890 research outputs found
Langevin dynamics with a tilted periodic potential
We study a Langevin equation for a particle moving in a periodic potential in
the presence of viscosity and subject to a further external field
. For a suitable choice of the parameters and the
related deterministic dynamics yields heteroclinic orbits. In such a regime, in
absence of stochastic noise both confined and unbounded orbits coexist. We
prove that, with the inclusion of an arbitrarly small noise only the confined
orbits survive in a sub-exponential time scale.Comment: 38 pages, 6 figure
Compositional uniformity, domain patterning and the mechanism underlying nano-chessboard arrays
We propose that systems exhibiting compositional patterning at the nanoscale,
so far assumed to be due to some kind of ordered phase segregation, can be
understood instead in terms of coherent, single phase ordering of minority
motifs, caused by some constrained drive for uniformity. The essential features
of this type of arrangements can be reproduced using a superspace construction
typical of uniformity-driven orderings, which only requires the knowledge of
the modulation vectors observed in the diffraction patterns. The idea is
discussed in terms of a simple two dimensional lattice-gas model that simulates
a binary system in which the dilution of the minority component is favored.
This simple model already exhibits a hierarchy of arrangements similar to the
experimentally observed nano-chessboard and nano-diamond patterns, which are
described as occupational modulated structures with two independent modulation
wave vectors and simple step-like occupation modulation functions.Comment: Preprint. 11 pages, 11 figure
Large ferroelectric polarization in the new double perovskite NaLaMnWO induced by non-polar instabilities
Based on density functional theory calculations and group theoretical
analysis, we have studied NaLaMnWO compound which has been recently
synthesized [Phys. Rev. B 79, 224428 (2009)] and belongs to the family of double perovskites. At low temperature, the structure has
monoclinic symmetry, with layered ordering of the Na and La ions and
rocksalt ordering of Mn and W ions. The Mn atoms show an antiferromagnetic
(AFM) collinear spin ordering, and the compound has been reported as a
potential multiferroic. By comparing the low symmetry structure with a parent
phase of symmetry, two distortion modes are found dominant. They
correspond to MnO and WO octahedron \textit{tilt} modes, often
found in many simple perovskites. While in the latter these common tilting
instabilities yield non-polar phases, in NaLaMnWO the additional presence
of the - cation ordering is sufficient to make these rigid unit modes
as a source of the ferroelectricity. Through a trilinear coupling with the two
unstable tilting modes, a significant polar distortion is induced, although the
system has no intrinsic polar instability. The calculated electric polarization
resulting from this polar distortion is as large as 16 . Despite its secondary character, this polarization is coupled with
the dominant tilting modes and its switching is bound to produce the switching
of one of two tilts, enhancing in this way a possible interaction with the
magnetic ordering. The transformation of common non-polar purely steric
instabilities into sources of ferroelectricity through a controlled
modification of the parent structure, as done here by the cation ordering, is a
phenomenon to be further explored.Comment: Physical Chemistry Chemical physics (in press
Spiral ground state against ferroelectricity in the frustrated magnet BiMnFe2O6
The spiral magnetic structure and underlying spin lattice of BiMnFe2O6 are
investigated by low-temperature neutron powder diffraction and density
functional theory band structure calculations. In spite of the random
distribution of the Mn3+ and Fe3+ cations, this compound undergoes a transition
into an incommensurate antiferromagnetically ordered state below TN ~ 220 K.
The magnetic structure is characterized by the propagation vector k=[0,beta,0]
with beta ~ 0.14 and the P22_12_11'(0 \beta 0)0s0s magnetic superspace
symmetry. It comprises antiferromagnetic helixes propagating along the b-axis.
