Search results for "Nuclear magnetic resonance"
showing 10 items of 1743 documents
From Mannose to Small Amphiphilic Polyol: Perfect Linearity Leads To Spontaneous Aggregation
2016
Terminally unsaturated and diastereochemically pure polyol derived from d-mannose shows spontaneous aggregation behavior in water solution. In order to study and clarify this unforeseen phenomenon, a conformational study based on NMR spectroscopy combined with ab initio structure analysis using the COSMO-solvation model was pursued. The results, together with X-ray diffraction studies, suggest a low energy linear conformation for this particular substrate both in solid states and in solution. For such small-sized acyclic carbohydrate derivatives, the linear conformation appears to be a key prerequisite for the unusual molecular self-assembly reported herein. peerReviewed
Wavelet data analysis of EXAFS spectra
2009
Abstract The application of wavelet transform to the analysis of the extended X-ray absorption fine structure (EXAFS) from perovskite-type compounds is presented on the example of the Re L 3 -edge in ReO 3 and Co K-edge in LaCoO 3 . We propose a modified wavelet transform procedure, which allows better discrimination of the overlapped contributions into the EXAFS signal.
Preparation of ferulic acid derivatives and evaluation of their xanthine oxidase inhibition activity.
2007
Several ferulic acid ethyl esters (3a-h) were synthesized under the Knoevengel reaction condition and they were further reduced to afford the respective allylic alcohol derivatives (4a-g). Some of them were evaluated for the xanthine oxidase (XO) inhibitory activity. Among them, 3h exhibited a significant inhibitory activity with an IC50 value of 1.35 x 10(-5) M, while the IC50 value of allopurinol used as the positive control was 1.49 x 10(-5) M. The study suggested that the higher acidity of the phenolic OH group in the ferulic acid derivatives might result in improved XO inhibitory activity.
Shine bright or live long: substituent effects in [Cu(N^N)(P^P)]+-based light-emitting electrochemical cells where N^N is a 6-substituted 2,2'-bipyri…
2016
We report [Cu(P^P)(N^N)][PF6] complexes with P^P = bis(2-(diphenylphosphino)phenyl)ether (POP) or 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (xantphos) and N^N = 6-methyl-2,2′-bipyridine (Mebpy), 6-ethyl-2,2′-bipyridine (Etbpy), 6,6′-dimethyl-2,2′-bipyridine (Me2bpy) or 6-phenyl-2,2′-bipyridine (Phbpy). The crystal structures of [Cu(POP)(Phbpy)][PF6]·Et2O, [Cu(POP)(Etbpy)][PF6]·Et2O, [Cu(xantphos)(Me2bpy)][PF6], [Cu(xantphos)(Mebpy)][PF6]·CH2Cl2·0.4Et2O, [Cu(xantphos)(Etbpy)][PF6]·CH2Cl2·1.5H2O and [Cu(xantphos)(Phbpy)][PF6] are described; each copper(I) centre is distorted tetrahedral. In the crystallographically determined structures, the N^N domain in [Cu(xantphos)(Phbpy)]+ and [Cu(…
LOW DOSE CHARACTERIZATION OF FRICKE GEL DOSIMETERS BY OPTICAL ABSORBANCE AND MR RELAXATION METHODS
2016
Introduction Fricke gel dosimeters allow measurements of 3D dose distributions and can be an effective tool for dosimetry verifications in radiotherapy. Various authors have reported drawbacks of the gels affecting the accuracy in case of low dose measurements. Purpose This study aims at investigating such drawbacks and at establishing the conditions for an optimal use of the gels. Materials and methods Our dosimeters consist of gels infused with a Fricke ferrous sulphate solution combined with xylenol orange (XO). Two kinds of xylenol orange (XO) and two different gelling agents (gelatin from porcine skin and Agarose) were utilized. Gels are red out by light absorption techniques: images o…
Yield behavior of magnetorheological suspensions
2003
The rheology of suspensions containing magnetic particles of micrometer size is strongly modified by the application of a magnetic field. We first describe a model experiment where the suspension is made of spheres of millimeter size and we show that the experimental dependence of the yield stress is well predicted by a non-affine model where the chains of particles break in the middle. Then we compare these predictions with some experimental results obtained on suspensions of carbonyl iron; it is shown that this model does not apply in this case. We propose a mechanism where after some friction on the walls the aggregates begin to rotate and break at a strain smaller than unity, due to the…
Polarization transfer via field sweeping in parahydrogen-enhanced nuclear magnetic resonance.
2019
<div><br></div><div><table><tr><td>We show that in a spin system of two magnetically inequivalent protons coupled to a heteronucleus such as 13C, an adiabatic magnetic field sweep, passing through zero field, transfers proton singlet order into magnetization of the coupled heteronucleus. This effect is potentially useful in parahydrogen-enhanced nuclear magnetic resonance, and is demonstrated on singlet-hyperpolarized [1-13C]maleic acid, which is prepared via the reaction between [1-13C]acetylene dicarboxylic acid and para-enriched hydrogen gas. The magnetic field sweeps are of microtesla amplitudes, and have durations on the order of seconds. We sh…
Zirconium and hafnium complexes of the thio(bisphenolato) ligand: synthesis, structural characterization and testing as 1-hexenepolymerizationcatalys…
2009
Thio(bisphenolato) complexes of the type [M2(mu-tbop-kappa3O,S,O)2Cl4] [M = Zr 1, Hf 2 and tbop = 2,2-thiobis{4-(1,1,3,3-tetramethyl-butyl)phenolate}] were prepared by HCl elimination from tbopH2 and MCl4. Substitution of the chlorides in 1 and 2 by 2,6-diisopropylphenolato groups (dipp) generates new compounds [M2(mu-tbop-kappa3O,S,O)2(dipp)4] (M = Zr 3, Hf 4). The structures of 1-4 were confirmed by NMR spectroscopy; complexes 3 and 4 were further investigated by X-ray crystallography. These studies showed 1-4 to be dimers either in the solid state or in solution and to have metal centers adopting distorted octahedral geometry. However treatment of MCl4 with [Al2(mu-OEt)2(tbop-kappa3O,S,O…
Experimental and numerical enhancement of Vibrational Resonance in a neural circuit
2012
International audience; A neural circuit exactly ruled by the FitzHugh-Nagumo equations is excited by a biharmonic signal of frequencies f and F with respective amplitudes A and B. The magnitude spectrum of the circuit response is estimated at the low frequency driving f and presents a resonant behaviour versus the amplitude B of the high frequency. For the first time, it is shown experimentally that this Vibrational Resonance effect is much more pronounced when the two frequencies are multiple. This novel enhancement is also confirmed by numerical predictions. Applications of this nonlinear effect to the detection of weak stimuli are finally discussed.
Multispectrum fits for line mixing in the ν3 band Q branch of methane
2003
International audience; First-order line-mixing coefficients and model relaxation matrix element scaling factors have been obtained for allowed transitions in the nu3 band Q branch of CH4 broadened by H2, He, N2, O2, Ar, and CH4. The broadening, shifting, Dicke-narrowing, and line-mixing parameters are determined by simultaneous least-squares fitting of spectra at pressures from 0.014 to 66.66 kPa recorded with a high-resolution difference-frequency laser. These results confirm, improve, and extend a previous analysis of the lower pressure (613.3 kPa) data [A.S. Pine, J. Chem. Phys. 97 (1992) 773] which yielded averaged coefficients of individually fit spectra where adjacent broadened lines…