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Printable Handouts
Navigable Slide Index
- Introduction
- Outline
- History of metabolomics
- Definition of metabolomics
- NMR: repeatable
- NMR: quantitative
- NMR: structural elucidation
- Samples
- Sample extraction
- NMR: screening tool
- NMR: how does it work?
- NMR equipment
- Acquiring an NMR spectrum
- Processing of an NMR spectrum
- Data processing
- Data processing: bucketing (1)
- Data processing: bucketing (2)
- Data analysis: multivariate analysis and PCA
- Data analysis: univariate analysis
- Metabolites detected
- Typical 1H NMR spectrum
- List of metabolites
- Metabolite identification relies on expertise
- Metabolite identification
- In-house built databases
- Literature: metabolites indexed in a table
- Metabolite identification: example
- Spiking experiment for assigning a metabolite
- HSQC cell line extract
- Human metabolome database
- Metabolite identification: adenosine or inosine
- 2D COSY NMR spectrum: mouse small intestine
- 2D HSQC NMR spectrum of a mouse colon tissue
- Metabolite profiling of obese mice: case study
- Results (1)
- Results (2)
- Results (3)
- Summary
- Last words
Topics Covered
- Historic and description of NMR metabolomics
- Samples and principle of NMR
- Equipment and recording of NMR spectra
- Data processing and data analysis
- Metabolite identification
- Metabolite profiling of obese mice: case study
Links
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Therapeutic Areas:
Talk Citation
Le Gall, G. (2023, July 11). NMR workflow from data processing to metabolite identification [Video file]. In The Biomedical & Life Sciences Collection, Henry Stewart Talks. Retrieved November 21, 2024, from https://doi.org/10.69645/VXXI5331.Export Citation (RIS)
Publication History
Financial Disclosures
- Dr. Gwénaëlle Le Gall has not informed HSTalks of any commercial/financial relationship that it is appropriate to disclose.
Other Talks in the Series: Bioinformatics for Metabolomics
Transcript
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0:00
Hi, my name is Gwénaëlle Le Gall.
I lead the Metabolite Unit at the Institute of Food Research in Norwich.
The institute will change its name on April 28, 2017
and will be called the Quadram Institute.
The new center will focus on researching and developing solutions to
worldwide challenges in human health, food, and disease.
My role in the unit is to provide expertise and perform
metabolomic analysis on mammalian fluids and tissue,
cell culture, food, and plant extract.
My aim with this talk is to give an overview on nuclear magnetic resonance,
NMR applied to metabolomics.
I hope that by the end of my presentation,
you will feel a bit more acquainted with NMR and the profiling of metabolites.
I would like to give you insights into the application of NMR and convince you
that NMR is a fantastic tool to study central metabolism.
0:51
I will introduce you to the concept of metabolomics,
describe how to prepare a sample,
provide a description of the principle of NMR, and how to use the technique.
In my opinion, one of the challenges, possibly the biggest,
is to identify the chemical compounds or
metabolites that give rise to the signals detected.
Identifying new metabolites can be a long iterative and often tedious process,
that does not necessarily yield a result.
Some of the unknown compounds remain unknown for years,
until you or someone
assigns the signals and reports them in the literature.
Conversely, with the increasing number of
papers published and the constant refinement of the databases,
identification can sometimes be quicker and straightforward.
Although not easy at first,
assigning signals to metabolites becomes easier with practice.
And some compounds are detected in most samples,
amino or organic acids for example.
With experience, it makes the task more routine.
I will describe the approaches used to identify metabolites in
NMR spectra and finish with an example of a real situation.