Summary of Study ST003708

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR002302. The data can be accessed directly via it's Project DOI: 10.21228/M82R84 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST003708
Study TitlePhytochemical analysis of Quercus ilex nuts revealed high variability, nutritional and nutraceutical value.
Study TypeUntargeted metabolomics
Study SummaryIn recent years, new feeding systems based on non-conventional crops have been gaining in popularity. Holm oak is a non-domesticated forest species and very dominant in the Mediterranean Basin. Its fruit, the acorn, is under study due to its high nutritional and nutraceutical value. However, the Quercus ilex species presents a great natural variability, producing fruits with very different qualities. Therefore, in this work, 14 individuals distributed in different locations have been selected to characterise their metabolomic profile and to identify bioactive compounds of interest in different industries and compounds that have been previously associated with specific flavours. The acorns have not been previously classified as there are no specialised tasters. The results obtained may be of great value in laying the foundations for the nutritional potential of acorns and may be complemented by other chemical analyses and future studies looking for bittersweet acorns.
Institute
University of Cordoba
DepartmentDepartment of Biochemistry and Molecular Biology
LaboratoryAGR-164
Last NameTienda
First NameMarta
AddressCampus de Rabanales, Edificio C6 Severo Ochoa, Ctra. Madrid, Km 396. 14071 Córdoba, Spain
Emailb72tipam@uco.es
Phone+34 634925272
Submit Date2025-02-02
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailOther
Release Date2025-02-24
Release Version1
Marta Tienda Marta Tienda
https://dx.doi.org/10.21228/M82R84
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR002302
Project DOI:doi: 10.21228/M82R84
Project Title:Phytochemical analysis of Quercus ilex nuts revealed high variability, nutritional and nutraceutical value.
Project Type:Untargeted Metabolomics Analysis
Project Summary:14 acorn flours from different individuals of holm oak have been analysed to characterise the variability of the phytochemical profile of the fruit.
Institute:University of Cordoba
Department:Department of Biochemistry and Molecular Biology
Laboratory:AGR-164
Last Name:Tienda
First Name:Marta
Address:Campus de Rabanales, Edificio C6 Severo Ochoa, Ctra. Madrid, Km 396. 14071 Córdoba, Spain
Email:b72tipam@uco.es
Phone:+34 634925272

Subject:

Subject ID:SU003840
Subject Type:Plant
Subject Species:Quercus ilex
Taxonomy ID:58334

Factors:

Subject type: Plant; Subject species: Quercus ilex (Factor headings shown in green)

