411 research outputs found
Amorphization induced by pressure: results for zeolites and general implications
We report an {\sl ab initio} study of pressure-induced amorphization (PIA) in
zeolites, which are model systems for this phenomenon. We confirm the
occurrence of low-density amorphous phases like the one reported by Greaves
{\sl et al.} [Science {\bf 308}, 1299 (2005)], which preserves the crystalline
topology and might constitute a new type of glass. The role of the zeolite
composition regarding PIA is explained. Our results support the correctness of
existing models for the basic PIA mechanim, but suggest that energetic, rather
than kinetic, factors determine the irreversibility of the transition.Comment: 4 pages with 3 figures embedded. More information at
http://www.icmab.es/dmmis/leem/jorg
Melting and Pressure-Induced Amorphization of Quartz
It has recently been shown that amorphization and melting of ice were
intimately linked. In this letter, we infer from molecular dynamics simulations
on the SiO2 system that the extension of the quartz melting line in the
metastable pressure-temperature domain is the pressure-induced amorphization
line. It seems therefore likely that melting is the physical phenomenon
responsible for pressure induced amorphization. Moreover, we show that the
structure of a "pressure glass" is similar to that of a very rapidly (1e+13 to
1e+14 kelvins per second) quenched thermal glass.Comment: 9 pages, 4 figures, LaTeX2
Oxygen permeation, thermal and chemical expansion of (La, Sr)(Fe, Ga)O3−δ perovskite membranes
International audienceDense ceramic membranes made from mixed conductors are interesting because of their potential applications formethane conversion into syngas (H2 and CO mixture). Such membranes need to present a low differential dimensional variation between the opposite faces submitted to a large gradient of oxygen partial pressure, in order to minimize mechanical stresses generated through the membrane thickness. Besides, high oxygen permeability is required for high methane reforming rate. La(1−x)SrxFe(1−y)GayO3−δ materials fulfil these two main requirements and were retained as membranes in catalytic membrane reactors (CMR). The variations of expansion and oxygen permeation of La(1−x)SrxFe(1−y)GayO3−δ perovskite materials with the partial substitution of lanthanum and iron cations, temperature and oxygen partial pressure, were studied. For low temperatures (800 ◦C), TEC, then dimensional stability of the membrane, and oxygen permeation of La(1−x)SrxFe(1−y)GayO3−δ materials, are significantly affected by Sr content and oxygen partial pressure. Ga has a stabilisation effect on the TEC and has no influence on oxygen permeation flux. A good compromise between dimensional stability and oxygen permeation of materials was found to be La0.7Sr0.3Fe0.7Ga0.3O3−δ compositio
High-Temperature Thermodynamic Properties Of Forsterite
The high-temperature thermodynamic properties of forsterite were reviewed in the light of a new determination of the isobaric heat capacity (C(p)), up to 1850 K, and Raman spectroscopic measurements, up to 1150 K and 10 GPa. The C(p) measurements and available data on thermal expansion (alpha) and bulk modulus (K) show that the isochoric specific heat (C-nu) exceeds the harmonic limit of Dulong and Petit above 1300 K. This intrinsic anharmonic behavior of C-nu) can be modeled by introducing anharmonic parameters a(i) = (partial-lnv(i)/partial-T)V which are calculated from the measured pressure and temperature shifts of the vibrational frequencies. These parameters are all negative, with absolute values lower for the stretching modes of the SiO4 tetrahedra (a(i) almost-equal-to - 1 x 10(-5) K-1) than for the lattice modes (a(i) almost-equal-to 2 x 10(-5) K-1). Through the relation C(p) = C-nu) + alpha-2K(T)VT, the calculated anharmonic C-nu) and the measured C(p) are then used to determine the temperature dependences of the thermal expansion and bulk modulus of forsterite, up to 2000 K, in agreement with recent experimental results. Finally, all these data point to an inconsistency for the Gruneisen parameter of forsterite, whereby the macroscopic parameter gamma = alpha-VK(T)/C-nu) cannot be evaluated simply at high temperature by summation of the individual isothermal mode Gruneisen parameters gamma-iT = K(T) (partial-lnv(i)/partial-P)
Search for Fingerprints of Tetrahedral Symmetry in
Theoretical predictions suggest the presence of tetrahedral symmetry as an
explanation for the vanishing intra-band E2-transitions at the bottom of the
odd-spin negative parity band in . The present study reports on
experiment performed to address this phenomenon. It allowed to determine the
intra-band E2 transitions and branching ratios B(E2)/B(E1) of two of the
negative-parity bands in .Comment: presented by Q.T. Doan at XLII Zakopane School of Physics: Breaking
Frontiers: Submicron Structures in Physics and Biology, May 2008. 5 pages,
minor corrections. To be published in the proceeding
Post-operative Aspergillus mediastinitis in a man who was immunocompetent: a case report
