94 research outputs found
Static and Dynamical Susceptibility of LaO1-xFxFeAs
The mechanism of superconductivity and magnetism and their possible interplay
have recently been under debate in pnictides. A likely pairing mechanism
includes an important role of spin fluctuations and can be expressed in terms
of the magnetic susceptibility chi. The latter is therefore a key quantity in
the determination of both the magnetic properties of the system in the normal
state, and of the contribution of spin fluctuations to the pairing potential. A
basic ingredient to obtain chi is the independent-electron susceptibility chi0.
Using LaO1-xFxFeAs as a prototype material, in this report we present a
detailed ab-initio study of chi0(q,omega), as a function of doping and of the
internal atomic positions. The resulting static chi0(q,0) is consistent with
both the observed M-point related magnetic stripe phase in the parent compound,
and with the existence of incommensurate magnetic structures predicted by
ab-initio calculations upon doping.Comment: 15 pages, 8 figure
Petals of Crocus sativus L. as a potential source of the antioxidants crocin and kaempferol.
Collaboration between Leicester School of Pharmacy - De Montfort Universit, Department of Life, Health and Environmental Sciences - University of L'Aquila, and Department of Biochemistry and Biotechnology - University of Thessaly
The file attached to this record is the author's final peer reviewed version. The Publisher's final version can be found by following the DOI link.Saffron fromthe province of L'Aquila, in the Abruzzo region of Italy, is highly prized and has been awarded a formal recognition by the European Union with EU Protected Designation of Origin (PDO) status. Despite this, the saffron regions are abandoned by the younger generations because the traditional cultivation of saffron (Crocus sativus L.) is labour intensive and yields only one crop of valuable saffron stamens per year. Petals of
the saffron Crocus have had additional uses in traditional medicine and may add value to the crops for local farmers. This is especially important because the plant only flowers between October andNovember, and farmers will need to make the best use of the flowers harvested in this period. Recently, the petals of C. sativus L., which are considered a wastematerial in the production of saffron spice,were identified as a potential source of natural antioxidants. The antioxidants crocin and kaempferol were purified by flash column chromatography, and identified by thin layer chromatography (TLC), HPLCâDAD, infrared (IR), and nuclear magnetic resonance (1H & 13C NMR) spectroscopy. The antioxidant activity was determined with the ABTS and DPPH tests. The antioxidant activities are
mainly attributed to carotenoid and flavonoid compounds, notably glycosides of crocin and kaempferol. We found in dried petals 0.6% (w/w) and 12.6 (w/w) of crocin and kaempferol, respectively. Petals of C. sativus L. have commercial potential as a source for kaempferol and crocetin glycosides, natural compounds with antioxidant activity that are considered to be the active ingredients in saffron-based herbal medicine
Electric fields and valence band offsets at strained [111] heterojunctions
[111] ordered common atom strained layer superlattices (in particular the
common anion GaSb/InSb system and the common cation InAs/InSb system) are
investigated using the ab initio full potential linearized augmented plane wave
(FLAPW) method. We have focused our attention on the potential line-up at the
two sides of the homopolar isovalent heterojunctions considered, and in
particular on its dependence on the strain conditions and on the strain induced
electric fields. We propose a procedure to locate the interface plane where the
band alignment could be evaluated; furthermore, we suggest that the
polarization charges, due to piezoelectric effects, are approximately confined
to a narrow region close to the interface and do not affect the potential
discontinuity. We find that the interface contribution to the valence band
offset is substantially unaffected by strain conditions, whereas the total band
line-up is highly tunable, as a function of the strain conditions. Finally, we
compare our results with those obtained for [001] heterojunctions.Comment: 18 pages, Latex-file, to appear in Phys.Rev.
