Lipid profiling and analytical discrimination of seven cereals using high temperature gas chromatography coupled to high resolution quadrupole time-of-flight mass spectrometry

Hammann, Simon; Korf, Ansgar; Bull, Ian D.; Hayen, Heiko; Cramp, Lucy J E

doi:10.1016/j.foodchem.2018.12.109

Cited by 42 publications

(27 citation statements)

References 42 publications

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“…Among the compounds exanimated in the European HEALTHGRAIN project, phytosterols contents in common cereal grains took an important place. A large variability of sterols content was found in Triticum aestivum, T. spelta, T. turgidum var durum, T. turgidum var dicoccum, T. monococcum [11,[30][31][32], barley [33], Oat [25,34], rye [26,35]. Several reports have studied seed sterol content of a collection of durum and emmer wheats genotypes [11,[30][31][32]36].…”

Section: Introductionmentioning

confidence: 99%

Tetraploid Wheats: Valuable Source of Phytosterols and Phytostanols

Merah

Mouloungui

2019

Agronomy

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Phytosterols are known as healthy compounds obtained mainly from oilseed crops. Cereals were also studied for their sterols content. Few insights have been devoted to other tetraploid species than emmer and durum wheats. This work examined phytosterol and phytostanol content in seed of six tetraploid wheat species cultivated during two successive years under rainfed organic conditions in Auch (near Toulouse, France). Sterols (free and esterified sterols) were measured by gas-chromatography-flame ionisation detector. Mean value of sterols + stanols content was 99.5 mg 100 g−1 DW. The main sterol was β-sitosterol. Results showed a year effect on sterol content, whatever the wheat species. This could be explained by the differences in climatic conditions prevailing during plant cycle and grain filling. A large variability for sterols content was found between species and within each species. Emmer wheat revealed the lowest values for all sterols and stanols. Higher values of sterols were obtained in durum wheat. This work is the first report studying T. carthlicum, T. polonicum, T. turgidum, T. timopheevi. These species exhibited intermediate values of sterol contents between emmer and durum wheats. Wheat tetraploid species showed interesting levels of sterols and could serve as a great source of these healthy compounds mainly in Mediterranean region where they are consumed as wholegrain. Variation in climatic conditions could help to manage the level of these secondary metabolites.

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Section: Introductionmentioning

confidence: 99%

Tetraploid Wheats: Valuable Source of Phytosterols and Phytostanols

Merah

Mouloungui

2019

Agronomy

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“…GC/MS chromatograms of the saponified batches did not differ from analytically saponified PSO (data not shown). The most abundant peaks (GC elution range 19–20 min, Figure 2, range b) showed GC/MS spectra similar to squalene (five poorly separated terpenoid peaks with m/z 69 as the base peak, followed by m/z 81, m/z 95 as well as m/z 121 and m/z 137 at about the same intensity [Hammann et al, 2019]). The shorter retention time range of 10–14 min (Figure 2, range a) featured less prominent isoprenoid compounds with GC/MS spectra similar to phytol (base peak at m/z 143 [Vetter et al, 2012]) or farnesol (base peak m/z 69, and m/z 81, m/z 93, and m/z 135 [Lee et al, 2007]).…”

Section: Resultsmentioning

confidence: 99%

Countercurrent chromatography isolation of 11′‐γ‐tocomonoenol from pumpkin seed oil with detection of novel minor tocochromanols