mb_sample_id local_sample_id Factor
SA405952Individual1-rep1_pos_TOP5Individual_1
SA405953Individual1-rep3_neg_TOP5Individual_1
SA405954Individual1-rep3_negIndividual_1
SA405955Individual1-rep2_neg_TOP5Individual_1
SA405956Individual1-rep2_negIndividual_1
SA405957Individual1-rep1_neg_TOP5Individual_1
SA405958Individual1-rep1_posIndividual_1
SA405959Individual1-rep1_negIndividual_1
SA405960Individual1-rep3_pos_TOP5Individual_1
SA405961Individual1-rep2_posIndividual_1
SA405962Individual1-rep3_posIndividual_1
SA405963Individual1-rep2_pos_TOP5Individual_1
SA405964Individual10-rep3_pos_TOP5Individual_10
SA405965Individual10-rep2_neg_TOP5Individual_10
SA405966Individual10-rep3_neg_TOP5Individual_10
SA405967Individual10-rep2_negIndividual_10
SA405968Individual10-rep1_neg_TOP5Individual_10
SA405969Individual10-rep1_negIndividual_10
SA405970Individual10-rep3_negIndividual_10
SA405971Individual10-rep1_posIndividual_10
SA405972Individual10-rep1_pos_TOP5Individual_10
SA405973Individual10-rep2_posIndividual_10
SA405974Individual10-rep2_pos_TOP5Individual_10
SA405975Individual10-rep3_posIndividual_10
SA405976Individual11-rep1_negIndividual_11
SA405977Individual11-rep1_neg_TOP5Individual_11
SA405978Individual11-rep2_neg_TOP5Individual_11
SA405979Individual11-rep3_negIndividual_11
SA405980Individual11-rep3_pos_TOP5Individual_11
SA405981Individual11-rep3_posIndividual_11
SA405982Individual11-rep2_posIndividual_11
SA405983Individual11-rep1_pos_TOP5Individual_11
SA405984Individual11-rep1_posIndividual_11
SA405985Individual11-rep3_neg_TOP5Individual_11
SA405986Individual11-rep2_negIndividual_11
SA405987Individual11-rep2_pos_TOP5Individual_11
SA405988Individual12-rep1_neg_TOP5Individual_12
SA405989Individual12-rep1_pos_TOP5Individual_12
SA405990Individual12-rep2_posIndividual_12
SA405991Individual12-rep2_pos_TOP5Individual_12
SA405992Individual12-rep3_posIndividual_12
SA405993Individual12-rep3_pos_TOP5Individual_12
SA405994Individual12-rep1_negIndividual_12
SA405995Individual12-rep3_neg_TOP5Individual_12
SA405996Individual12-rep2_negIndividual_12
SA405997Individual12-rep1_posIndividual_12
SA405998Individual12-rep2_neg_TOP5Individual_12
SA405999Individual12-rep3_negIndividual_12
SA406000Individual13-rep1_pos_TOP5Individual_13
SA406001Individual13-rep2_negIndividual_13
SA406002Individual13-rep1_posIndividual_13
SA406003Individual13-rep1_neg_TOP5Individual_13
SA406004Individual13-rep2_posIndividual_13
SA406005Individual13-rep1_negIndividual_13
SA406006Individual13-rep3_pos_TOP5Individual_13
SA406007Individual13-rep3_neg_TOP5Individual_13
SA406008Individual13-rep3_posIndividual_13
SA406009Individual13-rep3_negIndividual_13
SA406010Individual13-rep2_neg_TOP5Individual_13
SA406011Individual13-rep2_pos_TOP5Individual_13
SA406012Individual14-rep1_posIndividual_14
SA406013Individual14-rep1_pos_TOP5Individual_14
SA406014Individual14-rep2_posIndividual_14
SA406015Individual14-rep2_pos_TOP5Individual_14
SA406016Individual14-rep3_posIndividual_14
SA406017Individual14-rep3_pos_TOP5Individual_14
SA406018Individual14-rep3_neg_TOP5Individual_14
SA406019Individual14-rep3_negIndividual_14
SA406020Individual14-rep2_neg_TOP5Individual_14
SA406021Individual14-rep2_negIndividual_14
SA406022Individual14-rep1_neg_TOP5Individual_14
SA406023Individual14-rep1_negIndividual_14
SA406024Individual2-rep1_posIndividual_2
SA406025Individual2-rep1_pos_TOP5Individual_2
SA406026Individual2-rep3_neg_TOP5Individual_2
SA406027Individual2-rep3_pos_TOP5Individual_2
SA406028Individual2-rep3_negIndividual_2
SA406029Individual2-rep2_neg_TOP5Individual_2
SA406030Individual2-rep2_negIndividual_2
SA406031Individual2-rep1_negIndividual_2
SA406032Individual2-rep3_posIndividual_2
SA406033Individual2-rep2_pos_TOP5Individual_2
SA406034Individual2-rep2_posIndividual_2
SA406035Individual2-rep1_neg_TOP5Individual_2
SA406036Individual3-rep1_pos_TOP5Individual_3
SA406037Individual3-rep1_posIndividual_3
SA406038Individual3-rep3_negIndividual_3
SA406039Individual3-rep2_neg_TOP5Individual_3
SA406040Individual3-rep2_negIndividual_3
SA406041Individual3-rep1_neg_TOP5Individual_3
SA406042Individual3-rep1_negIndividual_3
SA406043Individual3-rep2_posIndividual_3
SA406044Individual3-rep3_neg_TOP5Individual_3
SA406045Individual3-rep2_pos_TOP5Individual_3
SA406046Individual3-rep3_posIndividual_3
SA406047Individual3-rep3_pos_TOP5Individual_3
SA406048Individual4-rep3_posIndividual_4
SA406049Individual4-rep1_posIndividual_4
SA406050Individual4-rep3_neg_TOP5Individual_4
SA406051Individual4-rep3_pos_TOP5Individual_4
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Collection:

