scholarly journals Challenges in the decomposition of 2D NMR spectra of mixtures of small molecules

2019 ◽  
Vol 218 ◽  
pp. 459-480 ◽  
Author(s):  
Afef Cherni ◽  
Elena Piersanti ◽  
Sandrine Anthoine ◽  
Caroline Chaux ◽  
Laetitia Shintu ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Small Molecules ◽  
Blind Source Separation ◽  
Nmr Spectra ◽  
Source Separation ◽  
2D Nmr ◽  
Blind Identification ◽  
2D Nmr Spectra

In this paper we present a general approach for the blind identification of compounds from solutions using NMR spectroscopy and blind source separation algorithms.

scholarly journals Assignment of the 1H and 13C spectra of aspidocarpine and assignment of the structure and stereochemistry of the von Braun reaction product of aspidocarpine by 2D nmr spectroscopy

1987 ◽  
Vol 65 (1) ◽  
pp. 200-204 ◽  
Author(s):  
Stewart McLean ◽  
William F. Reynolds ◽  
Xingpei Zhu
Keyword(s):  
Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Cyanogen Bromide ◽  
2D Nmr ◽  
2D Nmr Spectroscopy ◽  
2D Nmr Spectra

The 13C and 1H spectra of aspidocarpine and the spectra, structure, and stereochemistry of the product of its von Braun reaction with cyanogen bromide have been totally assigned by a combination of homonuclear (COSY-45) and direct and indirect heteronuclear shift-correlated 2D nmr spectra.

scholarly journals Assessment of Astaxanthin Accumulation in Hepatocytes of Atlantic Salmon Fed Different Diets Using NMR Spectroscopy

Molecules ◽  
2020 ◽  
Vol 25 (8) ◽  
pp. 1769
Author(s):  
Elena Shumilina ◽  
Alessandra Ciampa ◽  
Trine Ytrestøyl ◽  
Alexander Dikiy
Keyword(s):  
Nmr Spectroscopy ◽  
Atlantic Salmon ◽  
Nmr Spectra ◽  
2D Nmr ◽  
Fish Feed ◽  
Marine Phospholipids ◽  
2D Nmr Spectra ◽  
Farmed Atlantic Salmon ◽  
Short Time ◽  
Detection And Quantification

This study aimed to assess the astaxanthin (Ax) accumulation in hepatocytes isolated from farmed Atlantic salmon fed different diets (rich marine, poor, poor with marine phospholipids (MPL) and poor with docosahexaenoic acid (DHA)). Nuclear magnetic resonance (NMR) spectroscopy was used for the Ax detection and quantification. The use of the 13C-enriched Ax allowed the assessment of short-time Ax metabolism. The substitution of fish oil and meal in fish feed on plant analogs and the addition of MPL caused further catabolism and decrease of Ax accumulation in hepatocytes from 17 to about 6 mg/kg or to almost zero in the case of DHA addition. Signals assignment of the native and 13C-enriched astaxanthin in acetone were performed using 1D and 2D NMR spectra.

scholarly journals Ultrafast 2D 1H-1H NMR spectroscopy of DNP-hyperpolarised substrates for the analysis of mixtures

2021 ◽  
Author(s):  
Kawarpal Singh ◽  
Corentin Jacquemmoz ◽  
Patrick Giraudeau ◽  
Lucio Frydman ◽  
Jean-Nicolas Dumez
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
2D Nmr ◽  
Multiple Quantum ◽  
Dynamic Nuclear Polarisation ◽  
Nuclear Polarisation ◽  
2D Nmr Spectra

We show that TOCSY and multiple-quantum (MQ) 2D NMR spectra can be obtained for mixtures of substrates hyperpolarised by dissolution dynamic nuclear polarisation (D-DNP). This is achieved by combining optimised...

scholarly journals Morin as a Preservative for Delaying Senescence of Banana

Biomolecules ◽  
2018 ◽  
Vol 8 (3) ◽  
pp. 52 ◽  
Author(s):  
Hong Zhu ◽  
Jiali Yang ◽  
Yueming Jiang ◽  
Jun Zeng ◽  
Xuesong Zhou ◽  
...  
Keyword(s):  
Amino Acids ◽  
Principal Component Analysis ◽  
Nuclear Magnetic Resonance ◽  
Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Nutritional Value ◽  
Principal Component ◽  
2D Nmr ◽  
Climacteric Fruit ◽  
2D Nmr Spectra

