Symmetry-induced interference effects in metalloporphyrin wires

Organo-metallic molecular structures where a single metallic atom is embedded in the organic backbone are ideal systems to study the effect of strong correlations on their electronic structure. In this work we calculate the electronic and transport properties of a series of metalloporphyrin molecules sandwiched by gold electrodes using a combination of density functional theory and scattering theory. The impact of strong correlations at the central metallic atom is gauged by comparing our results obtained using conventional DFT and DFT+U approaches. The zero bias transport properties may or may not show spin-filtering behavior, depending on the nature of the d state closest to the Fermi energy. The type of d state depends on the metallic atom and gives rise to interference effects that produce different Fano features. The inclusion of the U term opens a gap between the d states and changes qualitatively the conductance and spin-filtering behavior in some of the molecules. We explain the origin of the quantum interference effects found as due to the symmetry-dependent coupling between the d states and other molecular orbitals and propose the use of these systems as nanoscale chemical sensors. We also demonstrate that an adequate treatment of strong correlations is really necessary to correctly describe the transport properties of metalloporphyrins and similar molecular magnets

Seismology of beta Cephei stars: differentially-rotating models for interpreting the oscillation spectrum of nu-Eridani

A method for the asteroseismic analysis of beta Cephei stars is presented and applied to the star nu Eridani. The method is based on the analysis of rotational splittings, and their asymmetries using differentially-rotating asteroseismic models. Models with masses around 7.13 M_sun, and ages around 14.9 Myr, were found to fit better 10 of the 14 observed frequencies, which were identified as the fundamental radial mode and the three L=1 triplets g, p, and p. The splittings and aymmetries found for these modes recover those provided in the literature, except for p. For this last mode, all its non-axysimmetric components are predicted by the models. Moreover, opposite signs of the observed and predicted splitting asymmetries are found. If identification is confirmed, this can be a very interesting source of information about the internal rotation profile, in particular in the outer regions of the star. In general, the seismic models which include a description for shellular rotation yield slightly better results as compared with those given by uniformly-rotating models. Furthermore, we show that asymmetries are quite dependent on the overshooting of the convective core, which make the present technique suitable for testing the theories describing the angular momentum redistribution and chemical mixing due to rotationally-induced turbulence.Comment: 11 pages, 9 figures, 8 tables. ApJ (in press

Unveiling the power spectra of δ\delta Scuti stars with TESS. The temperature, gravity, and frequency scaling relation

Thanks to high-precision photometric data legacy from space telescopes like CoRoT and Kepler, the scientific community could detect and characterize the power spectra of hundreds of thousands of stars. Using the scaling relations, it is possible to estimate masses and radii for solar-type pulsators. However, these stars are not the only kind of stellar objects that follow these rules: $\delta$ Scuti stars seem to be characterized with seismic indexes such as the large separation ($\Delta\nu$). Thanks to long-duration high-cadence TESS light curves, we analysed more than two thousand of this kind of classical pulsators. In that way, we propose the frequency at maximum power ($\nu_{\rm max}$) as a proper seismic index since it is directly related with the intrinsic temperature, mass and radius of the star. This parameter seems not to be affected by rotation, inclination, extinction or resonances, with the exception of the evolution of the stellar parameters. Furthermore, we can constrain rotation and inclination using the departure of temperature produced by the gravity-darkening effect. This is especially feasible for fast rotators as most of $\delta$ Scuti stars seem to be.Comment: 12 pages, 13 figures, accepted in Astronomy & Astrophysic

Determination of puberty in gilts: contrast of diagnostic methods

Background Early onset of a gilt´s puberty is needed for adequate economic performance in farms, because it indicates her reproductive performance and longevity. Therefore, an effective diagnosis is needed. Our purpose was to compare different procedures (external characteristics, blood progesterone analysis and ultrasonography diagnosis) to detect puberty in 70 gilts (Topigs TN70; 240 days old) on farm conditions. Postmortem examination was the standard reference. Multiple logistic regression analysis was used to identify which combination of independent variables (predictors) best predicts the status of gilts. Results Puberty (46/70 gilts; 65.71%) was characterized by the presence of follicles larger than 6 mm, corpus albicans, corpus rubrum, and corpus luteum (postmortem examination). Vaginal length, body condition, backfat, carcass weight and progesterone blood concentration were significantly higher in pubertal than prepubertal gilts (P < 0.05). Two types of ultrasonography equipment (DELTA and W3) were compared and performed by the same senior technician (V1). The results obtained by two technicians with different levels of experience (V1 and V2, a junior technician) using W3 were also compared. Ultrasonography provided better results than other diagnostic techniques, although the effectiveness of the ultrasonography changed with technological improvements and with increased expertise of technicians. The most accurate results were found by V1/DELTA (Nagelkerke´s R2 = 0.846; Sensitivity = 0.956; Specificity = 0.958; Positive predictive value = 0.978; Negative predictive value = 0.920; Area under ROC curve = 0.957). Results using the W3 equipment could be improved when used in conjunction with vaginal length (V1; Nagelkerke´s R2 = 0.834; Sensitivity = 0.933; Specificity = 0.958; Positive predictive value = 0.977; Negative predictive value = 0.885; Area under ROC curve = 0.972) or progesterone concentration (V2; Nagelkerke´s R2 = 0.780; Sensitivity = 0.955; Specificity = 0.826; Positive predictive value = 0.915; Negative predictive value = 0.905; Area under ROC curve = 0.970). Conclusions Ultrasonography provided better results than other diagnostic techniques. The effectiveness of the ultrasonography changes with technological improvements and with increased expertise of technicians. Results using the W3 equipment could be improved when used along with vaginal length (V1) or progesterone concentration (V2). Accuracy parameters are a guide to choose puberty diagnosis, but the farms must also evaluate effect on gilts, ease and cost of administration

