scholarly journals NMR Spectroscopy as a Tool for Studying Asphaltene Composition

2019 ◽  
Vol 92 (3) ◽  
pp. 323-329 ◽  
Author(s):  
Jelena Parlov Vuković ◽  
Predrag Novak ◽  
Tomislav Jednačak
Keyword(s):  
Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Analytical Techniques ◽  
Complex Mixtures ◽  
Aggregation Process ◽  
Molecular Architecture ◽  
Valuable Data ◽  
Molecular Weights ◽  
Nmr Techniques ◽  
Oil Components

Asphaltenes are the most polar oil components with molecular weights between 500 and 1000 Da, which primarily consist of carbons and hydrogens, some heteroatoms, such as nitrogen, sulphur, oxygen and traces of nickel, vanadium and iron. Owing to their extreme complexity, it is almost impossible to completely identify all the compounds present in asphaltene samples. Various analytical techniques and approaches were used to characterize asphaltenes but their structure and composition are still a matter of thorough investigations. NMR spectroscopy can reveal useful information on asphaltene molecular architecture and aggregation process. In that respect, one- and two-dimensional NMR techniques have widely been employed. Although NMR spectra of these complex mixtures are difficult to interpret, they still can provide valuable data, especially in combination with statistical methods. Some distinctive examples of using NMR spectroscopy to study asphaltenes are given in this review.

Disentangling Complex Mixtures of Compounds with Near-Identical1H and13C NMR Spectra using Pure Shift NMR Spectroscopy

2015 ◽  
Vol 21 (21) ◽  
pp. 7682-7685 ◽  
Author(s):  
Laura Castañar ◽  
Raquel Roldán ◽  
Pere Clapés ◽  
Albert Virgili ◽  
Teodor Parella
Keyword(s):  
Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Complex Mixtures

scholarly journals NMR Spectroscopy for Metabolomics Research

Metabolites ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 123 ◽  
Author(s):  
Abdul-Hamid Emwas ◽  
Raja Roy ◽  
Ryan T. McKay ◽  
Leonardo Tenori ◽  
Edoardo Saccenti ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Large Scale ◽  
Analytical Techniques ◽  
Advantages And Disadvantages ◽  
Nmr Techniques ◽  
Tissue Specimens ◽  
High Level ◽  
Lower Limits

Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the three principal analytical techniques used in metabolomics (the other two being gas chromatography coupled to mass spectrometry (GC-MS) and liquid chromatography coupled with single-stage mass spectrometry (LC-MS)). The relative ease of sample preparation, the ability to quantify metabolite levels, the high level of experimental reproducibility, and the inherently nondestructive nature of NMR spectroscopy have made it the preferred platform for long-term or large-scale clinical metabolomic studies. These advantages, however, are often outweighed by the fact that most other analytical techniques, including both LC-MS and GC-MS, are inherently more sensitive than NMR, with lower limits of detection typically being 10 to 100 times better. This review is intended to introduce readers to the field of NMR-based metabolomics and to highlight both the advantages and disadvantages of NMR spectroscopy for metabolomic studies. It will also explore some of the unique strengths of NMR-based metabolomics, particularly with regard to isotope selection/detection, mixture deconvolution via 2D spectroscopy, automation, and the ability to noninvasively analyze native tissue specimens. Finally, this review will highlight a number of emerging NMR techniques and technologies that are being used to strengthen its utility and overcome its inherent limitations in metabolomic applications.

Polymerization of 1-hexene catalyzed by Cp*TiMe3-B(C6F5)3; a mechanistic and structural study

2001 ◽  
Vol 79 (5-6) ◽  
pp. 1012-1018 ◽  
Author(s):  
Michael C Murray ◽  
Michael C Baird
Keyword(s):  
Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Monomer Unit ◽  
Gel Permeation Chromatography ◽  
Active Species ◽  
Methyl Groups ◽  
Molecular Weights ◽  
H Nmr ◽  
Gel Permeation ◽  
Cp Ti

