Magnetization plateaux in the classical Shastry-Sutherland lattice

We investigated the classical Shastry-Sutherland lattice under an external magnetic field in order to understand the recently discovered magnetization plateaux in the rare-earth tetraborides compounds RB$_4$. A detailed study of the role of thermal fluctuations was carried out by mean of classical spin waves theory and Monte-Carlo simulations. Magnetization quasi-plateaux were observed at 1/3 of the saturation magnetization at non zero temperature. We showed that the existence of these quasi-plateaux is due to an entropic selection of a particular collinear state. We also obtained a phase diagram that shows the domains of existence of different spin configurations in the magnetic field versus temperature plane.Comment: 4 pages, proceedings of HFM200

Influence of lattice distortions in classical spin systems

We investigate a simple model of a frustrated classical spin chain coupled to adiabatic phonons under an external magnetic field. A thorough study of the magnetization properties is carried out both numerically and analytically. We show that already a moderate coupling with the lattice can stabilize a plateau at 1/3 of the saturation and discuss the deformation of the underlying lattice in this phase. We also study the transition to saturation where either a first or second order transition can occur, depending on the couplings strength.Comment: Submitted to Phys. Rev.

Seeing the last part of a hitting movement is enough to adapt to a temporal delay.

Being able to see the object that you are aiming for is evidently useful for guiding the hand to a moving object. We examined to what extent seeing the moving hand also influences performance. Subjects tried to intercept moving targets while either instantaneous or delayed feedback about the moving hand was provided at certain times. After each attempt, subjects had to indicate whether they thought they had hit the target, had passed ahead of it, or had passed behind it. Providing visual feedback early in the movement enabled subjects to use visual information about the moving hand to correct their movements. Providing visual feedback when the moving hand passed the target helped them judge how they had performed. Performance was almost as good when visual feedback about the moving hand was provided only when the hand was passing the target as when it was provided throughout the movement. We conclude that seeing the temporal relationship between the hand and the target as the hand crosses the target's path is instrumental for adapting to a temporal delay

Theoretical Study of the Phosphoryl Transfer Reaction from ATP to Dha Catalyzed by DhaK from Escherichia coli

Protein kinases, representing one of the largest protein families involved in almost all aspects of cell life, have become one of the most important targets for the development of new drugs to be used in, for instance, cancer treatments. In this article an exhaustive theoretical study of the phosphoryl transfer reaction from adenosine triphosphate (ATP) to dihydroxyacetone (Dha) catalyzed by DhaK from Escherichia coli (E. coli) is reported. Two different mechanisms, previously proposed for the phosphoryl transfer from ATP to the hydroxyl side chain of specific serine, threonine, or tyrosine residues, have been explored based on the generation of free energy surfaces (FES) computed with hybrid QM/MM potentials. The results suggest that the substrate-assisted phosphoryl and proton-transfer mechanism is kinetically more favorable than the mechanism where an aspartate would be activating the Dha. Although the details of the mechanisms appear to be dramatically dependent on the level of theory employed in the calculations (PM3/MM, B3LYP:PM3/MM, or B3LYP/MM), the transition states (TSs) for the phosphoryl transfer step appear to be described as a concerted step with different degrees of synchronicity in the breaking and forming bonds process in both explored mechanisms. Residues of the active site belonging to different subunits of the protein, such as Gly78B, Thr79A, Ser80A, Arg178B, and one Mg2+ cation, would be stabilizing the transferred phosphate in the TS. Asp109A would have a structural role by posing the Dha and other residues of the active site in the proper orientation. The information derived from our calculations not only reveals the role of the enzyme and the particular residues of its active site, but it can assist in the rational design of new more specific inhibitors

Magnetization Process of the Classical Heisenberg Model on the Shastry-Sutherland Lattice

We investigate classical Heisenberg spins on the Shastry-Sutherland lattice and under an external magnetic field. A detailed study is carried out both analytically and numerically by means of classical Monte-Carlo simulations. Magnetization pseudo-plateaux are observed around 1/3 of the saturation magnetization for a range of values of the magnetic couplings. We show that the existence of the pseudo-plateau is due to an entropic selection of a particular collinear state. A phase diagram that shows the domains of existence of those pseudo-plateaux in the $(h, T)$ plane is obtained.Comment: 9 pages, 11 figure

Neuroprotective profile of edible flowers of borage (Borago officinalis L.) in two different models: Caenorhabditis elegans and Neuro-2a cells

