scholarly journals Seeking a Fast Screening Method of the Varietal Origin of Olive Oil: The Usefulness of an NMR-Based Approach

Foods ◽  
2021 ◽  
Vol 10 (2) ◽  
pp. 399 ◽  
Author(s):  
Maria João Cabrita ◽  
Arona Pires ◽  
Anthony J. Burke ◽  
Raquel Garcia
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Screening Method ◽  
Multivariate Statistical ◽  
Olive Oils ◽  
Model Based ◽  
Fast Screening ◽  
Nmr Data ◽  
Multinuclear Nmr Spectroscopy ◽  
Spectroscopic Tool

This work encompasses the use of 1D multinuclear NMR spectroscopy, namely, 1H NMR and 13C NMR DEPT 45, combined with a multivariate statistical analysis to characterize olive oils produced from nine different varieties: Galega Vulgar, Cobrançosa, Cordovil de Serpa, Blanqueta, Madural, Verdeal Alentejana, Arbequina, Picual and Carrasquenha. Thus, the suitability of an NMR-based spectroscopic tool to discriminate olive oils according to their varietal origin is addressed. The results obtained show that the model based on 13C NMR DEPT 45 data has a stronger performance than the model based on 1H NMR data, proving to be promising in the discrimination of the olive oils under study based on their varietal origin, being particularly relevant for olive oils of the Galega Vulgar variety.

scholarly journals 1H-NMR Profiling Shows as Specific Constituents Strongly Affect the International EVOO Blends Characteristics: The Case of the Italian Oil

Molecules ◽  
2021 ◽  
Vol 26 (8) ◽  
pp. 2233
Author(s):  
Francesca Calò ◽  
Chiara Roberta Girelli ◽  
Federica Angilè ◽  
Laura Del Coco ◽  
Lucia Mazzi ◽  
...  
Keyword(s):  
1H Nmr ◽  
Metabolic Profile ◽  
1H Nmr Spectroscopy ◽  
Virgin Olive Oil ◽  
Extra Virgin Olive Oil ◽  
Minor Components ◽  
Multivariate Statistical ◽  
Olive Oils ◽  
The World ◽  
Plateau Level

Considering the growing number of extra virgin olive oil (EVOO) producers in the world, knowing the influence of olive oils with different geographical origins on the characteristics of the final blend becomes an interesting goal. The present work is focused on commercial organic EVOO blends obtained by mixing multiple oils from different geographical origins. These blends have been studied by 1H-NMR spectroscopy supported by multivariate statistical analysis. Specific characteristics of commercial organic EVOO blends originated by mixing oils from Italy, Tunisia, Portugal, Spain, and Greece were found to be associated with the increasing content of the Italian component. A linear progression of the metabolic profile defined characteristics for the analysed samples—up to a plateau level—was found in relation to the content of the main constituent of the Italian oil, the monocultivar Coratina. The Italian constituent percentage appears to be correlated with the fatty acids (oleic) and the polyphenols (tyrosol, hydroxytyrosol, and derivatives) content as major and minor components respectively. These results, which highlight important economic aspects, also show the utility of 1H-NMR associated with chemometric analysis as a powerful tool in this field. Mixing oils of different national origins, to obtain blends with specific characteristics, could be profitably controlled by this methodology.

Synthesis and Characterization of Highly Regioregular Poly (3 - Hexylthiophene)

2011 ◽  
Vol 306-307 ◽  
pp. 1649-1652 ◽  
Author(s):  
C.Y. Zhou ◽  
Lu Ting Yan ◽  
L.N. Zhang ◽  
X.D. Ai ◽  
T.X. Li
Keyword(s):  
Data Analysis ◽  
Absorption Spectra ◽  
1H Nmr ◽  
13C Nmr ◽  
Synthesis And Characterization ◽  
Nmr Data ◽  
Regioregular Poly

Regioregular poly (3-hexylthiophene) was synthesized by exchanging with Grignard agent followed by coupling with catalysis of Ni (dppp)Cl2. A nearly 100% HT-HT structure was verified from 1H-NMR and 13C-NMR data analysis. This highly regioregular structure gives P3HT outstanding stability and certain redshift of absorption spectra was found in contrast to materials with lower regioregularity.

scholarly journals On the occurrence of sonchuside A in Cicerbita alpina and its chemosystematic significance

