Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples-Reference-Cited by-同舟云学术

Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples

Published:2018 Issue:25 Volume:54 Page:3090-3093
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Puig-Castellví Francesc¹²³^ORCID,Pérez Yolanda⁴²³^ORCID,Piña Benjamín¹²³^ORCID,Tauler Romà¹²³^ORCID,Alfonso Ignacio⁵²³^ORCID

Affiliation:

1. Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research (IDAEA-CSIC)

2. 08034 Barcelona

3. Spain

4. NMR Facility, Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

5. Department of Biological Chemistry and Molecular Modelling, Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Abstract

A variable-filtering approach of multidimensional NMR spectral data is proposed. Filtered data keeps resonance information and original spectral resolution. The denoised data can be easily peak-picked and integrated, allowing a fast and accurate NMR analysis.

Funder

FP7 Ideas: European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CC/C7CC09891J

Reference15 articles.

1. BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

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4. BigData and computing challenges in high energy and nuclear physics

5. Big data challenges in ocean observation: a survey

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