Phase modulated 2D HSQC-TOCSY for unambiguous assignment of overlapping spin systems

Amrinder Singh, Abhinav Dubey, Satish K. Adiga, Hanudatta S. Atreya

Research output: Contribution to journalArticle

Abstract

We present a new method that allows one to unambiguously resolve overlapping spin systems often encountered in biomolecular systems such as peptides and proteins or in samples containing a mixture of different molecules such as in metabolomics. We address this problem using the recently proposed phase modulation approach. By evolving the 1H chemical shifts in a conventional two dimensional (2D) HSQC-TOCSY experiment for a fixed delay period, the phase/intensity of set of cross peaks belonging to one spin system are modulated differentially relative to those of its overlapping counterpart, resulting in their discrimination and recognition. The method thus accelerates the process of identification and resonance assignment of individual compounds in complex mixtures. This approach facilitated the assignment of molecules in the embryo culture medium used in human assisted reproductive technology.

Original languageEnglish
Pages (from-to)10-16
Number of pages7
JournalJournal of Magnetic Resonance
Volume286
DOIs
Publication statusPublished - 01-01-2018

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culture media
Assisted Reproductive Techniques
Molecules
Metabolomics
embryos
Phase modulation
Chemical shift
Complex Mixtures
phase modulation
peptides
chemical equilibrium
Culture Media
discrimination
molecules
Embryonic Structures
proteins
Peptides
Proteins
Experiments

All Science Journal Classification (ASJC) codes

  • Biophysics
  • Biochemistry
  • Nuclear and High Energy Physics
  • Condensed Matter Physics

Cite this

Singh, Amrinder ; Dubey, Abhinav ; Adiga, Satish K. ; Atreya, Hanudatta S. / Phase modulated 2D HSQC-TOCSY for unambiguous assignment of overlapping spin systems. In: Journal of Magnetic Resonance. 2018 ; Vol. 286. pp. 10-16.
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Phase modulated 2D HSQC-TOCSY for unambiguous assignment of overlapping spin systems. / Singh, Amrinder; Dubey, Abhinav; Adiga, Satish K.; Atreya, Hanudatta S.

In: Journal of Magnetic Resonance, Vol. 286, 01.01.2018, p. 10-16.

Research output: Contribution to journalArticle

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