scholarly journals Detecting Admixture to Mango Purée of the Alphonso Cultivar (Mangifera indica L. cv. Alphonso) by 1H-NMR Spectroscopy

2021 ◽  
Author(s):  
Claas Strecker ◽  
Victor Ara
Keyword(s):  
Nmr Spectroscopy ◽  
Analytical Methods ◽  
1H Nmr Spectroscopy ◽  
Mangifera Indica ◽  
Food Authenticity ◽  
Test Set ◽  
H Nmr ◽  
Low Levels ◽  
Alphonso Mango ◽  
Local Outlier

AbstractFood authenticity is becoming increasingly important but challenges existing analytical methods. In this study, we analyze the mango cultivar Alphonso with regard to authenticity using 1H-NMR spectroscopy. This cultivar has been termed “the king of mangoes” due to its unique flavor. Regarding its metabolites however, little is known about unique constellations that allow for differentiation of the Alphonso cultivar. We find that the Alphonso cultivar is distinguished by high levels of niacin, trigonelline, and histidine but features relatively low levels of alanine. Furthermore, we develop a model based on the local outlier factor algorithm that effectively detects admixture of non-Alphonso cultivars to Alphonso purée. This task is highly challenging because we identified no metabolites that are unique or uniquely absent in the Alphonso cultivar compared to other mango cultivars analyzed in this study. Our model shows promising results on a test set: Admixtures consisting of 35% non-Alphonso and 65% Alphonso mango purée were uncovered with a sensitivity of 88%. At the same time, our model verified Alphonso samples with a good specificity of 86%.

Asymetrical Dimer - allyl-palladiu Complexes II. Data from Infrared Spectra and Chemical Behaviour

2008 ◽  
Vol 59 (7) ◽  
Author(s):  
Maria Maganu ◽  
Filip Chiraleu ◽  
Constantin Draghici ◽  
Gheorghe Mihai
Keyword(s):  
Carbon Monoxide ◽  
Nmr Spectroscopy ◽  
1H Nmr ◽  
Infrared Spectra ◽  
Analytical Methods ◽  
1H Nmr Spectroscopy ◽  
Chemical Behaviour ◽  
The Asymmetry ◽  
Pd Complexes

The previous data obtained by 1H-NMR spectroscopy established the existence of an asymmetry of the bond between Pd and p-allylic groups, even in the p-allyl-Pd complexes dimers which are considered usually symmetric dimers. The asymmetry of the bond depends by the substitutes of the allylic group. Other analytical methods were investigated for additional proof of the obtained results. Thus, this paper discusses how this asymmetry would be reflected in the infrared spectra and in the reaction of the complexes with carbon monoxide.

Conformational study on ribonucleoside O-phosphonylmethyl derivatives by 1H NMR spectroscopy

1985 ◽  
Vol 50 (8) ◽  
pp. 1899-1905 ◽  
Author(s):  
Milena Masojídková ◽  
Jaroslav Zajíček ◽  
Miloš Buděšínský ◽  
Ivan Rosenberg ◽  
Antonín Holý
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Conformational Study ◽  
H Nmr ◽  
Conformational Properties

Conformational properties of ribonucleoside 5'-O-phosphonylmethyl derivatives have been determined by 1H NMR spectroscopy and compared with those of natural nucleosides and 5'-nucleotides.

scholarly journals Assessment of 1H NMR Spectroscopy for Specific Metabolite Fingerprinting of Angelica sinensis

2008 ◽  
Vol 3 (5) ◽  
pp. 1934578X0800300
Author(s):  
Dongmin Su ◽  
Jinglan Han ◽  
Shishan Yu ◽  
Hailin Qin
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Authentic Sample ◽  
Angelica Sinensis ◽  
Metabolite Fingerprinting ◽  
H Nmr ◽  
Pure Compounds ◽  
Polar Extracts

The 1H NMR fingerprints of fractionated non-polar extracts (CSPD A) from the roots of Angelica sinensis of six different specimens were assigned by comparison with the 1H NMR spectra of the isolated pure compounds. The 1H NMR fingerprints showed exclusively characteristic resonance signals of the major constituents of the plant. The 1H NMR fingerprint established for an authentic sample of A. sinensis can be used for authenticating A. sinensis species.

Low-field 1H-NMR spectroscopy for compositional analysis of multicomponent polymer systems

The Analyst ◽  
2019 ◽  
Vol 144 (5) ◽  
pp. 1679-1686 ◽  
Author(s):  
Sneha B. Chakrapani ◽  
Michael J. Minkler ◽  
Bryan S. Beckingham
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Compositional Analysis ◽  
Polymer Systems ◽  
H Nmr ◽  
Low Field ◽  
Multicomponent Polymer

A low-field, 60 MHz, 1H NMR spectrometer yields quantitatively comparable results to 400 MHz spectrometers for the compositional analysis of multicomponent polymer systems.

scholarly journals Intermolecular Interactions between Eosin Y and Caffeine Using 1H-NMR Spectroscopy

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Macduff O. Okuom ◽  
Mark V. Wilson ◽  
Abby Jackson ◽  
Andrea E. Holmes
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr Spectroscopy ◽  
Date Rape ◽  
Proton Exchange ◽  
Eosin Y ◽  
Club Drugs ◽  
Hydroxybutyric Acid ◽  
Color Changes ◽  
H Nmr ◽  
Nmr Methods

DETECHIP has been used in testing analytes including caffeine, cocaine, and tetrahydrocannabinol (THC) from marijuana, as well as date rape and club drugs such as flunitrazepam, gamma-hydroxybutyric acid (GHB), and methamphetamine. This study investigates the intermolecular interaction between DETECHIP sensor eosin Y (DC1) and the analyte (caffeine) that is responsible for the fluorescence and color changes observed in the actual array. Using 1H-NMR, 1H-COSY, and 1H-DOSY NMR methods, a proton exchange from C-8 of caffeine to eosin Y is proposed.

