Search results for "NMR"
showing 10 items of 1575 documents
Sodium ions in model cheeses at molecular and macroscopic levels
2011
Chapitre suite à une communication à la '10th International Conference on the Application of Magnetic Resonance in Food Science' à Clermont-Ferrand (France), 13-15 septembre 2010.; International audience; The excessive consumption of sodium is one of the causes of nutritional related-health problems. The reduction of salt content without affecting technological and sensorial properties of foodstuffs is currently a challenge for the food industry1. There is a need to develop tools to quantify the “active” sodium ions in food products at molecular and macroscopic levels to better understand the in-mouth salt release. . . In this context, methods for the quantification of the bound fraction of…
Stabilization of unilamellar catanionic vesicles induced by β-cyclodextrins: A strategy for a tunable drug delivery depot.
2018
The limited stability of catanionic vesicles has discouraged their wide use for encapsulation and controlled release of active substances. Their structure can easily break down to form lamellar phases, micelles or rearrange into multilamellar vesicles, as a consequence of small changes in their composition. However, despite the limited stability, catanionic vesicles possess an attractive architecture, which is able to efficiently encapsulate both hydrophobic and hydrophilic molecules. Therefore, improving the stability of the vesicles, as well as the control on unilamellar structures, are prerequisites for their wider application range. This study focuses on the impact of β-cyclodextrins fo…
“Twin” phosphorous atoms of tetraethyl 2-methyl-piperyd-1-ylmethylenebisphosphonates
2007
Recently, bisaminophosphonates found applications as therapeutic agents for curing bone disorders. When trying to relate the structures of substituted piperid-1-ylmethylenebisphosphonic with their biological properties, non-typical findings that in 31P NMR spectra of 2-methyl-piperid-1-ylmethylenebisphosphonic and 2-ethyl-piperid-1-ylmethylenebisphosphonic acids, two separate singlets from each of the phosphonic groups were observed, while their analogues bearing substituent in position 3 exhibit only one signal. Their presence was explained by freezing of the molecular motions by strong hydrogen bonding between NH and P = O atoms. In this work, synthesis as well as spectroscopic and theore…
Sensitivity of 3He NMR parameters to the proximity of heterocyclic rings. The helium–furan dimer
2014
The potential of NMR technique in probing the interaction between a noble gas atom (used as a spectroscopic probe) and five-membered heterocyclic systems was theoretically studied. Selected 3He NMR parameters of free noble gas atom and its dimer were calculated using density functional theory with three functionals (M06-2X, CAM-B3LYP, and APFD), combined with dedicated polarization-consistent basis sets, and critically compared with theoretical high level calculations from the literature. The change of sotropic nuclear magnetic shielding of free noble gas atom in the presence of furan (3He placed above he middle of the ring and used as NMR probe) increased with its proximity to the heterocy…
Room temperature ionic liquids based on cationic porphyrin derivatives and tetrakis(pentafluorophenyl)borate anion
2011
A series of 11 low melting ionic liquids based on meso-substituted A3B -porphyrins and A2B2-porphyrins containing one or two pyridyl substituents have been synthesized in high yields. Three of them are liquids at room temperature. All these porphyrinic salts were characterized by1H NMR,19F NMR, MALDI-TOF mass spectrometry, elemental analysis and UV-visible spectroscopy. The thermal properties and conductivity values of these salt derivatives have been also measured. A specific conductivity value of up to 4 mS.cm-1could be obtained for a compound having the counter-anion B(C6F5)4-.
Lanthanide–saccharide chemistry: synthesis and characterisation of Ce(III)–saccharide complexes
2000
A series of nine Ce(III) complexes has been synthesised with seven different monosaccharides (D-glucose, D-fructose, D-galactose, D-mannose, L-sorbose, D-ribose and D-xylose) and two different disaccharides (D-maltose and L-lactose), and these have been characterised with various analytical, spectral, magnetic and electrochemical techniques. The NMR studies have highlighted some interesting features about the metal-ion-binding pattern of the saccharides. Some additional coordination has been proposed along with the chelating groups in the saccharide molecules, based on the shifts in 13C NMR spectra. On the other hand, solution absorption studies and solid-state magnetic susceptibilities hav…
<title>Ion and electron trapping: release and relaxation processes in fluoride crystals</title>
2001
The thermally stimulated relaxation (TSR) processes in CaF2, BaF2 and LiBaF3 crystals (X-ray irradiated at LNT or RT) have been investigated by means of the ionic conductivity, thermally stimulated (TS) ionic depolarization current (TSDC), TS current (TSC), TS luminescence (TSL) and thermal bleaching techniques. The ionic TSDC measurements evidence that under DC field fluorides accumulate large ionic space-charge (thermoelectric state is formed) as a result of the migrating anion interstitial and/or vacancy capture on defects. In the ionic conductivity region (290 - 650 K) the thermoelectric state anneals, and several wide and overlapping anionic TSDC peaks are detected. The ionic TSDC stag…
Carbon-13 chemical shifts of bicyclic compounds
1970
13C NMR absorption spectra of 50 bicyclic hydrocarbons, alcohols and ketones have been measured, in addition to some terpenes. The 13C chemical shifts are approximately additive for similar compounds and can be used for the determination of molecular structure; they differ for endo- and exo-isomers, just as in proton spectra. These quite regular and predictable 13C shift differences are much larger and are caused by the 1,4-nonbonded interaction between atoms heavier than hydrogen, not by magnetic anisotropy effects.
Synthesis, Characterization, and Electrochemistry of Open-Chain Pentapyrroles and Sapphyrins with Highly Electron-Withdrawing meso -Tetraaryl Substit…
2017
International audience; A series of open-chain pentapyrroles and sapphyrins with highly electron-withdrawing substituents (i.e., CN, CF3 , or CO2 Me) on the meso-phenyl rings was synthesized and characterized as to the spectral properties, protonation reactions, and electrochemistry in non-aqueous media. The investigated compounds are represented as (Ar)4 PPyH3 and (Ar)4 SapH3 where PPy and Sap correspond to the tri-anion of the open-chain pentapyrrole and sapphyrin, respectively, and Ar=p-CNPh, p-CF3 Ph, or p-CO2 MePh. UV/Vis and 1 H NMR spectroscopy as well as mass spectrometry data are given for the confirmation of the structures for the newly synthesized compounds. An X-ray structure fo…
1H NMR methodologies applied in the thermodynamic and structural characterization of organic supramolecular complexes
2021
Orientador: Anita Jocelyne Marsaioli Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Química Resumo: Nesta tese consiste no estudo de interações supramoleculares utilizando diferentes metodologias de Ressonância Magnética Nuclear de hidrogênio (RMN de 1H), tais como ROESY 1D, RMN-DOSY e RMN-STD. Os sistemas supramoleculares foram abordados em dois casos de estudo diferentes. O Capítulo I tem como objeto de estudo interações do fármaco Dapsona com diferentes carreadores de fármacos (ß-CD, SBE-ß-CD e lipossoma de EPC), com a finalidade de encontrar formulações nas quais a Dapsona seja mais solúvel. Os complexos binários e ternário formados foram determinadas por medidas de …