Dynamics and thermodynamics of the spherical frustrated Blume-Emery-Griffiths model

We introduce a spherical version of the frustrated Blume-Emery-Griffiths model and solve exactly the statics and the Langevin dynamics for zero particle-particle coupling (K=0). In this case the model exhibits an equilibrium transition from a disordered to a spin glass phase which is always continuous for nonzero temperature. The same phase diagram results from the study of the dynamics. Furthermore, we notice the existence of a nonequilibrium time regime in a region of the disordered phase, characterized by aging as occurs in the spin glass phase. Due to a finite equilibration time, the system displays in this region the pattern of interrupted aging.Comment: 19 pages, 8 figure

Promising Impregnated Mn-based Oxygen Carriers for Chemical Looping Combustion of Gaseous Fuels

Promising impregnated oxygen carriers, based on copper and iron, have been previously developed for CLC with gaseous fuels (CH4, syngas, LHC). Recently, because of its low cost and environmental compatibility, Mn-based oxygen carriers are now being considered as an attractive option for chemical-looping combustion (CLC) applications. In this work, a screening of different commercial supports in fluidizable particle size for impregnated Mn-based materials has been carried out. Different oxygen carriers have been prepared by incipient impregnation on ZrO2, and CaAl2O4, and evaluated with respect to their mechanical resistance, fuel gas reactivity and fluidization properties such as agglomeration and attrition rate. In a first step, particles showing high enough crushing strength values were selected for the reactivity investigation. The redox reactivity was evaluated through TGA experiments at suitable temperatures for the CLC process (i.e. 850-950 °C) using H2, CO and CH4. Multi cycle redox analysis and full physical and chemical characterization was also performed. In a second step, materials with high enough reactivity were prepared for fluidized bed evaluation. A batch fluidized bed installation with continuous gaseous fuel feed was used to analyze the product gas distribution during reduction and oxidation reactions at different operation temperatures, and agglomeration and attrition behavior of the selected materials. Results showed that an oxygen carrier impregnated using ZrO2 as support, had high enough reactivity and low attrition rate. Therefore, this material can be selected as a candidate for the development of CLC with syngas with promising results

Tree-based Coarsening and Partitioning of Complex Networks

Many applications produce massive complex networks whose analysis would benefit from parallel processing. Parallel algorithms, in turn, often require a suitable network partition. For solving optimization tasks such as graph partitioning on large networks, multilevel methods are preferred in practice. Yet, complex networks pose challenges to established multilevel algorithms, in particular to their coarsening phase. One way to specify a (recursive) coarsening of a graph is to rate its edges and then contract the edges as prioritized by the rating. In this paper we (i) define weights for the edges of a network that express the edges' importance for connectivity, (ii) compute a minimum weight spanning tree $T^m$ with respect to these weights, and (iii) rate the network edges based on the conductance values of $T^m$'s fundamental cuts. To this end, we also (iv) develop the first optimal linear-time algorithm to compute the conductance values of \emph{all} fundamental cuts of a given spanning tree. We integrate the new edge rating into a leading multilevel graph partitioner and equip the latter with a new greedy postprocessing for optimizing the maximum communication volume (MCV). Experiments on bipartitioning frequently used benchmark networks show that the postprocessing already reduces MCV by 11.3%. Our new edge rating further reduces MCV by 10.3% compared to the previously best rating with the postprocessing in place for both ratings. In total, with a modest increase in running time, our new approach reduces the MCV of complex network partitions by 20.4%

Spin and density overlaps in the frustrated Ising lattice gas

We perform large scale simulations of the frustrated Ising lattice gas, a three-dimensional lattice model of a structural glass, using the parallel tempering technique. We evaluate the spin and density overlap distributions, and the corresponding non-linear susceptibilities, as a function of the chemical potential. We then evaluate the relaxation functions of the spin and density self-overlap, and study the behavior of the relaxation times. The results suggest that the spin variables undergo a transition very similar to the one of the Ising spin glass, while the density variables do not show any sign of transition at the same chemical potential. It may be that the density variables undergo a transition at a higher chemical potential, inside the phase where the spins are frozen.Comment: 7 pages, 10 figure

Capsaicin cyclodextrin complex enhances mepivacaine targeting and improves local anesthesia in inflamed tissues

Acidic environments, such as in inflamed tissues, favor the charged form of local anesthetics LA . Hence, these drugs show less cell permeation and diminished potency. Since the analgesic capsaicin CAP triggers opening of the TRPV1 receptor pore, its combination with LAs could result in better uptake and improved anesthesia. We tested the above hypothesis and report here for the first time the analgesia effect of a two drug combination LA and CAP on an inflamed tissue. First, CAP solubility increased up to 20 times with hydroxypropyl beta cyclodextrin HP amp; 946; CD , as shown by the phase solubility study. The resulting complex HP amp; 946; CD CAP showed 1 1 stoichiometry and high association constant, according to phase solubility diagrams and isothermal titration calorimetry data. The inclusion complex formation was also confirmed and characterized by differential scanning calorimetry DSC , X ray diffraction, and 1H NMR. The freeze dried complex showed physicochemical stability for at least 12 months. To test in vivo performance, we used a pain model based on mouse paw edema. Results showed that 2 mepivacaine injection failed to anesthetize mice inflamed paw, but its combination with complexed CAP resulted in pain control up to 45 min. These promising results encourages deeper research of CAP as an adjuvant for anesthesia in inflamed tissues and cyclodextrin as a solubilizing agent for targeting molecules in drug deliver

