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Comparative Metabolite Profiling and Fingerprinting of Mature and Immature Grains of Different Species using a Multiplex Approach of LC-MS and GC-MS Coupled to Chemometrics
The objective of the current study was the assessment of heterogeneity amongst metabolites of 5 cereal and leguminous grains of different species, and cultivars i.e., Triticum aestivum L., Hordeum vulgare L., Vicia faba L. & Cicer arietinum L. at different maturity stages. Gas chromatography mass-sp...
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2023
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| _version_ | 1867613421938147328 |
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| access_status_str | Open Access |
| author | Saied, Doaa Bahaa Abdelhalim |
| author_browse | Saied, Doaa Bahaa Abdelhalim |
| author_facet | Saied, Doaa Bahaa Abdelhalim |
| author_sort | Saied, Doaa Bahaa Abdelhalim |
| collection | Thesis |
| description | The objective of the current study was the assessment of heterogeneity amongst metabolites of 5 cereal and leguminous grains of different species, and cultivars i.e., Triticum aestivum L., Hordeum vulgare L., Vicia faba L. & Cicer arietinum L. at different maturity stages. Gas chromatography mass-spectrometry (GC-MS) post silylation technique was employed for nutrients profiling. A total of 70 peaks belonging to sugars, fatty acids/esters/steroids and organic acids were identified including sucrose, melibiose, glucose and fructose as major sugars, butyl caprylate, hydroxybutanoic acid and malic acid to contribute for the discrimination between grain species and different maturity stages. Ultra-performance liquid chromatography tandem mass- spectrometry (UPLC-MS/MS) was further applied for secondary metabolites’ profiling. A total of 147 peaks were annotated from various classes viz. sugars, oxylipids, flavonoids, amino acids/peptides, terpenoids, and alkaloids. Datasets from both techniques were coupled to chemometric analysis for better processing and identification of markers. Molecular networking was applied in UPLC-MS dataset for better visualization and cluster segregation. DPPH and FRAP assays were attempted to correlate antioxidant results to secondary metabolites’ variation upon maturation. |
| format | Thesis |
| id | oai:fount.aucegypt.edu:etds-3011 |
| institution | American University in Cairo (Egypt) |
| last_indexed | 2026-06-10T12:35:53.165Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from AUC Knowledge Fountain — bepress |
| publishDate | 2023 |
| publishDateRange | 2023 |
| publishDateSort | 2023 |
| publisher | AUC Knowledge Fountain |
| publisherStr | AUC Knowledge Fountain |
| record_format | dspace |
| source_str | AUC Knowledge Fountain — bepress |
| spelling | oai:fount.aucegypt.edu:etds-3011 Comparative Metabolite Profiling and Fingerprinting of Mature and Immature Grains of Different Species using a Multiplex Approach of LC-MS and GC-MS Coupled to Chemometrics Saied, Doaa Bahaa Abdelhalim The objective of the current study was the assessment of heterogeneity amongst metabolites of 5 cereal and leguminous grains of different species, and cultivars i.e., Triticum aestivum L., Hordeum vulgare L., Vicia faba L. & Cicer arietinum L. at different maturity stages. Gas chromatography mass-spectrometry (GC-MS) post silylation technique was employed for nutrients profiling. A total of 70 peaks belonging to sugars, fatty acids/esters/steroids and organic acids were identified including sucrose, melibiose, glucose and fructose as major sugars, butyl caprylate, hydroxybutanoic acid and malic acid to contribute for the discrimination between grain species and different maturity stages. Ultra-performance liquid chromatography tandem mass- spectrometry (UPLC-MS/MS) was further applied for secondary metabolites’ profiling. A total of 147 peaks were annotated from various classes viz. sugars, oxylipids, flavonoids, amino acids/peptides, terpenoids, and alkaloids. Datasets from both techniques were coupled to chemometric analysis for better processing and identification of markers. Molecular networking was applied in UPLC-MS dataset for better visualization and cluster segregation. DPPH and FRAP assays were attempted to correlate antioxidant results to secondary metabolites’ variation upon maturation. 2023-01-15T08:00:00Z thesis application/pdf https://fount.aucegypt.edu/etds/1978 https://fount.aucegypt.edu/context/etds/article/3011/viewcontent/auto_convert.pdf Theses and Dissertations AUC Knowledge Fountain Seeds; maturation; GC-MS; UPLC-MS; chemometrics; antioxidant; ripening stage Food Chemistry Food Science Nutrition Plant Sciences |
| spellingShingle | Seeds; maturation; GC-MS; UPLC-MS; chemometrics; antioxidant; ripening stage Food Chemistry Food Science Nutrition Plant Sciences Saied, Doaa Bahaa Abdelhalim Comparative Metabolite Profiling and Fingerprinting of Mature and Immature Grains of Different Species using a Multiplex Approach of LC-MS and GC-MS Coupled to Chemometrics |
| title | Comparative Metabolite Profiling and Fingerprinting of Mature and Immature Grains of Different Species using a Multiplex Approach of LC-MS and GC-MS Coupled to Chemometrics |
| title_full | Comparative Metabolite Profiling and Fingerprinting of Mature and Immature Grains of Different Species using a Multiplex Approach of LC-MS and GC-MS Coupled to Chemometrics |
| title_fullStr | Comparative Metabolite Profiling and Fingerprinting of Mature and Immature Grains of Different Species using a Multiplex Approach of LC-MS and GC-MS Coupled to Chemometrics |
| title_full_unstemmed | Comparative Metabolite Profiling and Fingerprinting of Mature and Immature Grains of Different Species using a Multiplex Approach of LC-MS and GC-MS Coupled to Chemometrics |
| title_short | Comparative Metabolite Profiling and Fingerprinting of Mature and Immature Grains of Different Species using a Multiplex Approach of LC-MS and GC-MS Coupled to Chemometrics |
| title_sort | comparative metabolite profiling and fingerprinting of mature and immature grains of different species using a multiplex approach of lc ms and gc ms coupled to chemometrics |
| topic | Seeds; maturation; GC-MS; UPLC-MS; chemometrics; antioxidant; ripening stage Food Chemistry Food Science Nutrition Plant Sciences |
| url | https://fount.aucegypt.edu/etds/1978 https://fount.aucegypt.edu/context/etds/article/3011/viewcontent/auto_convert.pdf |
| work_keys_str_mv | AT saieddoaabahaaabdelhalim comparativemetaboliteprofilingandfingerprintingofmatureandimmaturegrainsofdifferentspeciesusingamultiplexapproachoflcmsandgcmscoupledtochemometrics |