J‐filter: An experiment to simplify and isolate specific signals in 1H NMR spectra of complex mixtures based on scalar coupling constants

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Abstract

One-dimensional selective NMR experiments relying on a J-filter element are proposed to isolate specific signals in crowded 1H spectral regions. The J-filter allows the edition or filtering of signals in a region of interest of the spectrum by exploiting the specific values of their 1H-1H coupling constants and certain parameters of protons coupled to them that appear in less congested parts of the spectrum (chemical shifts and coupling constants). The new experiments permitted the isolation of specific peaks of phytosterol components in a sample obtained from a liquid nutraceutical recommended for lowering blood cholesterol levels in regions with complete overlap in the 1H spectrum.

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K. V. Góñez, J. S. García, F. J. Sardina, Y. Pazos, Á. Saá, M. Martín−Pastor, J-filter: An experiment to simplify and isolate specific signals in 1H NMR spectra of complex mixtures based on scalar coupling constants. Magn Reson Chem 2023, 61(11), 615. https://doi.org/10.1002/mrc.5396

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K.V.G., J.S.G., and F.J.S. thank the Xunta de Galicia (Centro Singular de Investigación de Galicia accreditation 2019–2022, ED431G2019/03), and the European Regional Development Fund (ERDF) is gratefully acknowledged. M.M.-P. and J.S. thank the Galician Innovation Agency (GAIN) for the funding of this project (title BIOTICFINDER, Programa Conecta COVID, 2021-PG082). A.S.H. thanks the SmartGlobalLab project (Nº 2021/C005/00150505) under the 2021 Call for grants for research and development projects in artificial intelligence and other digital technologies and their integration in value chains (C005/21-ED), funded by the European Union–NextGenerationEU.

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© 2023 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd.
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