Search results for "NMR"
showing 10 items of 1575 documents
Multinuclear and Solid State NMR of Gels
2020
Over the past six decades, nuclear magnetic resonance spectroscopy has been an integral part of synthetic organic and organometallic chemistry, as well as biochemistry. Beyond solution state experiments, increasing developments have opened new avenues to study materials in their solid state. Between two extremes (i.e., solution and solid), there exist several other forms of materials, especially soft materials such as gels and liquid crystals. Traditionally gels have been studied using solution state NMR spectroscopic methods. However, the viscosity of complex viscoelastic fluids such as gels affects the molecular tumbling, which in turn affects the chemical shift anisotropy and dipolar and…
Preliminary magnetic resonance relaxometric analysis of Fricke gel dosimeters produced with polyvinyl alcohol and glutaraldehyde
2017
This work describes the preliminary analysis of Fricke gels dosimeters characterized by a new formulation making use of a matrix of polyvinyl alcohol cross-linked by adding glutaraldehyde and analyzed by means of nuclear magnetic resonance relaxometry. In previous optical studies, these gels have shown promising dosimetric features in terms of photon sensitivity and low diffusion of ferric ions produced after irradiation. In this work, we used a portable nuclear magnetic resonance relaxometer to measure the relaxation times (which are important for dosimetric applications) of these gel materials. For this purpose, we performed a study for optimizing the acquisition parameters with a nuclear…
NUCLEAR MAGNETIC RESONANCE RELAXOMETRY AND IMAGING FOR DOSIMETRY WITH AGAROSE FRICKE GEL
2016
Introduction: Fricke Xylenol Gel (FXG) dosimetric system is based on the radiation induced oxidation of ferrous to ferric ions. In this kind of gels it can occur that ferrous and ferric ions diffuse in the gel matrix. To preserve the spatial distribution of the dose from diffusion, Fricke gels must be undergoing measurement within a few hours of their irradiation. Thus, the spatial integrity of the dose distribution in the Fricke gel is maintained. The oxidation of ferrous ions also causes a reduction of the longitudinal nuclear magnetic relaxation time which can be measured by means of nuclear magnetic resonance (NMR) instrumentation. In this work we performed NMR relaxometry and MR imagin…
Spatial patterns of, and environmental controls on, soil properties at a riparianepaddock interface
2012
Abstract Riparian zones are prominent features of agricultural landscapes because they are the last point to intercept nutrients and sediments before they enter water bodies. We investigated the soil properties, nutrient dynamics and vegetation composition at the riparian–agriculture interface. Soil physicochemical and vegetation properties were spatially heterogeneous along the transition from the grazed paddock into the un-grazed and revegetated riparian zone. Soil C stocks varied considerably across the site, with values ranging from 2% in the paddock to 5% in the riparian zone. Using Bayesian model selection, a predictive model for total soil carbon was developed. By including soil mois…
Diorganotin(IV) complexes ofD-galacturonic acid: solid-state and solution-phase structural study
2003
Three diorganotin(IV) complexes of D-galacturonic acid (H2GalA; R = Me, n-Bu, Ph), two of which are new derivatives (R = Me, Ph), have been synthesized and their solid-state and solution-phase investigated by IR, Mossbauer, 1H, 13C and 119Sn NMR spectroscopy. The FTIR data suggest that H2GalA, in the dialkyltin derivatives, behaves as a dianionic ligand, coordinating the tin(IV) atom through an ester-type carboxylate and deprotonated alcoholic hydroxo groups, whereas a bridging carboxylate occurs in the diphenyltin(IV) complex. Octahedral and trigonal bipyramidal local geometries on tin(IV) atoms are proposed for dialkyltin(IV)GalA and diphenyltin(IV)GalA complexes respectively on the basis…
Iodine(I) and Silver(I) Complexes of Benzoimidazole and Pyridylcarbazole Derivatives
2021
The synthesis of iodine(I) complexes with either benzoimidazole or carbazole-derived sp 2 N -containing Lewis bases is described, as well as their corresponding silver(I) complexes. The addition of elemental iodine to the linear two-coordinate Ag(I) complexes produces iodine(I) complexes with a three-center four-electron (3c-4e) [N — I — N] + bond. The 1 H and 1 H- 15 N HMBC NMR studies unambiguously confirm the formation of the complexes in all cases via the [N — Ag — N] + → [N — I — N] + cation exchange, with the 15 N NMR chemical shift change between 94 to 111 ppm when compared to the free ligand. The single crystal X-ray crystallographic studies on four I + complexes revealed highly sym…
Very strong −N–X+⋯−O–N+ halogen bonds
2016
A new (-)N-X(+)(-)O-N(+) paradigm for halogen bonding is established by using an oxygen atom as an unusual halogen bond acceptor. The strategy yielded extremely strong halogen bonded complexes with very high association constants characterized in either CDCl3 or acetone-d6 solution by (1)H NMR titrations and in the solid-state by single crystal X-ray analysis. The obtained halogen bond interactions, RXB, in the solid-state are found to be in the order of strong hydrogen bonds, viz. RXB ≈ RHB.
Host-Guest Interactions of Sodiumsulfonatomethyleneresorcinarene and Quaternary Ammonium Halides : An Experimental-Computational Analysis of the Gues…
2020
The molecular recognition of nine quaternary alkyl- and aryl-ammonium halides (Bn) by two different receptors, Calkyl-tetrasodiumsulfonatomethyleneresorcinarene (An), were studied in solution using 1H NMR spectroscopy. Substitution of methylenesulfonate groups at 2-positions of resorcinol units resulted in an increase of cavity depth by ∼2.80 Å and a narrow cavity aperture compared to Calkyl-2-H-resorcinarenes. The effect of alkyl chain lengths on the endo-complexation, that is the ability to incorporate other than N-methyl chains inside the cavities, were investigated using ammonium cations of the type ⁺NH2(R1)(R2), (R1 = Me, Et, Bu, R2 = Bu, Ph, Bz ). The C−H⋯ interactions between guests …
Chiral gamma-lactones from Fusarium poae: enentiomeric ratios and sensory differentiation of cis-6-gamma-dodecenolactone enantiomers
1991
Chiral gamma-lactones from Fusarium poae: enentiomeric ratios and sensory differentiation of cis-6-gamma-dodecenolactone enantiomers
Salt release and perception in model cheeses are influenced by salt/fat contents, microstructure and salt mobility
2013
Introduction and objectivesThe health authorities recommend a reduction in salt (NaCl) and fat contents of foodstuff. Reducing such components without affecting acceptability is a major challenge, particularly because of the interactions with other ingredients such as aroma compounds. This study consisted in a multimodal approach to understand the effect of changes in composition of model cheeses on the mobility and release of sodium chloride, masticatory behaviour and saltiness perception.MethodologySix model cheeses have been formulated (three fat/protein contents, two NaCl contents). The rheological properties were analysed using uniaxial compression tests. Microstructure and homogeneity…