Light induced E–Z isomerization in a multi-responsive organogel: elucidation from 1H NMR spectroscopy

2015 ◽  
Vol 51 (53) ◽  
pp. 10680-10683 ◽  
Author(s):  
Sanjoy Mondal ◽  
Priyadarshi Chakraborty ◽  
Partha Bairi ◽  
Dhruba P. Chatterjee ◽  
Arun K. Nandi
Keyword(s):  
Mechanical Properties ◽  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
H Nmr ◽  
Imine Bond

Light induced E–Z isomerization along imine bond in a multiresponsive organogel of anthracene attached 3,4,5-tris(dodecyloxy)benzohydrazide gelator altering morphology, fluorescence and mechanical properties is elucidated from 1H NMR spectra.

Conformation studies of isomeric 1-acyloxy-2-(4-methoxybenzyl)-cyclohexanes by 1H NMR spectroscopy

1982 ◽  
Vol 47 (10) ◽  
pp. 2763-2767 ◽  
Author(s):  
Miloš Buděšínský ◽  
David Šaman ◽  
Zdeněk Wimmer
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Chair Conformation ◽  
Acetoxy Group ◽  
Cyclohexane Ring ◽  
H Nmr

The conformation of the cyclohexane ring and the p-methoxybenzyl substituent in the series of isomeric 1-acyloxy-2-(4-methoxybenzyl)cyclohexanes was studied by means of 1H NMR spectroscopy. In all the substances investigated the cyclohexane ring assumes chair conformation. trans-Isomers have both substituents in equatorial positions, while in cis-isomers the p-methoxybenzyl group is always equatorial and the hydroxy or acetoxy group axial.

scholarly journals (—)D-und (+)D-4-Methoxyphenylmethyl- thiophosphinsäure, Überprüfung der Racematspaltung mittels 31P{ 1H}-NMR-Spektroskopie/(—)D-and (+ )D-4-Methoxyphenylmethyl- thiophosphinic Acid, Control of the Resolution by 31P{1H} NMR Spectroscopy

1979 ◽  
Vol 34 (9) ◽  
pp. 1332-1333 ◽  
Author(s):  
Wilhelm Kuchen ◽  
Jurgen Kutter
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
Fractional Crystallization ◽  
1H Nmr Spectroscopy ◽  
Optical Purity ◽  
Separation Process ◽  
H Nmr ◽  
Acid Control

Abstract (-)D-and (+)D-4-methoxyphenylmethyl-thiophosphinic acid, quinine salts of (-)D-and (+)D-4-methoxyphenylmethylthiophosphinic acid, checking of resolution by 31P{ 1H} NMR-spectroscopy (-)D-and(+)D-4-CH3OC6H4(CH3)P(S)OH acid were obtained from fractional crystallization of the quinine salt of the racemic acid. 31P{1H} NMR spectroscopy proved to be very useful in checking the separation process as well as the optical purity of the diastereomers and enan­tiomers.

scholarly journals Discrimination of enantiomers of dipeptide derivatives with two chiral centers by tetraaza macrocyclic chiral solvating agents using 1H NMR spectroscopy

2016 ◽  
Vol 3 (12) ◽  
pp. 1716-1724 ◽  
Author(s):  
Lixia Fang ◽  
Caixia Lv ◽  
Guo Wang ◽  
Lei Feng ◽  
Pericles Stavropoulos ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
H Nmr ◽  
New Class ◽  
Chiral Centers

Enantiomers of dipeptide derivatives with two chiral centers were effectively discriminated by a new class of tetraaza macrocyclic chiral solvating agents via1H NMR spectroscopy.

In situ reactions with trichloroacetyl isocyanate and their application to structural assignment of hydroxy compounds by 1H NMR spectroscopy. A general comment

1979 ◽  
Vol 44 (2) ◽  
pp. 558-588 ◽  
Author(s):  
Zdeněk Samek ◽  
Miloš Buděšínský
Keyword(s):  
Nmr Spectroscopy ◽  
Structural Analysis ◽  
Functional Groups ◽  
1H Nmr Spectroscopy ◽  
H Nmr ◽  
Structural Assignment ◽  
Trichloroacetyl Isocyanate ◽  
In Situ Reactions ◽  
Hydroxy Compounds

The application possibilities of the in situ reactions of trichloroacetyl isocyanate (TAI method) to structural assignment of alcohols by means of 1H NMR spectroscopy are critically evaluated. The possibilities of TAI acylations in various solvents are demonstrated and the reactivity of various functional groups, potentially complicating or extending the applications of TAI, is discussed. In addition to their use in structural analysis such reactions also can serve as model experiments for preparative purposes.

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