2018
DOI: 10.1002/mrc.4683
|View full text |Cite
|
Sign up to set email alerts
|

Automatic differential analysis of NMR experiments in complex samples

Abstract: Liquid state nuclear magnetic resonance (NMR) is a powerful tool for the analysis of complex mixtures of unknown molecules. This capacity has been used in many analytical approaches: metabolomics, identification of active compounds in natural extracts, and characterization of species, and such studies require the acquisition of many diverse NMR measurements on series of samples.Although acquisition can easily be performed automatically, the number of NMR experiments involved in these studies increases very rap… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1
1
1

Citation Types

0
10
0

Year Published

2018
2018
2022
2022

Publication Types

Select...
7
1

Relationship

0
8

Authors

Journals

citations
Cited by 14 publications
(10 citation statements)
references
References 20 publications
0
10
0
Order By: Relevance
“…A highly downfield shifted methyne carbon signal at 105.4 ppm and a quaternary carbon signal at 93.7 ppm indicated the compound is highly oxygenated. The 13 C-, DEPT, 1 H -NMR spectral data of the compound was identified by comparison of its 1 H, 13 C NMR spectral data with those reported for artemisinin (Cafferata et al 2009 ; Margueritte et al 2018 ). There were different methods of extraction and purification for artemisinin.…”
Section: Discussionmentioning
confidence: 99%
“…A highly downfield shifted methyne carbon signal at 105.4 ppm and a quaternary carbon signal at 93.7 ppm indicated the compound is highly oxygenated. The 13 C-, DEPT, 1 H -NMR spectral data of the compound was identified by comparison of its 1 H, 13 C NMR spectral data with those reported for artemisinin (Cafferata et al 2009 ; Margueritte et al 2018 ). There were different methods of extraction and purification for artemisinin.…”
Section: Discussionmentioning
confidence: 99%
“…Among the spectroscopic methods commonly used in the analysis of natural products, NMR spectroscopy is a dominant technique due to the wide range of experimental approaches that are available, the high level of structural information that is provided, and the non‐destruction of the sample . Significant effort has been given to the development of NMR methodologies that can be applied successfully to the analysis of various constituents of complex mixtures or crude plant extracts without any previous separation or isolation of the individual components . To the best of our knowledge, however, only one attempt has been made to analyze by 13 C and 1 H NMR the major components (artemisinin, camphor, and dihydroartemisinic acid) of a raw A .…”
Section: Introductionmentioning
confidence: 99%
“…5.2.2 Plasmodesma: automatised pharmacophoric deconvolution. To face the avalanche of data that derives from the manual comparison of metabolomics studies or natural extracts screening, Delsuc et al developed a computer program, nicknamed Plasmodesma 93 allowing the autonomous, unsupervised processing of a large corpus of 1D and 2D NMR spectra acquired in different conditions. The capabilities of this tool were extended to be able to extract the spectral ngerprint of a molecule of interest from a set of NMR experiments through a simple linear regression, leading to pharmacophoric deconvolution.…”
Section: Linking Spectral Features To Bioactive Substructure Ngerprint: Pharmacophoric Deconvolutionmentioning
confidence: 99%