Solutions of the Ziegler–Natta system Cp*TiMe3 – B(C6F5)3 in toluene catalyze the polymerization of 1-hexene to mixtures of atactic poly-1-hexenes and complex oligomeric materials, which were characterized by 1H and 13C{1H} NMR spectroscopy and gel permeation chromatography (GPC). The polymer molecular weights and the relative proportions of polymers and oligomers vary with temperature, monomer:catalyst ratios, and degree of dilution and may generally be rationalized in terms of a conventional Ziegler–Natta mechanism. The 13C{1H} NMR spectra of the polymers exhibit resonances suggesting significant degrees of 2,1-insertions during propagation, while experiments utilizing Cp*Ti(13CH3)3 verify that initiation in toluene involves predominantly via 1,2-insertion of the first monomer unit but that 2,1-insertions occur up to 15–20% of the time in CH2Cl2. NMR experiments involving Cp*Ti(13CH3)3 demonstrate that both methyl groups in the presumed active species Cp*TiMe+2 are incorporated into polymerKey words: titanium, polymers, polymerization, Ziegler–Natta

scholarly journals Ultrafast double-quantum NMR spectroscopy

2015 ◽  
Vol 51 (2) ◽  
pp. 354-357 ◽  
Author(s):  
Adrien Le Guennec ◽  
Patrick Giraudeau ◽  
Stefano Caldarelli ◽  
Jean-Nicolas Dumez
Keyword(s):  
Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Complex Mixtures ◽  
Double Quantum

The acquisition of double-quantum NMR spectra in less than three seconds is demonstrated and the synergies between double-quantum and ultrafast NMR spectroscopy for the analysis of complex mixtures are illustrated.

NMR spectroscopic investigation of p-substituted 2,4,4,6-tetraphenyl-1,4-dihydropyridines and their oxa and thia analogues

1989 ◽  
Vol 54 (7) ◽  
pp. 1854-1869 ◽  
Author(s):  
Marián Schwarz ◽  
Petr Trška ◽  
Josef Kuthan
Keyword(s):  
Nmr Spectroscopy ◽  
Trifluoroacetic Acid ◽  
Spectroscopic Investigation ◽  
Nmr Spectra ◽  
Dynamic Equilibrium

The 1H, 13C and 19F NMR spectra of photochromic p-substituted 2,4,4,6-tetraphenyl-1,4-dihydropyridines IIa-IIg, 1-methyl-2,4,4,6-tetraphenyl-1,4-dihydropyridines IIIa-IIIg, 2,4,4,6-tetraphenyl-4H-pyrans IVa-IVh, and 2,4,4,6-tetraphenyl-4H-thiopyran V were inspected; it was found that compounds IIa-IIg occur in a dynamic equilibrium with their dihydro tautomer VIa-VIg. Also deuteriodeprotonation of IIa and IIIa and their reaction with trifluoroacetic acid were investigated by NMR spectroscopy.

Unusual Rearrangement of Naphthalene in the Synthesis of a Novel B8-B8-Bridged Derivative in the [(1,2-C2B9H11)2-3-Co]- Series. X-Ray Structure and 11B NMR Spectra of [8,8'-μ-(CH2-C9H6)-(1,2-C2B9H10)2-3-Co]- (CH3)4N+

1997 ◽  
Vol 62 (5) ◽  
pp. 746-751 ◽  
Author(s):  
Andreas Franken ◽  
Jaromír Plešek ◽  
Christiane Nachtigal
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Nucleophilic Substitution ◽  
Nmr Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Unusual Rearrangement ◽  
Multinuclear Nmr Spectroscopy ◽  
11B Nmr ◽  
Isolated Compound

On treatment of the [(1,2-C2B9H11)2Co]- ion with naphthalene in presence of AlCl3 a remarkably bridged [8,8'-μ-(CH2-C9H6)-(1,2-C2B9H10)2-3-Co]- ion is obtained as a single isolated compound. The triatomic -CH2-C9H6- bridge is derived from the rearranged naphthalene nucleus. The mechanism of this reaction is obscure but it does resemble the "Electrophile-Induced Nucleophilic Substitution" reported earlier. The structure of the compound was established by multinuclear NMR spectroscopy and by single crystal X-ray diffraction.