Banana is a climacteric fruit with desirable palatability and high nutritional value. It ripens rapidly accompanied with metabolite changes during postharvest storage. In this work, morin was applied to treat banana to delay senescence. Nuclear magnetic resonance (NMR) spectroscopy was used to monitor the changes of metabolite composition and levels in banana. The results showed that morin significantly delayed the changes of color and firmness. 1D and 2D NMR spectra reflected that the levels and composition of metabolites were changed with the senescence initiation. The principal component analysis revealed that the first principal components responsible for banana senescence were carbohydrates, amino acids, lipids and phenolics. Morin treatment delayed the transformation of starch to glucose, fructose and sucrose, accelerated the accumulations of alanine and γ-Amino-butyrate (GABA), postponed the generations of valine and l-aspartic acid, suppressed the degradation of saponin a. It indicated that morin was effective in delaying banana senescence.

Differential Analysis of 2D NMR Spectra: New Natural Products from a Pilot-Scale Fungal Extract Library

2007 ◽  
Vol 46 (6) ◽  
pp. 901-904 ◽  
Author(s):  
Frank C. Schroeder ◽  
Donna M. Gibson ◽  
Alice C. L. Churchill ◽  
Punchapat Sojikul ◽  
Eric J. Wursthorn ◽  
...  
Keyword(s):  
Natural Products ◽  
Nmr Spectra ◽  
2D Nmr ◽  
Pilot Scale ◽  
Differential Analysis ◽  
Fungal Extract ◽  
2D Nmr Spectra

scholarly journals New Antimalarial and Antimicrobial Tryptamine Derivatives from the Marine Sponge Fascaplysinopsis reticulata

Marine Drugs ◽  
2019 ◽  
Vol 17 (3) ◽  
pp. 167 ◽  
Author(s):  
Pierre-Eric Campos ◽  
Emmanuel Pichon ◽  
Céline Moriou ◽  
Patricia Clerc ◽  
Rozenn Trépos ◽  
...  
Keyword(s):  
Plasmodium Falciparum ◽  
Minimum Inhibitory Concentration ◽  
Marine Sponge ◽  
Nmr Spectra ◽  
Inhibitory Concentration ◽  
Chemical Study ◽  
2D Nmr ◽  
Antimicrobial Activities ◽  
2D Nmr Spectra ◽  
Ic50 Values

Chemical study of the CH2Cl2-MeOH (1:1) extract of the sponge Fascaplysinopsis reticulata collected in Mayotte highlighted three new tryptophan derived alkaloids, 6,6′-bis-(debromo)-gelliusine F (1), 6-bromo-8,1′-dihydro-isoplysin A (2) and 5,6-dibromo-8,1′-dihydro-isoplysin A (3), along with the synthetically known 8-oxo-tryptamine (4) and the three known molecules from the same family, tryptamine (5), (E)-6-bromo-2′-demethyl-3′-N-methylaplysinopsin (6) and (Z)-6-bromo-2′-demethyl-3′-N-methylaplysinopsin (7). Their structures were elucidated by 1D and 2D NMR spectra and HRESIMS data. All compounds were evaluated for their antimicrobial and their antiplasmodial activities. Regarding antimicrobial activities, the best compounds are (2) and (3), with minimum inhibitory concentration (MIC) of 0.01 and 1 µg/mL, respectively, towards Vibrio natrigens, and (5), with MIC values of 1 µg/mL towards Vibrio carchariae. In addition the known 8-oxo-tryptamine (4) and the mixture of the (E)-6-bromo-2′-demethyl-3′-N-methylaplysinopsin (6) and (Z)-6-bromo-2′-demethyl-3′-N-methylaplysinopsin (7) showed moderate antiplasmodial activity against Plasmodium falciparum with IC50 values of 8.8 and 8.0 µg/mL, respectively.

scholarly journals Advanced solvent signal suppression for the acquisition of 1D and 2D NMR spectra of Scotch Whisky

2017 ◽  
Vol 55 (9) ◽  
pp. 785-796 ◽  
Author(s):  
Will Kew ◽  
Nicholle G.A. Bell ◽  
Ian Goodall ◽  
Dušan Uhrín
Keyword(s):  
Nmr Spectra ◽  
2D Nmr ◽  
Signal Suppression ◽  
2D Nmr Spectra ◽  
Solvent Signal Suppression ◽  
Scotch Whisky
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