The nature of the nitrite disorder in Na3ONO2Electronic supplementary information (ESI) available: Calculation of the 15N NMR spectra following the modified order model. See http://www.rsc.org/suppdata/cp/b2/b201336n/

2002 ◽  
Vol 4 (14) ◽  
pp. 3461-3466 ◽  
Author(s):  
Gerhard Klösters ◽  
Leo van Wüllen ◽  
Martin Jansen
Keyword(s):  
Nmr Spectra ◽  
Supplementary Information ◽  
15N Nmr ◽  
Order Model

1H, 13C and 15N NMR Spectra of Coupling Products of Benzenediazonium Salts with Aliphatic Nitro Compounds and Study of Their E/Z Isomerism

1996 ◽  
Vol 61 (4) ◽  
pp. 589-596 ◽  
Author(s):  
Antonín Lyčka
Keyword(s):  
Dimethyl Sulfoxide ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Nitro Compounds ◽  
Coupling Constants ◽  
15N Nmr ◽  
Geometrical Isomers ◽  
Sodium Salts ◽  
Aliphatic Nitro Compounds ◽  
Tautomeric Forms

The 1H, 13C and 15N NMR spectra have been measured of coupling products of benzenediazonium salts with nitromethane, nitroethane, 1-nitropropane, 2-nitroethanol and of their sodium salts, and the chemical shifts have been unambiguously assigned. The coupling products have been found to exist only in their hydrazone tautomeric forms. Stereospecific behaviour of the coupling constants 2J(15N,1H) and 2J(15N,13C) in the 15N isotopomers and NOESY have been used to differentiate between the E and Z geometrical isomers. The above-mentioned compounds exist as Z isomers in deuteriochloroform and predominantly (>95%) as E isomers in dimethyl sulfoxide, while the sodium salts are present only as E isomers in dimethyl sulfoxide.

scholarly journals ASICS: an R package for a whole analysis workflow of 1D 1H NMR spectra

2019 ◽  
Vol 35 (21) ◽  
pp. 4356-4363 ◽  
Author(s):  
Gaëlle Lefort ◽  
Laurence Liaubet ◽  
Cécile Canlet ◽  
Patrick Tardivel ◽  
Marie-Christine Père ◽  
...  
Keyword(s):  
Metabolic Pathways ◽  
Nmr Spectra ◽  
Complex Mixture ◽  
R Package ◽  
Statistical Analyses ◽  
Supplementary Information ◽  
Automatic Identification ◽  
Analysis Workflow ◽  
Expert Analysis ◽  
New Biomarkers

Abstract Motivation In metabolomics, the detection of new biomarkers from Nuclear Magnetic Resonance (NMR) spectra is a promising approach. However, this analysis remains difficult due to the lack of a whole workflow that handles spectra pre-processing, automatic identification and quantification of metabolites and statistical analyses, in a reproducible way. Results We present ASICS, an R package that contains a complete workflow to analyse spectra from NMR experiments. It contains an automatic approach to identify and quantify metabolites in a complex mixture spectrum and uses the results of the quantification in untargeted and targeted statistical analyses. ASICS was shown to improve the precision of quantification in comparison to existing methods on two independent datasets. In addition, ASICS successfully recovered most metabolites that were found important to explain a two level condition describing the samples by a manual and expert analysis based on bucketing. It also found new relevant metabolites involved in metabolic pathways related to risk factors associated with the condition. Availability and implementation ASICS is distributed as an R package, available on Bioconductor. Supplementary information Supplementary data are available at Bioinformatics online.

15N NMR spectra of some ionic liquids based on 1,3-disubstituted imidazolium cations

2006 ◽  
Vol 44 (5) ◽  
pp. 521-523 ◽  
Author(s):  
Antonín Lyčka ◽  
Roman Doleček ◽  
Petr Šimûnek ◽  
Vladimír Macháček
Keyword(s):  
Ionic Liquids ◽  
Nmr Spectra ◽  
15N Nmr ◽  
Imidazolium Cations

Proton coupling networks from extended DEPT GL spectral editing of 13C and 15N NMR spectra

1985 ◽  
Vol 63 (3) ◽  
pp. 601-604 ◽  
Author(s):  
Hans J Jakobsen ◽  
Ulla B Sørensen ◽  
Henrik Bildsøe ◽  
Ole W Sørensen
Keyword(s):  
Nmr Spectra ◽  
15N Nmr ◽  
Spectral Editing ◽  
Proton Coupling

scholarly journals 15N NMR Spectra of Cobalt(III) Complexes Containing15NO2−

1985 ◽  
Vol 58 (11) ◽  
pp. 3407-3408 ◽  
Author(s):  
Yoshio Odaka ◽  
Akira Yamasaki ◽  
Masatoshi Watabe
Keyword(s):  
Nmr Spectra ◽  
15N Nmr
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