127 research outputs found
Puckering Free Energy of Pyranoses: an NMR and Metadynamics--Umbrella Sampling Investigation
We present the results of a combined metadynamics--umbrella sampling
investigation of the puckered conformers of pyranoses described using the
gromos 45a4 force field. The free energy landscape of Cremer--Pople puckering
coordinates has been calculated for the whole series of alpha and beta
aldohexoses, showing that the current force field parameters fail in
reproducing proper puckering free energy differences between chair conformers.
We suggest a modification to the gromos 45a4 parameter set which improves
considerably the agreement of simulation results with theoretical and
experimental estimates of puckering free energies. We also report on the
experimental measurement of altrose conformers populations by means of NMR
spectroscopy, which show good agreement with the predictions of current
theoretical models
Inverse Proximity Effects at Spin-Triplet Superconductor-Ferromagnet Interface
We investigate inverse proximity effects in a spin-triplet superconductor
(TSC) interfaced with a ferromagnet (FM), assuming different types of magnetic
profiles and chiral or helical pairings. The region of the coexistence of
spin-triplet superconductivity and magnetism is significantly influenced by the
orientation and spatial extension of the magnetization with respect to the spin
configuration of the Cooper pairs, resulting into clearcut anisotropy
signatures. A characteristic mark of the inverse proximity effect arises in the
induced spin-polarization at the TSC interface. This is unexpectedly stronger
when the magnetic proximity is weaker, thus unveiling immediate detection
signatures for spin-triplet pairs. We show that an anomalous magnetic proximity
can occur at the interface between the itinerant ferromagnet, SrRuO, and
the unconventional superconductor SrRuO. Such scenario indicates the
potential to design characteristic inverse proximity effects in experimentally
available SrRuO-SrRuO heterostructures and to assess the occurrence
of spin-triplet pairs in the highly debated superconducting phase of
SrRuO.Comment: 11 pages, 6 figure
Scale-Free model for governing universe dynamics
We investigate the effects of scale-free model on cosmology, providing, in
this way, a statistical background in the framework of general relativity. In
order to discuss properties and time evolution of some relevant universe
dynamical parameters (cosmographic parameters), such as (Hubble
parameter), (deceleration parameter), (jerk parameter) and
(snap parameter), which are well re-defined in the framework of scale-free
model, we analyze a comparison between WMAP data. Hence the basic purpose of
the work is to consider this statistical interpretation of mass distribution of
universe, in order to have a mass density dynamics, not inferred from
Friedmann equations, via scale factor . This model, indeed, has been used
also to explain a possible origin and a viable explanation of cosmological
constant, which assumes a statistical interpretation without the presence of
extended theories of gravity; hence the problem of dark energy could be
revisited in the context of a classical probability distribution of mass, which
is, in particular, for the scale-free model, , with
. The CDM model becomes, with these considerations, a
consequence of the particular statistics together with the use of general
relativity.Comment: 7 pages, 4 figure
Interdiffusion-driven synthesis of tetragonal chromium (III) oxide on BaTiO3
Interfaces play a crucial role in the study of novel phenomena emerging at heterostructures comprising metals and functional oxides. For this reason, attention should be paid to the interface chemistry, which can favor the interdiffusion of atomic species and, under certain conditions, lead to the formation of radically different compounds with respect to the original constituents. In this work, we consider Cr/BaTiO3 heterostructures grown on SrTiO3(100) substrates. Chromium thin films (1–2 nm thickness) are deposited by molecular beam epitaxy on the
BaTiO3 layer, and subsequently annealed in vacuum at temperatures ranging from 473 to 773 K. A disordered metallic layer is detected for annealing temperatures up to 573 K, whereas, at higher temperatures, we observe a progressive oxidation of chromium, which we relate to the thermally activated migration of oxygen from the substrate. The chromium oxidation state is +3 and the film shows a defective rocksalt structure, which grows lattice matched on the underlying BaTiO3 layer. One out of every three atoms of chromium is missing, producing an uncommon tetragonal phase with Cr2O3 stoichiometry. Despite the structural difference with respect to the ordinary corundum α-Cr2O3 phase, we demonstrate both experimentally and theoretically that the electronic properties of the two phases are, to a large extent, equivalent
TOpic: rare and special cases, the real "Strange cases"
Introduction: The bladder hernia represents approximately 1-3% of
all inguinal hernias, where patients aged more than 50 years have a
higher incidence (10%). Many factors contribute to the development of a bladder hernia,
including the presence of a urinary outlet obstruction causing chronic
bladder distention, the loss of bladder tone, pericystitis, the perivesical
bladder fat protrusion and the obesity
Comparison of Carbon Nutrition for Pathogenic and Commensal ,\u3cem\u3eEscherichia coli\u3c/em\u3e Strains in the Mouse Intestine
The carbon sources that support the growth of pathogenic Escherichia coli O157:H7 in the mammalian intestine have not previously been investigated. In vivo, the pathogenic E. coli EDL933 grows primarily as single cells dispersed within the mucus layer that overlies the mouse cecal epithelium. We therefore compared the pathogenic strain and the commensal E. coli strain MG1655 modes of metabolism in vitro, using a mixture of the sugars known to be present in cecal mucus, and found that the two strains used the 13 sugars in a similar order and cometabolized as many as 9 sugars at a time. We conducted systematic mutation analyses of E. coli EDL933 and E. coli MG1655 by using lesions in the pathways used for catabolism of 13 mucus-derived sugars and five other compounds for which the corresponding bacterial gene system was induced in the transcriptome of cells grown on cecal mucus. Each of 18 catabolic mutants in both bacterial genetic backgrounds was fed to streptomycin-treated mice, together with the respective wild-type parent strain, and their colonization was monitored by fecal plate counts. None of the mutations corresponding to the five compounds not found in mucosal polysaccharides resulted in colonization defects. Based on the mutations that caused colonization defects, we determined that both E. coli EDL933 and E. coli MG1655 used arabinose, fucose, and N-acetylglucosamine in the intestine. In addition, E. coli EDL933 used galactose, hexuronates, mannose, and ribose, whereas E. coli MG1655 used gluconate and N-acetylneuraminic acid. The colonization defects of six catabolic lesions were found to be additive with E. coli EDL933 but not with E. coli MG1655. The data indicate that pathogenic E. coli EDL933 uses sugars that are not used by commensal E. coli MG1655 to colonize the mouse intestine. The results suggest a strategy whereby invading pathogens gain advantage by simultaneously consuming several sugars that may be available because they are not consumed by the commensal intestinal microbiota
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