A Fast NMR Method for Resonance Assignments: Application to Metabolomics

Overview

Journal J Biomol NMR

Publisher Springer

Specialties Molecular Biology
Nuclear Medicine

Date 2014 Feb 4

PMID 24488481

Citations 11

Authors

Shivanand M Pudakalakatti

Abhinav Dubey

Garima Jaipuria

U Shubhashree

Satish Kumar Adiga

Detlef Moskau

Hanudatta S Atreya

Affiliations

Soon will be listed here.

Abstract

We present a new method for rapid NMR data acquisition and assignments applicable to unlabeled ((12)C) or (13)C-labeled biomolecules/organic molecules in general and metabolomics in particular. The method involves the acquisition of three two dimensional (2D) NMR spectra simultaneously using a dual receiver system. The three spectra, namely: (1) G-matrix Fourier transform (GFT) (3,2)D [(13)C, (1)H] HSQC-TOCSY, (2) 2D (1)H-(1)H TOCSY and (3) 2D (13)C-(1)H HETCOR are acquired in a single experiment and provide mutually complementary information to completely assign individual metabolites in a mixture. The GFT (3,2)D [(13)C, (1)H] HSQC-TOCSY provides 3D correlations in a reduced dimensionality manner facilitating high resolution and unambiguous assignments. The experiments were applied for complete (1)H and (13)C assignments of a mixture of 21 unlabeled metabolites corresponding to a medium used in assisted reproductive technology. Taken together, the experiments provide time gain of order of magnitudes compared to the conventional data acquisition methods and can be combined with other fast NMR techniques such as non-uniform sampling and covariance spectroscopy. This provides new avenues for using multiple receivers and projection NMR techniques for high-throughput approaches in metabolomics.

Citing Articles

The utility of nuclear magnetic resonance spectroscopy in assisted reproduction.

Asampille G, Cheredath A, Joseph D, Adiga S, Atreya H Open Biol. 2020; 10(11):200092.

PMID: 33142083 PMC: 7729034. DOI: 10.1098/rsob.200092.

NMR and MS-based Stable Isotope-Resolved Metabolomics and Applications in Cancer Metabolism.

Lane A, Higashi R, W-M Fan T Trends Analyt Chem. 2020; 120.

PMID: 32523238 PMC: 7286614. DOI: 10.1016/j.trac.2018.11.020.

The metaRbolomics Toolbox in Bioconductor and beyond.

Stanstrup J, Broeckling C, Helmus R, Hoffmann N, Mathe E, Naake T Metabolites. 2019; 9(10).

PMID: 31548506 PMC: 6835268. DOI: 10.3390/metabo9100200.

Spent embryo culture medium metabolites are related to the in vitro attachment ability of blastocysts.

DSouza F, Uppangala S, Asampille G, Salian S, Kalthur G, Talevi R Sci Rep. 2018; 8(1):17025.

PMID: 30451915 PMC: 6242932. DOI: 10.1038/s41598-018-35342-2.

NMR-based Stable Isotope Resolved Metabolomics in systems biochemistry.

Lane A, W-M Fan T Arch Biochem Biophys. 2017; 628:123-131.

PMID: 28263717 PMC: 5545158. DOI: 10.1016/j.abb.2017.02.009.

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