ArticleAnalytical chemistry2025
Full-Signal Ultrahigh-Resolution NMR by Parameter Estimation.
Article in Analytical chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Authors and funding
4 authors.
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Abstract
Pure shift NMR spectra, in which multiplet structure is suppressed, are widely used but exact a high price in sensitivity. Here we present CUPID (Computer-assisted Undiminished-sensitivity Protocol for Ideal Decoupling), which uses parametric estimation to produce pure shift NMR spectra from easily acquired 2D J-resolved (2DJ) data sets. Unlike previous practical methods for broadband pure shift NMR, it makes use of all of the available signal. CUPID is therefore effective even at sample concentrations where current methods are too insensitive to yield usable spectra. As an additional benefit, the estimation method used allows the extraction of individual multiplet structures from overlapping spectra. CUPID is freely available through NMR Estimation in Python (NMR-EsPy), an open-source package with a simple-to-use API, and comes with a graphical user interface that is accessible via Topspin, a widely used NMR software platform.
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Registered trials
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