IR and 13C, 17O, and 119Sn NMR spectra of some bis(1-butyl)tin(IV) carboxylates of dicarboxylic acids

1991 ◽  
Vol 56 (9) ◽  
pp. 1908-1915 ◽  
Author(s):  
Jaroslav Holeček ◽  
Antonín Lyčka ◽  
Milan Nádvorník ◽  
Karel Handlíř
Keyword(s):  
Infrared Spectroscopy ◽  
Nmr Spectroscopy ◽  
Dicarboxylic Acid ◽  
Nmr Spectra ◽  
Dicarboxylic Acids ◽  
119Sn Nmr ◽  
Carboxylic Groups ◽  
Cyclic Oligomers ◽  
The Media ◽  
Oxygen Atoms

Infrared spectroscopy and multinuclear (13C, 17O, and 119Sn NMR spectroscopy have been used to study the structure of bis(1-butyl)tin(IV) carboxylates of dicarboxylic acids (1-C4H9)2. Sn(X(COO)2), where X = (CH2)n (n = 0-8), CH=CH (cis and trans) and C6H4 (ortho and para).The crystalline compounds are formed by linear or cyclic oligomers or polymers whose basic building units represent a grouping composed of the central tin atom substituted by two 1-butyl groups and coordinated with both oxygen atoms of two anisobidentate carboxylic groups derived from different molecules of a dicarboxylic acid. The environment of the tin atom has a shape of a trapezoidal bipyramid. When dissolvet in non-coordinating solvents, the compounds retain the oligomeric character with unchanged structure of environment of the central tin atom. In the media of coordinating solvents the bis(1-butyl)tin(IV) carboxylates of dicarboxylic acids form complexes whose central hexacoordinated tin atom binds two molecules of the solvent trough their donor atoms. Carboxylic groups form monodenate linkages in these complexes.

scholarly journals Mesoscopic simulations of the in situ NMR spectra of porous carbon based supercapacitors: Electronic structure and adsorbent reorganisation effects

2021 ◽  
Author(s):  
Anagha Sasikumar ◽  
Anouar Belhboub ◽  
Camille Bacon ◽  
Alexander C. Forse ◽  
John Griffin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Nmr Spectroscopy ◽  
Molecular Species ◽  
Porous Carbon ◽  
Nmr Spectra ◽  
Charge Storage ◽  
In Situ Nmr Spectroscopy ◽  
In Situ Nmr ◽  
Carbon Based

In situ NMR spectroscopy is a powerful technique to investigate charge storage mechanisms in carbon-based supercapacitors thanks to its ability to distinguish ionic and molecular species adsorbed in the porous...

Targeted projection NMR spectroscopy for unambiguous metabolic profiling of complex mixtures

2010 ◽  
Vol 48 (9) ◽  
pp. 727-733 ◽  
Author(s):  
Clément Pontoizeau ◽  
Torsten Herrmann ◽  
Pierre Toulhoat ◽  
Bénédicte Elena-Herrmann ◽  
Lyndon Emsley
Keyword(s):  
Nmr Spectroscopy ◽  
Metabolic Profiling ◽  
Complex Mixtures

E-Homolupane Derivatives Substituted in Position 17 and 22a. 1H NMR, 13C NMR and IR Spectra

1995 ◽  
Vol 60 (4) ◽  
pp. 619-635 ◽  
Author(s):  
Václav Křeček ◽  
Stanislav Hilgard ◽  
Miloš Buděšínský ◽  
Alois Vystrčil
Keyword(s):  
Nmr Spectra ◽  
2D Nmr ◽  
Coupling Constants ◽  
Side Chain ◽  
Oxidation Reactions ◽  
H Nmr ◽  
Complete Assignment ◽  
Nmr Techniques ◽  
Intramolecular Association ◽  
C Nmr

A series of derivatives with various oxygen functionalities in positions 17,22a or 19,20 was prepared from diene I and olefin XVI by addition and oxidation reactions. The structure of the obtained compounds was confirmed by 1H NMR, 13C NMR and IR spectroscopy. The kind of intramolecular association of the 17α-hydroxy group was studied in connection with modification of the side chain and substitution in position 22a. Complete assignment of the hydrogen signals and most of the coupling constants was accomplished using a combination of 1D and 2D NMR techniques. The 1H and 13C NMR spectra are discussed.

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