Collection ID:CO003833
Collection Summary:Acorns from fourteen different individuals of holm oak were harvested at maturity stage during the 2022 – 2023 season (Supplementary Table 1). Undamaged acorns were bleach disinfected, abundantly washed with tap water, and stored in the dark at 4 °C (Bonner, F. T. (1987). Seed biology and technology of Quercus (Vol. 66). US Department of Agriculture, Forest Service, Southern Forest Experiment Station. Simova-Stoilova, L. P., et al (2015). 2-DE proteomics analysis of drought treated seedlings of Quercus ilex supports a root active strategy for metabolic adaptation in response to water shortage. Frontiers in plant science, 6, 627.; López-Hidalgo, C., et al (2021)). Phytochemical composition and variability in Quercus ilex acorn morphotypes as determined by NIRS and MS-based approaches. Food chemistry, 338, 12780) until flour preparation. Acorns were classified into three levels of bitterness (low, medium and high) according to the guidelines provided by the local people who supplied the samples
Sample Type:Fruit

Treatment:

Treatment ID:TR003849
Treatment Summary:No special treatment was employed. Fruits were processed into flour by grinding in liquid nitrogen.

Sample Preparation:

Sampleprep ID:SP003846
Sampleprep Summary:Metabolites were extracted from freeze-dried leaf powder. Briefly, a buffer containing 1200 μL of cold ethanol: water (50:50) was added to 30 mg of flour, tissue disruption was driven by maceration with pistil, vortexed (10 s) and sonicated (ultrasonic bath, 40 kHZ for 10 min). After centrifugation (16,000×g, 4°C, 6 min) the supernatant was vacuum dried at 30 °C (Speedvac, Eppendorf Vacuum Concentrator Plus/5301, Eppendorf, Leicestershire, UK).

Chromatography:

Chromatography ID:CH004619
Chromatography Summary:Chromatographic separation was carried out using an Acquity UPLC BEH C18 column (2.1 x 100 mm, 1.7 µm) (Waters, Manchester, U.K.) maintaining it at 40 °C. The injection volume was 5 µl and the flow rate was set at 0.5 mL/min. Mobile phases consisted of 0.1% formic acid in water (Eluent A) and 0.1% formic acid in methanol (Eluen B). Elution conditions were as follows: 5% B for 1 min, linear gradient from 5% to 100% in solvent B for 9 min, isocratic at 100% B for 2 min, and return to initial conditions, 5% B for 3 min.
Instrument Name:Waters Acquity
Column Name:Waters ACQUITY UPLC BEH C8 (100 x 2.1mm,1.7um)
Column Temperature:40
Flow Gradient:5% B for 1 min, linear gradient from 5% to 100% in solvent B for 9 min, isocratic at 100% B for 2 min, and return to initial conditions, 5% B for 3 min.
Flow Rate:0.5 mL/min
Solvent A:100% water; 0.1% formic acid
Solvent B:100% methanol; 0.1% formic acid
Chromatography Type:Reversed phase

Analysis:

Analysis ID:AN006083
Analysis Type:MS
Chromatography ID:CH004619
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST003708_AN006083_Results.txt
Units:Peak area
  
Analysis ID:AN006084
Analysis Type:MS
Chromatography ID:CH004619
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST003708_AN006084_Results.txt
Units:Peak area
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