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SOFAST-HMQC—an efficient tool for metabolomics

Ghosh, Soumita, Sengupta, Arjun, Chandra, Kousik
Analytical and bioanalytical chemistry 2017 v.409 no.29 pp. 6731-6738
blood serum, metabolites, metabolomics, nuclear magnetic resonance spectroscopy, quantum mechanics, stable isotopes, urine
Nuclear magnetic resonance (NMR)-based metabolomics relies mostly on 1D NMR; however, the technique is limited by overlap of the signals from the metabolites. In order to circumvent this problem, 2D ¹H-¹³C correlation spectroscopy techniques are often used. However owing to poorer natural abundance and gyromagnetic ratio of ¹³C, the acquisition time for 2D ¹H-¹³C heteronuclear single quantum coherence spectroscopy (HSQC) is long. This makes it almost impossible to be used in high throughput study. We have reported the application of selective optimized flip angle short transient (SOFAST) technique coupled to heteronuclear multiple quantum correlation (HMQC) along with nonlinear sampling (NUS) in urine and serum samples. This technique takes sevenfold less experimental time than the conventional ¹H-¹³C HSQC experiment with retention of almost all molecular information. Hence, this can be used for high throughput study. Graphical abstract SOFAST-HMQC is a two-dimensional NMR technique that significantly decreases experimental time without loss of information. This technique is applied in complex biofluid samples that are used for high throughput metabolomics studies and shows promise of better information recovery than conventional two-dimensional NMR technique in shorter time.