In vitro biocompatibility of a new hydrogel with Crocin, powerful antioxidant found in Crocus Sativus L. flowers
Recently, attention has been paid to the identification of natural antioxidants from the petals of Crocus S. flowers that are normally considered waste[1]. The antioxidant activities are mainly attributed to carotenoid compounds, like crocin. ScientiïŹc evidences demonstrate that this kind of compounds are among the most important natural plant sources of antioxidant activity in the human diet, protecting the body against damages caused by reactive oxygen species (ROS). This antioxidant was extracted using methanol and ethanol. In this experiment, it was used a new hydrogel consisting of three polymers - Polyvinyl pyrrolidone (PVP), Agar and Polyethylene glycol (PEG) â and Crocin, mixed, reticulated and then sterilized by gamma irradiation at 25 kGy. For the in vitro experimental protocol, it was used a primary culture of fibroblasts taken from the subcutaneous tissue of a newborn mice, seeding the cells on a little square (1cm2 area) of both kinds of hydrogel. As the ISO protocol prescribes, the experiments were repeated 3 times for each kind of hydrogel, stopping the culture at the 3rd, 7th and 14th day after the seeding. For all steps, 3 Petri dishes were used as controls without biomaterials. At fixed deadline, all Petri dishes were stained, using the Wright method for cell counting and morphological evaluations. The microscopic analysis revealed the complete biocompatibility of the hydrogel. The Petri dishes with this kind of new hydrogel has an overproduction of collagen from the fibroblasts. The presence of this natural important compound in saffron petals, now offers new possibilities for the best use of the hole flower. This study is still in progress.http://www.fupress.net/index.php/ijae/article/view/1495
Optical study of the electronic phase transition of strongly correlated YbInCu_4
Infrared, visible and near-UV reflectivity measurements are used to obtain
conductivity as a function of temperature and frequency in YbInCu_4, which
exhibits an isostructural phase-transition into a mixed-valent phase below
T_v=42 K. In addition to a gradual loss of spectral weight with decreasing
temperature extending up to 1.5 eV, a sharp resonance appears at 0.25 eV in the
mixed-valent phase. This feature can be described in terms of excitations into
the Kondo (Abrikosov-Suhl) resonance, and, like the sudden reduction of
resistivity, provides a direct reflection of the onset of coherence in this
strongly correlated electron system.Comment: 4 pages, 3 figures (to appear in Phys. Rev. B
SrVOFeAs: A Nanolayered Bimetallic Iron Pnictide Superconductor
One of the unifying concepts in the iron-pnictide superconductors, both for
the mechanism of magnetic ordering and of unconventional order parameter
character, has been the electron and hole Fermi surfaces that are approximately
nested. Using the density functional methods that have predicted Fermi surfaces
correctly in SrFeP, we find that the recently reported superconducting
SrVOFeAs, with =37 K and no apparent competition between magnetism
and superconductivity, possesses different Fermi surface geometry and character
than previous classes of iron pnictides. The intervening layer (a V bilayer)
gives rise to bands that cross the Fermi level. Coupling to the FeAs layer is
small except for interaction along the zone boundary, however that coupling
degrades the Fermi surface nesting. SrVOFeAs, with its alternating
layers of open shell atoms, deserves further close study that should help to
understand the origin of the properties of iron pnictide compounds.Comment: 6 pages and 4 embedded figure
Towards New Half-Metallic Systems: Zinc-Blende Compounds of Transition Elements with N, P, As, Sb, S, Se, and Te
We report systematic first-principles calculations for ordered zinc-blende
compounds of the transition metal elements V, Cr, Mn with the sp elements N, P,
As, Sb, S, Se, Te, motivated by recent fabrication of zinc-blende CrAs, CrSb,
and MnAs. They show ferromagnetic half-metallic behavior for a wide range of
lattice constants. We discuss the origin and trends of half-metallicity,
present the calculated equilibrium lattice constants, and examine the
half-metallic behavior of their transition element terminated (001) surfaces.Comment: 2nd Version: lattice constants calculations added, text revise
Electronic structure of the MO oxides (M=Mg, Ca, Ti, V) in the GW approximation
The quasiparticle band structures of nonmagnetic monoxides, MO (M=Mg, Ca, Ti,
and V), are calculated by the GW approximation. The band gap and the width of
occupied oxygen 2p states in insulating MgO and CaO agree with experimental
observation. In metallic TiO and VO, conduction bands originated from metal 3d
states become narrower. Then the partial densities of transition metal e_g and
t_2g states show an enhanced dip between the two. The effects of static
screening and dynamical correlation are discussed in detail in comparison with
the results of the Hartree-Fock approximation and the static Coulomb hole plus
screened exchange approximation. The d-d Coulomb interaction is shown to be
very much reduced by on-site and off-site d-electron screening in TiO and VO.
The dielectric function and the energy loss spectrum are also presented and
discussed in detail.Comment: 10 pages, 5 figure
Electronic and structural properties of superconducting MgB, CaSi and related compounds
We report a detailed study of the electronic and structural properties of the
39K superconductor \mgbtwo and of several related systems of the same family,
namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which
include zone-center phonon frequencies and transport properties, are performed
within the local density approximation to the density functional theory, using
the full-potential linearized augmented plane wave (FLAPW) and the
norm-conserving pseudopotential methods. Our results indicate essentially
three-dimensional properties for these compounds; however, strongly
two-dimensional -bonding bands contribute significantly at the Fermi
level. Similarities and differences between \mgbtwo and \bebtwo (whose
superconducting properties have not been yet investigated) are analyzed in
detail. Our calculations for \mgalbtwo show that metal substitution cannot be
fully described in a rigid band model. \casitwo is studied as a function of
pressure, and Be substitution in the Si planes leads to a stable compound
similar in many aspects to diborides.Comment: Revised version, Phys.Rev.B in pres
- âŠ