Abstract
Beyond the main bulk components of cereals such as the polysaccharides and proteins, lower concentration secondary metabolites largely contribute to the nutritional value. This paper outlines a comprehensive protocol for GC-MS metabolomic profiling of phenolics and organic acids in grains, the performance of which is demonstrated through a comparison of the metabolite profiles of the main northern European cereal crops: wheat, barley, oat and rye. Phenolics and organic acids were extracted using acidic hydrolysis, trimethylsilylated using a new method based on trimethylsilyl cyanide and analyzed by GC-MS. In order to extract pure metabolite peaks, the raw chromatographic data were processed by a multi-way decomposition method, Parallel Factor Analysis 2. This approach lead to the semi-quantitative detection of a total of 247 analytes, out of which 89 were identified based on RI and EI-MS library match. The cereal metabolome included 32 phenolics, 30 organic acids, 10 fatty acids, 11 carbohydrates and 6 sterols. The metabolome of the four cereals were compared in detail, including low concentration phenolics and organic acids. Rye and oat displayed higher total concentration of phenolic acids, but ferulic, caffeic and sinapinic acids and their esters were found to be the main phenolics in all four cereals. Compared to the previously reported methods, the outlined protocol provided an efficient and high throughput analysis of the cereal metabolome and the acidic hydrolysis improved the detection of conjugated phenolics.
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Claims 12
Claim · model-written summary
The method detected 247 analytes semi-quantitatively.
Not reportedTaxonDirection
Verbatim
e0“This approach lead to the semi-quantitative detection of a total of 247 analytes, out of which 89 were identified based on RI and EI-MS library match.”
Claim · model-written summary
The method identified 89 analytes by RI and EI-MS library matching.
Not reportedTaxon
Verbatim
e0“This approach lead to the semi-quantitative detection of a total of 247 analytes, out of which 89 were identified based on RI and EI-MS library match.”
Claim · model-written summary
The cereal metabolome included 32 phenolics.
- Taxon
- wheat, barley, oat and rye
.jpg?width=60)
Hordeum vulgare
Secale cereale
Triticum aestivum
Avena sativae1 - Outcome
- phenolicse0
- Value
- 32e0
Not reportedDirection
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
.jpg?width=500)
Verbatim
e0“The cereal metabolome included 32 phenolics, 30 organic acids, 10 fatty acids, 11 carbohydrates and 6 sterols.”
e1“wheat, barley, oat and rye”
Claim · model-written summary
The cereal metabolome included 30 organic acids.
- Taxon
- wheat, barley, oat and ryeHordeum vulgareSecale cerealeTriticum aestivumAvena sativae1
- Outcome
- organic acidse0
- Value
- 30e0
Not reportedDirection
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“The cereal metabolome included 32 phenolics, 30 organic acids, 10 fatty acids, 11 carbohydrates and 6 sterols.”
e1“wheat, barley, oat and rye”
Claim · model-written summary
The cereal metabolome included 10 fatty acids.
- Taxon
- wheat, barley, oat and ryeHordeum vulgareSecale cerealeTriticum aestivumAvena sativae1
- Outcome
- fatty acidse0
- Value
- 10e0
Not reportedDirection
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“The cereal metabolome included 32 phenolics, 30 organic acids, 10 fatty acids, 11 carbohydrates and 6 sterols.”
e1“wheat, barley, oat and rye”
Claim · model-written summary
The cereal metabolome included 11 carbohydrates.
- Taxon
- wheat, barley, oat and ryeHordeum vulgareSecale cerealeTriticum aestivumAvena sativae1
- Outcome
- carbohydratese0
- Value
- 11e0
Not reportedDirection
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“The cereal metabolome included 32 phenolics, 30 organic acids, 10 fatty acids, 11 carbohydrates and 6 sterols.”
e1“wheat, barley, oat and rye”
Claim · model-written summary
The cereal metabolome included 6 sterols.
- Taxon
- wheat, barley, oat and ryeHordeum vulgareSecale cerealeTriticum aestivumAvena sativae1
- Outcome
- sterolse0
- Value
- 6e0
Not reportedDirection
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“The cereal metabolome included 32 phenolics, 30 organic acids, 10 fatty acids, 11 carbohydrates and 6 sterols.”
e1“wheat, barley, oat and rye”
Claim · model-written summary
Rye had higher total phenolic acid concentration.
- Taxon
- RyeSecale cerealee0
- Outcome
- total concentration of phenolic acidse0
- Direction
- highere0
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“Rye and oat displayed higher total concentration of phenolic acids”
Claim · model-written summary
Oat had higher total phenolic acid concentration.
- Taxon
- oatAvena sativae0
- Outcome
- total concentration of phenolic acidse0
- Direction
- highere0
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“Rye and oat displayed higher total concentration of phenolic acids”
Claim · model-written summary
Ferulic, caffeic and sinapinic acids and their esters were the main phenolics in all four cereals.
- Taxon
- wheat, barley, oat and ryeHordeum vulgareSecale cerealeTriticum aestivumAvena sativae1
- Outcome
- ferulic, caffeic and sinapinic acids and their esterse0
- Qualifier
- main phenolicse0
Organisms pictured · Representative pictures of the matched species, not figures from the paper.
Verbatim
e0“ferulic, caffeic and sinapinic acids and their esters were found to be the main phenolics in all four cereals”
e1“wheat, barley, oat and rye”
Claim · model-written summary
The protocol provided efficient high-throughput cereal metabolome analysis relative to prior methods.
Not reportedTaxon
Verbatim
e0“Compared to the previously reported methods, the outlined protocol provided an efficient and high throughput analysis of the cereal metabolome”
Claim · model-written summary
Acidic hydrolysis improved conjugated phenolic detection.
Not reportedTaxonComparator
Verbatim
e0“the acidic hydrolysis improved the detection of conjugated phenolics”