2005 ◽  
Vol 70 (2) ◽  
pp. 171-175 ◽  
Author(s):  
Christian Zidorn ◽  
Ritae Schwaha ◽  
Ernst Ellmerer ◽  
Hermann Stuppner
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Nmr Data ◽  
First Time ◽  
Cicerbita Alpina

The subaerial parts of Cicerbita alpina yielded the guaianolide 8-acetyl- 15?-D-glucopyranosyllactucin (1) and the germacranolide Sonchuside A (2). The sonchuside A is reported for the first time from the genus Cicerbita. 1H-NMR and 13C NMR data of compounds 1 and 2 measured in deuterodimethyl sulfoxide and deuteromethanol, respectively, are given and the chemosystematic implications of the occurrence of sonchuside A in C. alpina are discussed briefly.

scholarly journals 1D “Spikelet” Projections from Heteronuclear 2D NMR Data—Permitting 1D Chemometrics While Preserving 2D Dispersion

Metabolites ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 16 ◽  
Author(s):  
Maryam Tabatabaei Anaraki ◽  
Wolfgang Bermel ◽  
Rudraksha Dutta Majumdar ◽  
Ronald Soong ◽  
Myrna Simpson ◽  
...  
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
2D Nmr ◽  
Complex Samples ◽  
Software Packages ◽  
Nmr Data ◽  
Wide Range ◽  
Spectral Dispersion ◽  
Living Organisms

Nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for the non-targeted metabolomics of intact biofluids and even living organisms. However, spectral overlap can limit the information that can be obtained from 1D 1H NMR. For example, magnetic susceptibility broadening in living organisms prevents any metabolic information being extracted from solution-state 1D 1H NMR. Conversely, the additional spectral dispersion afforded by 2D 1H-13C NMR allows a wide range of metabolites to be assigned in-vivo in 13C enriched organisms, as well as a greater depth of information for biofluids in general. As such, 2D 1H-13C NMR is becoming more and more popular for routine metabolic screening of very complex samples. Despite this, there are only a very limited number of statistical software packages that can handle 2D NMR datasets for chemometric analysis. In comparison, a wide range of commercial and free tools are available for analysis of 1D NMR datasets. Overtime, it is likely more software solutions will evolve that can handle 2D NMR directly. In the meantime, this application note offers a simple alternative solution that converts 2D 1H-13C Heteronuclear Single Quantum Correlation (HSQC) data into a 1D “spikelet” format that preserves not only the 2D spectral information, but also the 2D dispersion. The approach allows 2D NMR data to be converted into a standard 1D Bruker format that can be read by software packages that can only handle 1D NMR data. This application note uses data from Daphnia magna (water fleas) in-vivo to demonstrate how to generate and interpret the converted 1D spikelet data from 2D datasets, including the code to perform the conversion on Bruker spectrometers.

scholarly journals Synthesis, Spectral Characterization and Nematicidal activity studies of 2-[(2 -Nitrophenylimino) Methyl] Phenol and 2-[(4- Nitrophenyliminomethyl)]phenol Ligands and their FE(II) and NI(II) Complexes

2021 ◽  
Vol 4 (1) ◽  
pp. 202-211
Author(s):  
MS Iorungwa ◽  
GB Asaar ◽  
EN Iornumbe ◽  
PD Iorungwa ◽  
OM Fayomi ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Metal Complexes ◽  
1H Nmr ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
Root Knot Nematode ◽  
Microwave Assisted ◽  
Nmr Data ◽  
L1 And L2 ◽  
Microwave Assisted Method

Four complexes of Fe(II) and Ni(II) with2-[(2 -nitrophenylimino) methyl] phenol(L1) and 2-[(4- nitrophenyliminomethyl)] phenol(L2) Schiff bases have been prepared via the microwave assisted method. The ligands and their corresponding complexes were characterized on the basis of physical properties, elemental analysis, MS, FTIR, 1H-NMR and 13C-NMR spectroscopy and electronic spectra. The FTIR spectra of the complexes showed that the ligands L1 and L2 had bidentate character coordinating through the nitrogen and oxygen atoms. On coordination, results showed that the 1H-NMR and 13C-NMR data of L1 and L2 confirmed the formation of the complexes of Fe(II) and Ni(II). The probable coordination geometries of Fe(II) and Ni(II) were octahedral. All the metal complexes were found to be non-electrolytes in ethanol. Nematicidal studies proved that the ligands and their metals showed appreciable nematicidal properties against the root knot nematode Meloidogyne arenariawith the metal complexes exhibiting higher ability than the free ligands.

