Search results for "Diffraction"
showing 10 items of 1584 documents
Using FOCUS to solve zeolite structures from three-dimensional electron diffraction data
2013
The programFOCUS[Grosse-Kunstleve, McCusker & Baerlocher (1997).J. Appl. Cryst.30, 985–995] was originally developed to solve zeolite structures from X-ray powder diffraction data. It uses zeolite-specific chemical information (three-dimensional 4-connected framework structure with known bond distances and angles) to supplement the diffraction data. In this way, it is possible to compensate, at least in part, for the ambiguity of the reflection intensities resulting from reflection overlap, and the program has proven to be quite successful. Recently, advances in electron microscopy have led to the development of automated diffraction tomography (ADT) and rotation electron diffraction (R…
Impact of the ΔPhe configuration on the Boc-Gly-ΔPhe-NHMe conformation: experiment and theory
2019
Conformational propensities of N-t-butoxycarbonyl-glycine-(E/Z)-dehydrophenylalanine N′-methylamides (Boc-Gly-(E/Z)-ΔPhe-NHMe) in chloroform were investigated by NMR and IR techniques. The low-temperature crystal structure of the E isomer was determined by single crystal X-ray diffraction and the experimental data were elaborated by theoretical calculations using DFT (B3LYP, M06-2X) and MP2 approaches. The β-turn tendencies for both isomers were determined in the gas phase and in the presence of solvent. The obtained results reveal that the configuration of ΔPhe residue significantly affects the conformations of the studied dehydropeptides. The tendency to adopt β-turn conformations is sign…
The influence of strain rate and presence of dispersed second phases on the deformation behaviour of polycrystalline D2O ice
2018
ABSTRACTThis contribution discusses results obtained from 3-D neutron diffraction and 2-D fabric analyser in situ deformation experiments on laboratory-prepared polycrystalline deuterated ice and ice containing a second phase. The two-phase samples used in the experiments are composed of an ice matrix with (1) air bubbles, (2) rigid, rhombohedral-shaped calcite and (3) rheologically soft, platy graphite. Samples were tested at 10°C below the melting point of deuterated ice at ambient pressures, and two strain rates of 1 × 10−5 s−1 (fast) and 2.5 × 10−6 s−1 (medium). Nature and distribution of the second phase controlled the rheological behaviour of the ice by pinning grain boundary migratio…
Tilted phases of fatty acid monolayers
1995
X‐ray diffraction data from water‐supported monolayers of fatty acids with chain lengths from 19 to 22 is presented. The structures of the tilted mesophases L2’, L2, and Ov are characterized in detail. The contributions to the unit cell distortion from the tilt and the ordering of the backbone planes of the molecules are separated. It is shown that at the swiveling transition L2’–L2, not only the tilt azimuth but also the packing of the backbone planes change discontinuously. We demonstrate that the tilting transition LS–L2 is accompanied by the ordering of the backbone planes and may be discontinuous. Evidence is presented for a herringbone ordering transition within the L2 region. The dis…
All-fiber actively Q-switched Yb-doped laser
2006
Abstract An all-fiber actively Q-switched Yb-doped laser is presented. Q-switching is performed by modulating a fiber Bragg grating via a magnetostrictive rod which is fixed to the fiber at the position of the grating. By exposing the rod to a changing magnetic field, the rod is stretched and relaxed causing the Bragg wavelength of the grating to shift and thereby changes the Q-factor of the cavity. Using Yb-doped fiber, pulses at 1052 nm are obtained at repetition rates from 1 to 200 kHz. At 75 kHz, 0.5 μJ pulses with peak powers of 3 W can be produced when 180 mW of pump power is applied. To the knowledge of the authors, this is the first all-fiber actively Q-switched Yb-doped laser prese…
Fiber Ring Laser Operated by Dynamic Local Phase Shifting of a Chirped Grating
2009
An ultranarrow linewidth erbium-doped fiber ring laser is presented. It is based on the filtering properties of a phase-shifted chirped fiber Bragg grating, which is inserted inside the cavity of the laser. A dynamic control of the phase shifting, which is induced by a magnetostrictive transducer, permits both tunable continuous-wave and actively Q-switched operation. The use of a chirped grating overcomes the limitations imposed by the narrow spectra of uniform gratings observed in previously reported ring lasers based on intracavity transmission filters.
Q-switched all-fibre laser using a fibre-optic resonant acousto-optic modulator
2007
Abstract We report an actively Q-switched all-fibre laser using a fibre-optic resonant acousto-optic modulator as Q-switching element. The modulator consists of a short-length fibre Bragg grating modulated by a standing longitudinal elastic wave, being the grating length much shorter than the acoustic wavelength. Q-switch pulses were successfully obtained from an Er3+-doped fibre laser at repetition rates of 18 and 37 kHz.
The new 5- or 6-azapyrimidine and cyanuric acid derivatives of L-ascorbic acid bearing the free C-5 hydroxy or C-4 amino group at the ethylenic space…
2011
Abstract We report on the synthesis of the novel types of cytosine and 5-azacytosine (1–9), uracil and 6-azauracil (13–18) and cyanuric acid (19–22) derivatives of l -ascorbic acid, and on their cytostatic activity evaluation in human malignant tumour cell lines vs. their cytotoxic effects on human normal fibroblasts (WI38). The CD spectra analysis revealed that cytosine (5 and 6), uracil (14–16), 6-azauracil (17) and cyanuric acid (21) derivatives of l -ascorbic acid bearing free amino group at ethylenic spacer existed as a racemic mixture of enantiomers, whereas L-ascorbic derivatives containing the C-5 substituted hydroxy group at the ethylenic spacer were obtained in (4R, 5S) enantiomer…
Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.
2016
Thirteen new metabolites, including the polyoxygenated cyclohexene derivatives cleistodiendiol (1), cleistodienol B (3), cleistenechlorohydrins A (4) and B (5), cleistenediols A-F (6-11), cleistenonal (12), and the butenolide cleistanolate (13), 2,5-dihydroxybenzyl benzoate (cleistophenolide, 14), and eight known compounds (2, 15-21) were isolated from a MeOH extract of the leaves of Cleistochlamys kirkii. The purified metabolites were identified by NMR spectroscopic and mass spectrometric analyses, whereas the absolute configurations of compounds 1, 17, and 19 were established by single-crystal X-ray diffraction. The configuration of the exocyclic double bond of compound 2 was revised base…
The effect of water on protein dynamics
2004
Neutron diffraction and spectroscopy were applied to describe the hydration and dynamics of a soluble protein and a natural membrane from extreme halophilic Archaea. The quantitative dependence of protein motions on water activity was clearly illustrated, and it was established that a minimum hydration shell is required for the systems to access their functional resilience, i.e. a dynamics state that allows biological activity.