scholarly journals High resolution-1Н NMR spectroscopy of oral liquid in young patients with wedge-shaped lesions

2021 ◽  
Vol 18 (4) ◽  
pp. 20-25
Author(s):  
A. V. Mitronin ◽  
E. A. Srebnaya ◽  
V. I. Privalov ◽  
A. A. Prokopov
Keyword(s):  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
High Resolution ◽  
Nmr Spectra ◽  
Young Patients ◽  
Treatment Method ◽  
Spectra Analysis ◽  
Oral Rinse ◽  
Before And After ◽  
Oral Liquid

Aim. The comparison of saliva 1Н NMR spectra in patients with wedge-shaped lesions before and after treatment.Materials and methods. Saliva as a study material was taken from patients with wedge-shaped lesions before and after treatment. The treatment method was remineralizing therapy that included the use of the oral rinse containing zinchydroxyapatite. 1Н NMR spectroscopy was chosen as an investigation method.Results. In most cases it is noted that after treatment the content of propionic and butyric acids was on the rise in relation of acetic acid. Overall concentration of 1Н protons didn't change significantly.Conclusions. 1Н NMR spectra analysis shows organic acid distribution in oral liquid before and after treatment, which helps to evaluate its response.

Ultrafast high-resolution magic-angle-spinning NMR spectroscopy

The Analyst ◽  
2015 ◽  
Vol 140 (12) ◽  
pp. 3942-3946 ◽  
Author(s):  
Marion André ◽  
Martial Piotto ◽  
Stefano Caldarelli ◽  
Jean-Nicolas Dumez
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
Nmr Spectra ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Magic Angle ◽  
Solid Samples ◽  
Semi Solid ◽  
Angle Spinning

The acquisition of ultrafast high-resolution magic-angle spinning (HR-MAS) NMR spectra of semi-solid samples is demonstrated.

scholarly journals Achieving high resolution and optimizing sensitivity in spatial frequency encoding NMR spectroscopy: from theory to practice

2016 ◽  
Vol 18 (33) ◽  
pp. 22827-22839 ◽  
Author(s):  
Bertrand Plainchont ◽  
Daisy Pitoux ◽  
Ghanem Hamdoun ◽  
Jean-Michel Ouvrard ◽  
Denis Merlet ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
Spatial Frequency ◽  
Detailed Analysis ◽  
Nmr Spectra ◽  
Theory To Practice ◽  
Frequency Encoding

A detailed analysis of NMR spectra based on spatial frequency encoding is presented.

The Chemistry of Detrital Aluminum in Zeolites Studied by Multinuclear NMR Spectroscopy and Other Techniques

1987 ◽  
Vol 111 ◽  
Author(s):  
Richard H. Jarman
Keyword(s):  
Nmr Spectroscopy ◽  
Thermogravimetric Analysis ◽  
High Resolution ◽  
Nmr Spectra ◽  
Compositional Data ◽  
Analysis Data ◽  
State Of Charge ◽  
Zeolite Framework ◽  
Multinuclear Nmr Spectroscopy ◽  
Type Zeolite

AbstractHigh resolution 27Al NMR spectroscopy has been used to study the dealumination of the A-type zeolite ZK4. The aluminum removed from the lattice during calcination undergoes reversible changes in coordination when treated in acidic and basic media. 2 5 Si NMR spectroscopy reveals that the changes are confined to the detrital aluminum species and do not affect the zeolite framework. Thermogravimetric analysis data combined with compositional data available from 29Si NMR spectra have been used to probe the state of charge of the detrital aluminum species and the nature of defects present in the lattice.

scholarly journals Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods

2019 ◽  
pp. 3-11
Author(s):  
Vitaly E. Matulis ◽  
Ekaterina G. Ragoyja ◽  
Tatiyana V. Serebryanskaya ◽  
Yuri V. Grigoriev ◽  
Oleg A. Ivashkevich
Keyword(s):  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
Quantum Chemistry ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Structure And Properties ◽  
Chloride Complexes ◽  
Nmr Spectrum ◽  
Hydrolysis Of ◽  
Tetrazole Derivatives

It has been shown that the WP04 functional in combination with moderate basic sets 6-31G(d) and SDD allows to calculate characteristics of 1H NMR-spectrum of metal complexes with ligands based on tetrazole derivatives with high accuracy, which can be used to assign signals in the NMR-spectra. The process of hydrolysis of the isomeric platinum(II) chloride complexes with (2-isopropyltetrazol-5-yl)acetic acid has been investigated using the methods of quantum chemistry and NMR-spectroscopy. An explanation of the changes of signals in the 1H NMR-spectra of the considered complexes during their hydrolysis is given.

Suspension NMR Spectroscopy of Phosphines and Carbonylnickel Complexes Immobilized on Silica

1995 ◽  
Vol 50 (11) ◽  
pp. 1723-1728 ◽  
Author(s):  
K. D. Behringer ◽  
J. Bliimel
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
Nmr Spectra ◽  
Solvent Polarity ◽  
Mas Nmr ◽  
Solvent Viscosity ◽  
Alkyl Chains ◽  
High Resolution Nmr ◽  
Cp Mas Nmr ◽  
Nmr Signals

The 31P suspension NMR spectra o f silica-immobilized bifunctional phosphines and their di- and tricarbonylnickel complexes were recorded using conventional high resolution NMR equipment. The practical advantages of suspension NMR spectroscopy, as compared to 31P CP/MAS NMR spectroscopy, are discussed. General tendencies are demonstrated: The suspension NMR signals become broader with increasing solvent viscosity and decreasing solvent polarity. Phenyl groups as spacers lead to broader resonances than alkyl chains. The linewidths increase in the case of chelation.

scholarly journals Selective Bromocyclization of 5-Amino-4-Alkenyl-1,2,4-Triazole-3-Thione

2021 ◽  
Vol 12 (1) ◽  
pp. 498-507
Keyword(s):  
Acetic Acid ◽  
Dft Calculations ◽  
Nmr Spectra ◽  
Molecular Electrostatic Potential ◽  
Theoretical Calculations ◽  
Electron Localization ◽  
Spectra Analysis ◽  
Alternative Structures ◽  
Partial Charges ◽  
Electrophilic Agent

Here, we present a study on the regioselectivity cyclization of 5-amino-4-alkenyl-1,2,4-triazole-3-thiones. The presence of various nucleophilic centers causes the possibility of cyclization of an alkenyl fragment on different heteroatoms and the formation of a few alternative structures. Elemental bromine was utilized as an electrophilic agent, and two 6-(bromomethyl)-6-R-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine hydrobromide salts were obtained as the only products when taking reaction in chloroform, acetic acid, or acetonitrile. The 1H and 13C APT NMR spectra analysis proved the formation of the 1,3-thiazolinium ring upon cyclization reaction. DFT calculations at the ωB97X-D3/6-311G(d,p) level of theory were utilized to analyze molecular electrostatic potential, electron localization function, and Hirshfeld atomic partial charges the intermediate bromonium cation. These theoretical calculations explain the experimentally observed regioselectivity.

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