Dataset Information

Multivariate Curve Resolution for 2D Solid-State NMR spectra.

ABSTRACT: We present a processing method, based on the multivariate curve resolution approach (MCR), to denoise 2D solid-state NMR spectra, yielding a substantial S/N ratio increase while preserving the lineshapes and relative signal intensities. These spectral features are particularly important in the quantification of silicon species, where sensitivity is limited by the low natural abundance of the ²⁹Si nuclei and by the dilution of the intrinsic protons of silica, but can be of interest also when dealing with other intermediate-to-low receptivity nuclei. This method also offers the possibility of coprocessing multiple 2D spectra that have the signals at the same frequencies but with different intensities (e.g.: as a result of a variation in the mixing time). The processing can be carried out on the time-domain data, thus preserving the possibility of applying further processing to the data. As a demonstration, we have applied Cadzow denoising on the MCR-processed FIDs, achieving a further increase in the S/N ratio and more effective denoising also on the transients at longer indirect evolution times. We have applied the combined denoising on a set of experimental data from a lysozyme-silica composite.

SUBMITTER: Bruno F

PROVIDER: S-EPMC7997113 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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Multivariate Curve Resolution for 2D Solid-State NMR spectra.

Bruno Francesco F Francischello Roberto R Bellomo Giovanni G Gigli Lucia L Flori Alessandra A Menichetti Luca L Tenori Leonardo L Luchinat Claudio C Ravera Enrico E

Analytical chemistry 20200303 6

We present a processing method, based on the multivariate curve resolution approach (MCR), to denoise 2D solid-state NMR spectra, yielding a substantial S/N ratio increase while preserving the lineshapes and relative signal intensities. These spectral features are particularly important in the quantification of silicon species, where sensitivity is limited by the low natural abundance of the <sup>29</sup>Si nuclei and by the dilution of the intrinsic protons of silica, but can be of interest als ...[more]

PMID: 32069028

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Dataset Information

Multivariate Curve Resolution for 2D Solid-State NMR spectra.

Publications

Multivariate Curve Resolution for 2D Solid-State NMR spectra.

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