<p>Abstract</p> <p>Introduction</p> <p><it>Aspergillus </it>spp. infections mainly affect patients who are immunocompromised, and are extremely rare in immunocompetent individuals.</p> <p>Case presentation</p> <p><it>Aspergillus </it>post-operative mediastinitis is considered to be a devastating infection, usually affecting patients undergoing cardiothoracic surgery with specific predisposing factors. We describe the case of an immunocompetent 68-year-old Caucasian man with severe chronic thromboembolic pulmonary hypertension, who underwent pulmonary thromboendarterectomy and developed post-operative mediastinitis due to <it>Aspergillus flavus</it>. The environmental control did not reveal the source of <it>A. flavus </it>infection and, despite combined antifungal therapy, our patient died as a result of septic shock and multiple organ failure.</p> <p>Conclusion</p> <p><it>Aspergillus </it>mediastinitis mainly affects patients after cardiosurgery operations with predisposing factors, and it is unusual in patients who are immunocompetent. The identification of the <it>Aspergillus </it>spp. source is often difficult, and there are no guidelines for the administration of pre-emptive therapy in this population of at-risk patients.</p
Frequency dependent specific heat of viscous silica
We apply the Mori-Zwanzig projection operator formalism to obtain an
expression for the frequency dependent specific heat c(z) of a liquid. By using
an exact transformation formula due to Lebowitz et al., we derive a relation
between c(z) and K(t), the autocorrelation function of temperature fluctuations
in the microcanonical ensemble. This connection thus allows to determine c(z)
from computer simulations in equilibrium, i.e. without an external
perturbation. By considering the generalization of K(t) to finite wave-vectors,
we derive an expression to determine the thermal conductivity \lambda from such
simulations. We present the results of extensive computer simulations in which
we use the derived relations to determine c(z) over eight decades in frequency,
as well as \lambda. The system investigated is a simple but realistic model for
amorphous silica. We find that at high frequencies the real part of c(z) has
the value of an ideal gas. c'(\omega) increases quickly at those frequencies
which correspond to the vibrational excitations of the system. At low
temperatures c'(\omega) shows a second step. The frequency at which this step
is observed is comparable to the one at which the \alpha-relaxation peak is
observed in the intermediate scattering function. Also the temperature
dependence of the location of this second step is the same as the one of the
peak, thus showing that these quantities are intimately connected to
each other. From c'(\omega) we estimate the temperature dependence of the
vibrational and configurational part of the specific heat. We find that the
static value of c(z) as well as \lambda are in good agreement with experimental
data.Comment: 27 pages of Latex, 8 figure
Differential Expression of the Demosponge (Suberites domuncula) Carotenoid Oxygenases in Response to Light: Protection Mechanism Against the Self-Produced Toxic Protein (Suberitine)
The demosponge Suberites domuncula has been described to contain high levels of a proteinaceous toxin, Suberitine, that displays haemolytic activityIn the present study this 7–8 kDa polypeptide has been isolated and was shown to exhibit also cytotoxic effects on cells of the same species. Addition of retinal, a recently identified metabolite of β-carotene that is abundantly present in S. domuncula was found to reduce both the haemolytic and the cell toxic activity of Suberitine at a molar ratio of 1:1. Spectroscopic analyses revealed that the interaction between β-carotene and Suberitine can be ascribed to a reversible energy transfer reaction. The enzyme that synthesises retinal in the sponge system is the β,β-carotene-15,15′-dioxygenase [carotene dioxygenase]. In order to clarify if this enzyme is the only β-carotene-metabolizing enzyme a further oxygenase had been identified and cloned, the (related) carotenoid oxygenase. In contrast to the dioxygenase, the carotenoid oxygenase could not degrade β-carotene or lycopene in Escherichia coli strains that produced these two carotenoids; therefore it had been termed related-carotenoid oxygenase. Exposure of primmorphs to light of different wavelengths from the visible spectrum resulted after 3 days in a strong upregulation of the dioxygenase in those 3D-cell aggregates that had been incubated with β-carotene. The strongest effect is seen with blue light at a maximum around 490 nm. It is concluded that the toxin Suberitine is non-covalently modified by retinal, the cleavage product from β-carotene via the enzyme carotene dioxygenase, a light inducible oxygenase. Hence, this study highlights that in S. domuncula the bioactive metabolite, retinal, has the property to detoxify its homologous toxin
The inherited blindness protein AIPL1 regulates the ubiquitin-like FAT10 pathway
Mutations in AIPL1 cause the inherited blindness Leber congenital amaurosis (LCA). AIPL1 has previously been shown to interact with NUB1, which facilitates the proteasomal degradation of proteins modified with the ubiquitin-like protein FAT10. Here we report that AIPL1 binds non-covalently to free FAT10 and FAT10ylated proteins and can form a ternary complex with FAT10 and NUB1. In addition, AIPL1 antagonised the NUB1-mediated degradation of the model FAT10 conjugate, FAT10-DHFR, and pathogenic mutations of AIPL1 were defective in inhibiting this degradation. While all AIPL1 mutants tested still bound FAT10-DHFR, there was a close correlation between the ability of the mutants to interact with NUB1 and their ability to prevent NUB1-mediated degradation. Interestingly, AIPL1 also co-immunoprecipitated the E1 activating enzyme for FAT10, UBA6, suggesting AIPL1 may have a role in directly regulating the FAT10 conjugation machinery. These studies are the first to implicate FAT10 in retinal cell biology and LCA pathogenesis, and reveal a new role of AIPL1 in regulating the FAT10 pathway
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