Summary of Study ST001056

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 PR000709. The data can be accessed directly via it's Project DOI: 10.21228/M81M4X This work is supported by NIH grant, U2C- DK119886.

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

Perform statistical analysis  |  Show all samples  |  Show named metabolites  |  Download named metabolite data  
Download mwTab file (text)   |  Download mwTab file(JSON)   |  Download data files (Contains raw data)
Study IDST001056
Study TitleEvaluation of the short-term effects of the allelochemical umbelliferone on Triticum durum L. metabolism through GC-MS based untargeted metabolomics
Study SummaryAllelopathy is a plant defense mechanism by which they protect themselves from competitive species using specialized biochemicals in the form of secretion or volatiles released to the environment. Though, umbelliferone is a well-known allelochemical, its mechanism of action in a short-term treatment is far from established. We used ≈ 10–days old wheat seedlings treated with104 µM umbelliferone over a time course experiment covering 6 times points, i.e., 0h, 6h, 12h, 24h, 48h, and 96h and compared the metabolomic changes to control (mock-treated) plants. Using gas chromatography mass-spectrometry (GC-MS) based metabolomics efforts, we collectively obtained quantitative data on 177 metabolites that were derivatized (either derivatized singly or multiple times) or not representing 139 non-redundant (unique) metabolites. Out of these 139 metabolites, 118 were associated with a unique HMDB identifier, while 113 were associated with a KEGG identifier. Relative quantification of these metabolites across the time-course of umbelliferone treatment, revealed 22 compounds (sugars, fatty acids, secondary metabolites, organic acids, and amino acids) that changed significantly (repeated measures ANOVA, P-value < 0.05) with time. Using multivariate partial least squares discriminant analysis (PLS-DA) we showed the grouping of samples based on time-course across the control and umbelliferone treated plants, whereas the metabolite-metabolite Pearson correlation revealed tightly formed clusters of umbelliferone-derived metabolites, fatty acids, amino acids, and carbohydrates. Also, time-course of umbelliferone treatment revealed, that phospho-L-serine, maltose, and dehydroquinic acid were the top three metabolites showing highest importance in discrimination among the time-points. The above indicate a system-wide changes induced by umbelliferone, through dysregulation of primary as well as specialized metabolism.
Institute
Università Mediterranea di Reggio Calabria
DepartmentDipartimento AGRARIA
Last NameAraniti
First NameFabrizio
AddressDepartment AGRARIA, University Mediterranea of Reggio Calabria, Località Feo di Vito, SNC I-89124, Reggio Calabria RC, Italy
Emailfabrizio.araniti@unirc.it
Phone+39-09651694283
Submit Date2018-09-12
Num Groups3
PublicationsIn process
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailGC-MS
Release Date2020-01-13
Release Version1
Fabrizio Araniti Fabrizio Araniti
https://dx.doi.org/10.21228/M81M4X
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:


Combined analysis:

Analysis ID AN002145
Analysis type MS
Chromatography type GC
Chromatography system Trace GC 1310, Thermo Fisher Scientific
Column TG-5MS
MS Type EI
MS instrument type GC-ITQ
MS instrument name ISQ LT, Thermo Fisher Scientific
Ion Mode POSITIVE
Units Relative Abundance

Chromatography:

Chromatography ID:CH001570
Chromatography Summary:The derivatized extracts were injected into a TG-5MS capillary column (30 m x 0.25 mm x 0.25 µm) (Thermo Fisher Scientific, Waltham, MA, USA) using a gas chromatograph apparatus (Trace GC 1310, Thermo Fisher Scientific, Waltham, MA, USA) equipped with a single quadrupole mass spectrometer (ISQ LT, Thermo Fisher Scientific, Waltham, Massachusetts, US). Injector and source were set at 250°C and 260°C temperature, respectively. One µl of sample was injected in splitless mode with a helium flow of 1 ml/min using the following programmed temperature: isothermal 5 min at 70 °C followed by a 5°C/ min ramp to 350 °C and a final 5 min heating at 330°C.
Methods ID:NA
Instrument Name:Trace GC 1310, Thermo Fisher Scientific
Column Name:TG-5MS
Column Temperature:programmed temperature: isothermal 5 min at 70 °C followed by a 5°C/ min ramp to 350 °C and a final 5 min heating at 330°C
Flow Rate:1 ml/min
Injection Temperature:250
Internal Standard:Adonitol (0.0002mg/ml of pure water) 60 μL per sample
Retention Index:Alkanes mixture C10-C40
Retention Time:Alkanes mixture C10-C40
Oven Temperature:programmed temperature: isothermal 5 min at 70 °C followed by a 5°C/ min ramp to 350 °C and a final 5 min heating at 330°C
Transferline Temperature:250
Sample Syringe Size:10 μL
Randomization Order:YES
Chromatography Type:GC
  logo