The chemical shift difference, Δσ, between the methylene and hydroxyl protons in the high resolution 1 H nuclear magnetic resonance spectrum of ethylene glycol is shown to be pressure dependent. The equilibrium Δσ values for ethylene glycol are reported as a function of temperature and pressure between ambient conditions, 323 K and 2 kbar, respecti...
Published in Magnetic resonance in chemistry : MRC
A time-domain 1 H nuclear magnetic resonance relaxometry method was elaborated for the rapid microstructural characterization of mozzarella cheese. For this purpose, there is a strong need to know how the experimentally determined T2 relaxation time distribution can be related to specific constituents in mozzarella. In this study, a detailed invest...
Published in Magnetic resonance in chemistry : MRC
As interaction between proteins and polysaccharides is expected to change the average diffusion coefficient and the distribution width, it is believed that NMR diffusometry can be a useful tool to study and quantify the interaction between whey protein isolate (WPI) and low methoxyl pectin (LMP). For this purpose, the influence of pH, dry-heat-trea...
In this paper we introduce a new atomic Hardy space X1(gamma) adapted to the Gauss measure gamma, and prove the boundedness of the first order Riesz transform associated with the Ornstein-Uhlenbeck operator from X1(gamma) to L1(gamma). We also provide a new, short and almost self-contained proof of its weak-type (1,1).
A completely unsymmetrical porous organic cage was synthesised from a C2v symmetrical building block that was identified by a computational screen. The cage was formed through a 12-fold imine condensation of a tritopic C2v symmetric trialdehyde with a ditopic C2 symmetric diamine in a [4 + 6] reaction. The cage was rigid and microporous, as predict...
Motivation: Data processing is a key bottleneck for 1H NMR-based metabolic profiling of complex biological mixtures, such as biofluids. These spectra typically contain several thousands of signals, corresponding to possibly few hundreds of metabolites. A number of binning-based methods have been proposed to reduce the dimensionality of 1D 1H NMR da...
Published in Metabolomics
IntroductionDifferences in the metabolite profiles between serum and plasma are incompletely understood.ObjectivesTo evaluate metabolic profile differences between serum and plasma and among plasma sample subtypes.MethodsWe analyzed serum, platelet rich plasma (PRP), platelet poor plasma (PPP), and platelet free plasma (PFP), collected from 8 non-f...
Published in Magnetic resonance in chemistry : MRC
Accurate identification and quantification of human plasma metabolites can be challenging in crowded regions of the NMR spectrum with severe signal overlap. Therefore, this study describes metabolite spiking experiments on the basis of which the NMR spectrum can be rationally segmented into well-defined integration regions, and this for spectromete...
This study proposes a new correlation equation between surfactant diffusion coefficients and molecular mass using 2D DOSY H-1 NMR experiment. Indeed, DOSY is a suitable NMR technique to discriminate the different components in a mixture. Using Inverse Laplace Transform (ILT), all chemical shifts in the direct dimension are dispersed along the secon...
We investigate the combined effect of perdeuteration and fast magic-angle spinning on the resolution and sensitivity of proton-detected protein NMR spectra and on coherence lifetimes. With 60 kHz spinning of a microcrystalline alpha-spectrin SH3 sample at a field strength of 23 T, a regime is attained where there is no substantial difference in res...