The flowers of Borago officinalis L. (Boraginaceae), commonly known as borage, are widely used as a culinary ingredient. The aim of this study was to assess the potential benefits of fresh borage flower extract related to antioxidant, neuroprotective and anti-aging properties. The extract was obtained by Soxhlet extraction with ethanol as a solvent, and fatty acids were detected by GC-FID. The antioxidant activity was evaluated in vitro through the DPPH, FRAP and ORAC assays. Regarding the fatty acid (FA) composition, the extract showed high amounts of polyunsaturated FA. The Neuro-2a cell line was used to determine the cytoprotective capacity of the extract subjected to oxidative stress (H2O2). Moreover, the model organism Caenorhabditis elegans was used to assess antioxidant activity, delayed ageing as well as cytoprotection and reduced ß-amyloid toxicity. Cells treated with the extract and H2O2 showed a better response to oxidative stress than the control group, particularly in terms of mitochondrial activity (MTT assay), redox state (ROS formation) and the activity of antioxidant enzymes (catalase and superoxide dismutase). B. officinalis flower extract showed promising antioxidant activity in the selected models, without causing toxicity. Hence, the results obtained support the antioxidant properties of borage flowers in different bioassays using living organisms

Thermo-oxidative characterisation of the residues from persimmon harvest for its use in energy recovery processes

[EN] The residues from the harvest of persimmon fruit will be thermally valorised by means of high temperature reactions within a spouted bed reactor. With the aim to obtain valuable information for the design of the device, the thermo-chemical processes were simulated by multi-rate linear non-isothermal Thermogravimetric Analysis (TGA) using O-2 as carrier gas. In addition, a set of analyses were carried out using Ar as carrier gas in order to evaluate the influence of the atmosphere (oxidative or inert conditions) on the decomposition of the samples evaluating the reactions of pyrolysis. The release of gases was monitored by Evolved Gas Analysis (EGA) with in-line Fourier Transformed Infrared (FT-IR) analysis. The thermochemical reaction was mathematically described through the definition of the main kinetic parameters: activation energy (Ea), pre-exponential factor (In A) and model and order of reaction (n). The so-called kinetic triplet was calculated through the application of a methodology based on complementary isoconversional methods. These results will be the initial parameters that will help design the Spouted Bed Reactor and it is envisaged that they will be used in computer simulation software to achieve a better understanding of the process to obtain the optimum operational parameters. (C) 2016 Published by Elsevier B.V.Moliner, C.; Aguilar, A.; Bosio, B.; Arato, E.; Ribes-Greus, A. (2016). Thermo-oxidative characterisation of the residues from persimmon harvest for its use in energy recovery processes. Fuel Processing Technology. 152:421-429. https://doi.org/10.1016/j.fuproc.2016.07.008S42142915

Magnetic-field effects on transport in carbon nanotube junctions

Here we address a theoretical study on the behaviour of electronic states of heterojunctions and quantum dots based on carbon nanotubes under magnetic fields. Emphasis is put on the analysis of the local density of states, the conductance, and on the characteristic curves of current versus voltage. The heterostructures are modeled by joining zigzag tubes through single pentagon-heptagon pair defects, and described within a simple tight binding calculation. The conductance is calculated using the Landauer formula in the Green functions formalism. The used theoretical approach incorporates the atomic details of the topological defects by performing an energy relaxation via Monte Carlo calculation. The effect of a magnetic field on the conductance gap of the system is investigated and compared to those of isolated constituent tubes. It is found that the conductance gap of the studied CNHs exhibits oscillations as a function of the magnetic flux. However, unlike the pristine tubes case, they are not Aharonov-Bohm periodic oscillations

Ionic-liquid doped polymeric composite as passive colorimetric sensor for meat freshness as a use case

[EN] A composite membrane containing 1,2-naphthoquinone-4-sulfonic acid sodium salt (NQS) embedded in an ionic liquid (IL)- polydimethylsiloxane (PDMS)- tetraethyl orthosilicate (TEOS)- SiO2 nanoparticles (NPs) polymeric matrix is proposed. The selected IL was 1-methyl-3-octylimidazolium hexafluorophosphate (OMIM PF6). It is demonstrated that ILs chemical additives of PDMS influenced the sol-gel porosity. The sensor analytical performance for ammonia atmospheres has been tested as a function of sampling time (between 0.5 and 312 h), temperature (25 ◦C and 4 ◦C) and sampling volume (between 2L and 22 mL) by means of diffuse reflectance measurements and sensor photos, which can be registered and saved as images by a smartphone, which permit RGB measurements too. Flexible calibration was possible, adapting it to the sampling time, temperature and sampling volume needed for its application. Calibration linear slopes (mA vs ppmv) between 1.7 and 467 ppmv-1 were obtained for ammonia in function of the several studied conditions. Those slopes were between 48 and 91% higher than those achieved with sensors without ILs. The practical application of this sensing device was demonstrated for the analysis of meat packaging environments, being a potential cost-effective candidate for in situ meat freshness analysis. NQS provided selectivity in reference to other family compounds emitted from meat products, such as sulphides. After 10 days at 4 ◦C ammonia liberated by the assayed meat was 20 ± 4 μg/kg and 18 ± 3 μg/kg, quantified by using diffuse reflectance and %R measurements, respectively. Homogeneity of the ammonia atmosphere was tested by using two sensors placed in two different positions inside the packages