Simulating Cosmic Microwave Background maps in multi-connected spaces

This article describes the computation of cosmic microwave background anisotropies in a universe with multi-connected spatial sections and focuses on the implementation of the topology in standard CMB computer codes. The key ingredient is the computation of the eigenmodes of the Laplacian with boundary conditions compatible with multi-connected space topology. The correlators of the coefficients of the decomposition of the temperature fluctuation in spherical harmonics are computed and examples are given for spatially flat spaces and one family of spherical spaces, namely the lens spaces. Under the hypothesis of Gaussian initial conditions, these correlators encode all the topological information of the CMB and suffice to simulate CMB maps.Comment: 33 pages, 55 figures, submitted to PRD. Higher resolution figures available on deman

The Neuroprotective Action of Amidated-Kyotorphin on Amyloid β Peptide-Induced Alzheimer’s Disease Pathophysiology

Kyotorphin (KTP, l-tyrosyl-l-arginine) is an endogenous dipeptide initially described to have analgesic properties. Recently, KTP was suggested to be an endogenous neuroprotective agent, namely for Alzheimer’s disease (AD). In fact, KTP levels were shown to be decreased in the cerebrospinal fluid of patients with AD, and recent data showed that intracerebroventricular (i.c.v.) injection of KTP ameliorates memory impairments in a sporadic rat model of AD. However, this administration route is far from being a suitable therapeutic strategy. Here, we evaluated if the blood-brain permeant KTP-derivative, KTP-NH2, when systemically administered, would be effective in preventing memory deficits in a sporadic AD animal model and if so, which would be the synaptic correlates of that action. The sporadic AD model was induced in male Wistar rats through i.c.v. injection of amyloid β peptide (Aβ). Animals were treated for 20 days with KTP-NH2 (32.3 mg/kg, intraperitoneally (i.p.), starting at day 3 after Aβ administration) before memory testing (Novel object recognition (NOR) and Y-maze (YM) tests). Animals were then sacrificed, and markers for gliosis were assessed by immunohistochemistry and Western blot analysis. Synaptic correlates were assessed by evaluating theta-burst induced long term potentiation (LTP) of field excitatory synaptic potentials (fEPSPs) recorded from hippocampal slices and cortical spine density analysis. In the absence of KTP-NH2 treatment, Aβ-injected rats had clear memory deficits, as assessed through NOR or YM tests. Importantly, these memory deficits were absent in Aβ-injected rats that had been treated with KTP-NH2, which scored in memory tests as control (sham i.c.v. injected) rats. No signs of gliosis could be detected at the end of the treatment in any group of animals. LTP magnitude was significantly impaired in hippocampal slices that had been incubated with Aβ oligomers (200 nM) in the absence of KTP-NH2. Co-incubation with KTP-NH2 (50 nM) rescued LTP toward control values. Similarly, Aβ caused a significant decrease in spine density in cortical neuronal cultures, and this was prevented by co-incubation with KTP-NH2 (50 nM). In conclusion, the present data demonstrate that i.p. KTP-NH2 treatment counteracts Aβ-induced memory impairments in an AD sporadic model, possibly through the rescuing of synaptic plasticity mechanisms.publishersversionpublishe

A first-principles approach to electrical transport in atomic-scale nanostructures

We present a first-principles numerical implementation of Landauer formalism for electrical transport in nanostructures characterized down to the atomic level. The novelty and interest of our method lies essentially on two facts. First of all, it makes use of the versatile Gaussian98 code, which is widely used within the quantum chemistry community. Secondly, it incorporates the semi-infinite electrodes in a very generic and efficient way by means of Bethe lattices. We name this method the Gaussian Embedded Cluster Method (GECM). In order to make contact with other proposed implementations, we illustrate our technique by calculating the conductance in some well-studied systems such as metallic (Al and Au) nanocontacts and C-atom chains connected to metallic (Al and Au) electrodes. In the case of Al nanocontacts the conductance turns out to be quite dependent on the detailed atomic arrangement. On the contrary, the conductance in Au nanocontacts presents quite universal features. In the case of C chains, where the self-consistency guarantees the local charge transfer and the correct alignment of the molecular and electrode levels, we find that the conductance oscillates with the number of atoms in the chain regardless of the type of electrode. However, for short chains and Al electrodes the even-odd periodicity is reversed at equilibrium bond distances.Comment: 14 pages, two-column format, submitted to PR