Kröpfl

Nemetz

Peca

et al. 2021

J Americ Oil Chem Soc

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A non‐refined, organic pumpkin seed oil (PSO) was chosen for the isolation and structure verification of the rare vitamin E compound γ‐tocomonoenol (γ‐T1). Initial measurements indicated the presence of ~0.4 mg γ‐T1 per 100 g PSO. Saponification of ~2 L of PSO, followed by repeated countercurrent chromatography (CCC) with the solvent system n‐hexane/benzotrifluoride/acetonitrile (v/v/v) and silica gel column chromatography enabled the isolation of 6.8 mg γ‐T1 with a purity of 96.0% according to gas chromatography with mass spectrometry (GC/MS) analysis. Structural analysis by 1H nuclear magnetic resonance (NMR) spectroscopy and GC/MS of the γ‐T1 isolate confirmed the presence of a double bond in C‐11′‐position (11′‐γ‐tocomonoenol). In addition, CCC fractionation enabled the detection of 18 different tocochromanols, many of which were reported for the first time in PSO. This unmatched variety included among others α‐/γ‐tocopherol, α‐/γ‐tocomonoenol, two α‐ and two γ‐tocodienol isomers, α‐/γ‐tocotrienol as well as the rare 11′‐β‐tocomonoenol (β‐T1) and δ‐T1. Three uncommon tocochromanols were also detected whose origins and structure remained unclear.

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“…were analysed after trimethylsilylation by GC-FID as described before in detail 18 . Lipids were also analysed by GC-Q-TOF MS as described before 17 . In short, trimethylsilylated aliquots of the lipid extracts were analysed using a 7890/7200B GC-Q-TOF MS (Agilent, Santa Clara, CA, USA) and a 15 m, 0.25 mm i.d., 0.1 µm film thickness ZB-5HT Inferno column (Phenomenex, Torrence, CA, USA).…”

Section: Analysis Of Trimethylsilylated Lipid Extracts By Gc-fid and mentioning

confidence: 99%

“…Recently, we have used GC coupled to a high-resolution quadrupole-time-of-flight mass spectrometer (GC-Q-TOF MS) for the targeted analysis of cereal biomarkers in archaeological samples and for non-targeted lipid profiling of modern cereal lipids 17,18 . We have now transferred and optimised our non-targeted lipid analysis workflow for archaeological samples and want to use this to address common limitations of the current state of the art in archaeological lipid research.…”

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confidence: 99%

Digging deeper - A new data mining workflow for improved processing and interpretation of high resolution GC-Q-TOF MS data in archaeological research

Korf

Hammann

Schmid

et al. 2020

Sci Rep

Self Cite

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Gas chromatography-mass spectrometry profiling is the most established method for the analysis of organic residues, particularly lipids, from archaeological contexts. This technique allows the decryption of hidden chemical information associated with archaeological artefacts, such as ceramic pottery fragments. The molecular and isotopic compositions of such residues can be used to reconstruct past resource use, and hence address major questions relating to patterns of subsistence, diet and ritual practices in the past. A targeted data analysis approach, based on previous findings reported in the literature is common but greatly depends on the investigator's prior knowledge of specific compound classes and their mass spectrometric behaviour, and poses the risk of missing unknown, potentially diagnostic compounds. Organic residues from post-prehistoric archaeological samples often lead to highly complex chromatograms, which makes manual chromatogram inspection very tedious and time consuming, especially for large datasets. This poses a significant limitation regarding the scale and interpretative scopes of such projects. Therefore, we have developed a non-targeted data mining workflow to extract a higher number of known and unknown compounds from the raw data to reduce investigator's bias and to vastly accelerate overall analysis time. The workflow covers all steps from raw data handling, feature selection, and compound identification up to statistical interpretation.

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Lipid profiling and analytical discrimination of seven cereals using high temperature gas chromatography coupled to high resolution quadrupole time-of-flight mass spectrometry

Abstract: Lipid profiling and analytical discrimination of seven cereals using high temperature gas chromatography coupled to high resolution quadrupole time-of-flight mass spectrometry. Food Chemistry, 282, 27-35.

Cited by 42 publications

References 42 publications

Tetraploid Wheats: Valuable Source of Phytosterols and Phytostanols

Tetraploid Wheats: Valuable Source of Phytosterols and Phytostanols

Countercurrent chromatography isolation of 11′‐γ‐tocomonoenol from pumpkin seed oil with detection of novel minor tocochromanols

Digging deeper - A new data mining workflow for improved processing and interpretation of high resolution GC-Q-TOF MS data in archaeological research

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