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SOFAST-HMQC-an efficient tool for metabolomics.

Soumita Ghosh1, Arjun Sengupta1, Kousik Chandra2

  • 1Department of Systems Pharmacology and Systems and Translational Therapeutics, University of Pennsylvania Perelman School of Medicine, 421 Curie Blvd., Philadelphia, PA, 19104-6160, USA.

Analytical and Bioanalytical Chemistry
|October 15, 2017
PubMed
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Nuclear magnetic resonance (NMR)-based metabolomics can be accelerated using a novel 2D NMR technique. This method significantly reduces experimental time for analyzing complex biofluids in high-throughput studies.

Area of Science:

  • Analytical Chemistry
  • Biochemistry
  • Spectroscopy

Background:

  • 1D NMR in metabolomics suffers from signal overlap.
  • 2D 1H-13C correlation spectroscopy overcomes overlap but has long acquisition times.
  • Conventional 2D NMR is unsuitable for high-throughput studies due to lengthy experiments.

Purpose of the Study:

  • To develop a faster 2D NMR technique for high-throughput metabolomics.
  • To apply and validate the SOFAST-HMQC technique with NUS in complex biofluids.

Main Methods:

  • Utilized selective optimized flip angle short transient (SOFAST) coupled to heteronuclear multiple quantum correlation (HMQC).
  • Incorporated nonlinear sampling (NUS) to further reduce acquisition time.
  • Applied the technique to analyze urine and serum samples.
Keywords:
NMRSOFAST-HMQCSerumUrine

Related Experiment Videos

Main Results:

  • The SOFAST-HMQC with NUS technique reduced experimental time sevenfold compared to conventional 1H-13C HSQC.
  • Almost all molecular information was retained despite the reduced acquisition time.
  • The technique demonstrated suitability for high-throughput metabolomics of complex biofluids.

Conclusions:

  • SOFAST-HMQC with NUS is an efficient 2D NMR technique for high-throughput metabolomics.
  • This method significantly decreases experimental time without compromising data quality.
  • It offers a promising alternative to conventional 2D NMR for analyzing biofluid samples.