SMolESY: an efficient and quantitative alternative to on-instrument macromolecular <sup>1</sup>H-NMR signal suppression
Panteleimon G. Takis, Beatriz Jiménez, Caroline Sands, Elena Chekmeneva, Matthew R. Lewis
Abstract
H-NMR spectra, producing small molecule-enhanced spectra with preserved quantitative capability and increased resolution. Our approach, presented in its simplest form, was implemented in a cheminformatic toolbox and successfully applied to more than 3000 samples of various biological matrices rich or potentially rich with macromolecules, offering an efficient alternative to on-instrument experimentation, facilitating NMR use in routine and large-scale applications.
Topics & Concepts
MacromoleculeNuclear magnetic resonance spectroscopySIGNAL (programming language)ChemistrySpectroscopyNuclear magnetic resonancePhysicsComputer scienceBiochemistryQuantum mechanicsProgramming languageNMR spectroscopy and applicationsAdvanced NMR Techniques and ApplicationsMetabolomics and Mass Spectrometry Studies