scholarly journals Isolation of Khusimol from the Root of Vetiver (Vetiveria zizanioides L. Nash) Grown in Samarang – Garut and the Study of its Profile after Harvesting

2021 ◽  
Vol 11 (2) ◽  
pp. 3549-3559
Keyword(s):  
Essential Oil ◽  
1H Nmr ◽  
Column Chromatography ◽  
13C Nmr ◽  
Structure Elucidation ◽  
Molecular Formula ◽  
Harvest Time ◽  
Target Compound ◽  
Vetiveria Zizanioides ◽  
Nmr Data

Vetiver oil is a type of essential oil extracted from the vetiver plant's roots. Vetiver oil is commonly used as a major odor contributor in the fragrance and aromatherapy industry. This study aimed to isolation khusimol compound from vetiver oil, which will be used as a marker and determine khusimol content in various drying times after harvesting. The target compound was found in the combination of fraction 3 (GF-3). Furthermore, GF-3 was subfractionated by classical column chromatography. Structure elucidation of isolate X was performed by NMR. 1H-NMR and 13C-NMR data of isolate X as the same as 1H-NMR and 13C-NMR data of khusimol compound in literature. Molecular formula of khusimol C15H24O. Khusimol content in extract with various drying times after harvest time 0 hr, 6 hr, 12 hr, 24 hr, 36 hr and 48 hr were 1.95 ± 0.02; 2.15 ± 0.02; 2.30 ± 0.03; 2.81 ± 0.01; 1.72 ± 0.03 and 1.38 ± 0.02 mg/100 g. The odor contributor compound was khusimol (C15H24O). The highest khusimol content was revealed by vetiver extract, which drying for 24 hr after harvest. Drying vetiver more than 24 hr could reduce khusimol content.

Synthesis and Biological Evaluation of Various New Substituted 1,3,4-oxadiazole-2-thiols

2008 ◽  
Vol 59 (4) ◽  
Author(s):  
Gabriela Laura Almajan ◽  
Stefania Felicia Barbuceanu ◽  
Ioana Saramet ◽  
Mihaela Dinu ◽  
Cristian Vasile Doicin ◽  
...  
Keyword(s):  
Biological Activity ◽  
Plant Growth ◽  
1H Nmr ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Biological Evaluation ◽  
Ethyl Chloroacetate ◽  
Low Concentrations ◽  
Synthesis And Biological Evaluation

5-[4-(4X-phenylsulfonyl)phenyl]-1,3,4-oxadiazole-2-thiols, X=H, Cl, Br, reacted with ethyl chloroacetate to give S-alkylated compounds. Aminomethylation of the thione form of oxadiazoles yielded N(3)-derivatives. All the products have been characterized by elemental analysis, IR, 1H-NMR and 13C-NMR. The plant-growth regulating effects of the title compounds were examined. From the biological activity results, we found that most compounds showed weak stimulatory activities at low concentrations.

Synthesis and Spectral Characterization of New S-Alkylated 1,2,4-Triazoles as Potential Biological Agents

2017 ◽  
Vol 68 (10) ◽  
pp. 2436-2439
Author(s):  
Stefania Felicia Barbuceanu ◽  
Laura Ileana Socea ◽  
Constantin Draghici ◽  
Elena Mihaela Pahontu ◽  
Theodora Venera Apostol ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Spectral Data ◽  
1H Nmr ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Ethyl Bromide ◽  
Spectral Characterization ◽  
Basic Medium ◽  
Phenacyl Bromide

In the work we presented the behavior of 5-(4-(4-X-phenylsulfonyl)phenyl)-4-(n-propyl)-2H-1,2,4-triazole-3(4H)-thiones (X= Cl or Br) with some alkylation agents. Thus, new S-alkylated 1,2,4-triazole derivatives were synthesized by reaction of the corresponding 1,2,4-triazole-3-thione derivatives with different �-halogenated compounds (ethyl bromide, ethyl chloroacetate or phenacyl bromide), in basic medium. The structures of synthesized compounds were elucidated by spectral data (1H-NMR, 13C-NMR, mass spectrometry) and elemental analysis.

Sign in / Sign up

Export Citation Format

Share Document