recent reviews have highlighted several areas where GC × GC‐MS has been applied [30–35].…”

Section: Introductionmentioning

confidence: 99%

Unique ion filter—A data reduction tool for chemometric analysis of raw comprehensive two‐dimensional gas chromatography‐mass spectrometry data

Adutwum

Kwao

Harynuk

2021

J of Separation Science

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Funding informationNatural Sciences and Engineering Research Council; Genome Canada; Canada Foundation for Innovation Comprehensive gas chromatography with time of flight mass spectrometry is a powerful tool in the analysis of complex samples. Chemometric analysis of raw chromatographic data is more useful in one-and two-dimensional separations relative to peak tables. The data volume from such experiments generally necessitates the use of data reduction tools. Such tools often sacrifice some of the multivariate information in the mass to charge ratio dimension. The unique ion filter reduces the over-redundancy in two-dimensional gas chromatographymass spectrometry data by limiting the data to a few unique/pseudo-unique ions, sub-peaks/slices in the first dimension, and spectra in the second dimension. We explore the performance of this algorithm through careful inspection of two-dimensional gas chromatography-mass spectrometry data before and after application of the filter. A reduction (99%) in the number of variables in a twodimensional gas chromatography-mass spectrometry chromatogram passed on to subsequent analysis was observed. Feature selection times for model optimization reduced from 229 (±13) to 6.8 (±0.5) min when the filter was applied. An estimate of two unique/pseudo-unique ions, one sub-peak in the first dimension and five spectra in the second dimension were considered to provide a true representation of each chromatogram and provided enough information to achieve 100% model prediction accuracy.

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Characterization of sulfur and nitrogen compounds in Brazilian petroleum derivatives using ionic liquid capillary columns in comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection

Cited by 26 publications

References 56 publications

Strategies for the identification and sensory evaluation of volatile constituents in wine

Strategies for the identification and sensory evaluation of volatile constituents in wine

Analytics Driving Kinetics: Advanced Mass Spectrometric Characterization of Petroleum Products

Unique ion filter—A data reduction tool for chemometric analysis of raw comprehensive two‐dimensional gas chromatography‐mass spectrometry data

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