The magnetic moments lie in the ac plane and rotate about pi*(1+beta) ~ 204.8
deg angle between the adjacent magnetic atoms along b. The spiral magnetic
structure arises from the peculiar frustrated arrangement of exchange couplings
in the ab plane. The antiferromagnetic coupling along the c-axis leads to the
cancellation of electric polarization, and results in the lack of
ferroelectricity in BiMnFe2O6.Comment: 11 pages, 8 figures, 8 table
Methionine adenosyltransferase S-nitrosylation is regulated by the basic and acidic amino acids surrounding the target thiol
S-Adenosylmethionine serves as the methyl donor for many biological methylation reactions and provides the propylamine group for the synthesis of polyamines. S-Adenosylmethionine is synthesized from methionine and ATP by the enzyme methionine adenosyltransferase. The cellular factors regulating S-adenosylmethionine synthesis have not been well defined. Here we show that in rat hepatocytes S-nitrosoglutathione monoethyl ester, a cell-permeable nitric oxide donor, markedly reduces cellular S-adenosylmethionine content via inactivation of methionine adenosyltransferase by S-nitrosylation. Removal of the nitric oxide donor from the incubation medium leads to the denitrosylation and reactivation of methionine adenosyltransferase and to the rapid recovery of cellular S-adenosylmethionine levels. Nitric oxide inactivates methionine adenosyltransferase via S-nitrosylation of cysteine 121. Replacement of the acidic (aspartate 355) or basic (arginine 357 and arginine 363) amino acids located in the vicinity of cysteine 121 by serine leads to a marked reduction in the ability of nitric oxide to S-nitrosylate and inactivate hepatic methionine adenosyltransferase. These results indicate that protein S-nitrosylation is regulated by the basic and acidic amino acids surrounding the target cysteine
Malignant catarrhal fever in cattle in Spain
We report a case of malignant catarrhal fever in cattle in a mixed herd (ovine/bovine). The case occurred in the Basque Country (north of Spain) in April 2021. The infection was confirmed by polymerase chain reaction in a calf that had developed signs consistent with the âhead and eyeâ form of the disease. Just before its appearance, a group of five calves born at the farm (including the affected one), aged between 8 and 12 months, were temporarily housed in a pen adjacent to the sheep shed, and separated by a metallic fence that allowed direct contact. In Spain, there are no data on the incidence of malignant catarrhal fever, as there is no active surveillance programme in place. Furthermore, the disease is uncommonly considered in differential diagnosesS
First-principles study of the ferroelastic phase transition in CaCl_2
First-principles density-functional calculations within the local-density
approximation and the pseudopotential approach are used to study and
characterize the ferroelastic phase transition in calcium chloride (CaCl_2). In
accord with experiment, the energy map of CaCl_2 has the typical features of a
pseudoproper ferroelastic with an optical instability as ultimate origin of the
phase transition. This unstable optic mode is close to a pure rigid unit mode
of the framework of chlorine atoms and has a negative Gruneisen parameter. The
ab-initio ground state agrees fairly well with the experimental low temperature
structure extrapolated at 0K. The calculated energy map around the ground state
is interpreted as an extrapolated Landau free-energy and is successfully used
to explain some of the observed thermal properties. Higher-order anharmonic
couplings between the strain and the unstable optic mode, proposed in previous
literature as important terms to explain the soft-phonon temperature behavior,
are shown to be irrelevant for this purpose. The LAPW method is shown to
reproduce the plane-wave results in CaCl_2 within the precision of the
calculations, and is used to analyze the relative stability of different phases
in CaCl_2 and the chemically similar compound SrCl_2.Comment: 9 pages, 6 figures, uses RevTeX
Folding of dimeric methionine adenosyltransferase III: identification of two folding intermediates
Methionine adenosyl transferase (MAT) is an essential enzyme that synthesizes AdoMet. The liver-specific MAT isoform, MAT III, is a homodimer of a 43.7-kDa subunit that organizes in three nonsequential alpha-beta domains. Although MAT III structure has been recently resolved, little is known about its folding mechanism. Equilibrium unfolding and refolding of MAT III, and the monomeric mutant R265H, have been monitored using different physical parameters. Tryptophanyl fluorescence showed a three-state folding mechanism. The first unfolding step was a folding/association process as indicated by its dependence on protein concentration. The monomeric folding intermediate produced was the predominant species between 1.5 and 3 m urea. It had a relatively compact conformation with tryptophan residues and hydrophobic surfaces occluded from the solvent, although its N-terminal region may be very unstructured. The second unfolding step monitored the denaturation of the intermediate. Refolding of the intermediate showed first order kinetics, indicating the presence of a kinetic intermediate within the folding/association transition. Its presence was confirmed by measuring the 1,8-anilinonaphtalene-8-sulfonic acid binding in the presence of tripolyphosphate. We propose that the folding rate-limiting step is the formation of an intermediate, probably a structured monomer with exposed hydrophobic surfaces, that rapidly associates to form dimeric MAT III
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