Renée Siegel

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The experimental factors influencing the enhancements achievable for the central NMR transition, m(I)=1/2-->m(I)=-1/2, of spin-3/2 and spin-5/2 nuclei in the solid state using hyperbolic secant, HS, pulses for population transfer are investigated. In the case of powder samples spinning at the magic angle, it is found that the spinning frequency, the(More)
A classification test was used to compare the results of digitizing chest radiographs with a linear diode array camera and a laser scanner. The ability of B readers to classify a pneumoconiosis test set from original radiographs and the digitized images was compared. The classification of profusion was impaired when images were digitized with the diode(More)
We present an experimental NMR, X-ray diffraction (XRD), and computational study of the supramolecular assemblies of two crystalline forms of Ciprofloxacin: one anhydrate and one hydrate forming water wormholes. The resonance assignment of up to 51 and 54 distinct (13)C and (1)H resonances for the hydrate is reported. The effect of crystal packing,(More)
We present a complete set of experimental approaches for the NMR assignment of powdered tripeptide glutathione at natural isotopic abundance, based on J-coupling and dipolar NMR techniques combined with (1)H CRAMPS decoupling. To fully assign the spectra, two-dimensional (2D) high-resolution methods, such as (1)H-(13)C INEPT-HSQC/PRESTO heteronuclear(More)
Two-dimensional (1)H homonuclear correlation NMR spectra of solids of biological interest have been recorded at high magnetic fields (14.1 and 18.8 T) and MAS rates up to 67 kHz, using RN(n)(nu) symmetry-based homonuclear recoupling and CRAMPS decoupling; this method affords exceptional spectral resolution and is well suited to probe (1)H-(1)H proximities(More)
The resistance of metal-organic frameworks towards water is a very critical issue concerning their practical use. Recently, it was shown for microporous MOFs that the water stability could be increased by introducing hydrophobic pendant groups. Here, we demonstrate a remarkable stabilisation of the mesoporous MOF Al-MIL-101-NH2 by postsynthetic modification(More)
51V magic angle spinning NMR was applied to the alpha(II), beta and gamma phases of VOPO4 at three magnetic field strengths (4.7, 7.1, and 11.7 T). The 51V quadrupole and chemical shift tensors were determined by iterative fitting of the NMR lineshapes at the three magnetic field strengths. The applicability of the method is illustrated by comparison with(More)
The performance of various high-resolution 1D (1)H CRAMPS pulse schemes at moderate and high static magnetic fields (400 MHz and 800 (1)H Larmor frequencies) and spinning rates up to 35 kHz, using state-of-the-art electronics is compared. The performance of the (1)H windowed acquisition decoupling schemes, wDUMBO, wPMLG3 and wSAM3 is investigated using(More)
Gold-phosphido-monolayer-protected clusters (MPCs) of 1-2-nm diameter, Au(x)(PR2)y, analogues of the well-known thiolate materials Au(x)(SR)y, were prepared by NaBH4 reduction of a mixture of HAuCl4.3H2O and a secondary phosphine PHR2 in tetrahydrofuran/water. In comparison to the Au-thiolate MPCs, fewer of the larger phosphido groups are required to cover(More)