Metabolomics Workshop Schedule

Preliminary Schedule (all times are Eastern time zone)

Monday, July 15

Topic: Introduction to the Network for Advanced NMR (NAN)

12-1 pm: Art Edison overview lecture

1-2 pm: NAN staff to provide demos of key capabilities

2-4 pm: Hands on with NAN staff supervision

Learning Objectives:

  • Discover both experimental and computational resources available through NAN
  • Learn how to remotely login to a NAN NMR spectrometer
  • Learn where your NAN NMR data are located after your experiment
  • Learn how to access your NAN data within the NMRbox environment

Tuesday, July 16

Topic: Introduction to NMR and Metabolomics

12-1 pm: Edison overview lecture

1-2 pm: CCRC NMR facility staff to provide demos spectrometer operation

2-4 pm: Participants take turns remotely operating CCRC NMR facility instruments

Learning Objectives:

  • Understand what NMR can contribute to metabolomics research (basic level)
  • Learn the steps necessary to collect solution NMR data on small molecules
  • Run some experiments with staff supervision to learn how the spectrometer works.

Wednesday, July 17

Topic: Spectral Automated NMR Decomposition (SAND)

12-1 pm: Frank Delaglio overview lecture

1-2 pm: Delaglio and Edison lab students demonstrate running SAND in NMRbox

2-4 pm: Participants perform SAND on their own data or workshop data in NMRbox

Learning Objectives:

  • Learn why SAND is a good alternative to 1D Fourier Transform
  • Learn how to SAND 1D NMR data
  • Discover visualization tools that allow you to compare FT and SAND data.
  • Learn how SAND can be implemented into a metabolomics study

Thursday, July 18

Topic: Metabolite Fraction Libraries

12-1 pm: Edison overview lecture

1-2:30 pm: Edison lab students demonstrate collection and processing of fraction libraries and the application of saturation transfer difference (STD) NMR to test for macromolecular binding.

2:30-4 pm: Participants process and analyze fraction library NMR data on NMRbox.

Learning Objectives:

  • Learn the benefits of HPLC separation to make a fraction library
  • Discover software to help process and analyze fraction library data
  • Learn different approaches to annotate and ID metabolites from fraction libraries

Friday, July 19

Topic: 13C NMR for metabolomics

12-1 pm: Edison overview lecture

1-2 pm: CCRC NMR facility staff demonstrate collection of 13C NMR data and students demonstrate analysis software

2-4 pm: Participants collect 13C NMR data and analyze INADEQUATE data using pyINETA on NMRbox.

Learning Objectives:

  • Discover the advantages and challenges of 13C NMR for metabolomics applications
  • Understand the necessary NMR hardware to conduct 13C NMR metabolomics experiments.

Learn how to analyze and database match INADEQUATE data using a python software package.