Asteroseismology with the WIRE satellite. I. Combining Ground- and Space-based Photometry of the Delta Scuti Star Epsilon Cephei

We have analysed ground-based multi-colour Stromgren photometry and single-filter photometry from the star tracker on the WIRE satellite of the delta scuti star Epsilon Cephei. The ground-based data set consists of 16 nights of data collected over 164 days, while the satellite data are nearly continuous coverage of the star during 14 days. The spectral window and noise level of the satellite data are superior to the ground-based data and this data set is used to locate the frequencies. However, we can use the ground-based data to improve the accuracy of the frequencies due to the much longer time baseline. We detect 26 oscillation frequencies in the WIRE data set, but only some of these can be seen clearly in the ground-based data. We have used the multi-colour ground-based photometry to determine amplitude and phase differences in the Stromgren b-y colour and the y filter in an attempt to identify the radial degree of the oscillation frequencies. We conclude that the accuracies of the amplitudes and phases are not sufficient to constrain theoretical models of Epsilon Cephei. We find no evidence for rotational splitting or the large separation among the frequencies detected in the WIRE data set. To be able to identify oscillation frequencies in delta scuti stars with the method we have applied, it is crucial to obtain more complete coverage from multi-site campaigns with a long time baseline and in multiple filters. This is important when planning photometric and spectroscopic ground-based support for future satellite missions like COROT and KEPLER.Comment: 13 pages, 12 figures, 4 tables. Fig. 4 reduced in quality. Accepted by A&

Preparing the COROT space mission: new variable stars in the galactic Anticenter direction

The activities related to the preparation of the asteroseismic, photometric space mission COROT are described. Photoelectric observations, wide--field CCD photometry, uvbyB calibrations and further time--series have been obtained at different observatories and telescopes. They have been planned to complete the COROT programme in the direction of the galactic Anticenter. In addition to suitable asteroseismic targets covering the different evolutionary stages between ZAMS and TAMS, we discovered several other variable stars, both pulsating and geometrical. We compared results on the incidence of variability in the galactic Center and Anticenter directions. Physical parameters have been obtained and evolutionary tracks fitting them have been calculated. The peculiarities of some individual stars alre pointed out. Paper based on observations collected at the San Pedro Martir, Sierra Nevada, Teide, La Silla, Haute-Provence and Roque de Los Muchachos (Telescopio Nazionale Galileo and Mercator telescopes) observatories.Comment: 13 pages, 9 figures. Accepted for The Astronomical Journal (2005 May volume

Synthetic approaches to phosphasugars (2-oxo-1,2- oxaphosphacyclanes) using the anomeric alkoxyl radical β‑fragmentation reaction as the key step

The anomeric alkoxyl radical β-fragmentation (ARF) of carbohydrates possessing an electron-withdrawing group (EWG) at C2, promoted by PhI(OAc)2/I2, gives rise to an acyclic iodide through which a pentavalent atom of phosphorus can be introduced via the Arbuzov reaction. After selective hydrolysis and subsequent cyclization, the phosphonate or phosphinate intermediates can be converted into 2- deoxy-1-phosphahexopyranose and 2-deoxy-1-phosphapentopyranose sugars. The ARF of carbohydrates with an electron-donor group (EDG) at C2 proceeds by a radical-polar crossover mechanism, and the cyclization occurs by nucleophilic attack of a conveniently positioned phosphonate or phosphinate group to the transient oxocarbenium ion. This alternative methodology leads to 5-phosphasugars with a 4-deoxy-5-phosphapentopyranose framework. The structure and conformation of the 2-oxo-1,2-oxaphosphinane and 2-oxo-1,2-oxaphospholane ring systems in different carbohydrate models have been studied by NMR and X-ray crystallography

The Frequency Ratio Method for the seismic modelling of gamma Doradus stars. II The role of rotation

The effect of rotation on the Frequency Ratio Method (Moya et al. 2005) is examined. Its applicability to observed frequencies of rotating gamma Doradus stars is discussed taking into account the following aspects: the use of a perturbative approach to compute adiabatic oscillation frequencies; the effect of rotation on the observational Brunt-Vaisala integral determination and finally, the problem of disentangling multiplet-like structures from frequency patterns due to the period spacing expected for high-order gravity modes in asymptotic regime. This analysis reveals that the FRM produces reliable results for objects with rotational velocities up to 70 kms/s, for which the FRM intrinsic error increases one order of magnitude with respect to the typical FRM errors given in Moya et al. (2005). Our computations suggest that, given the spherical degree "l" identification, the FRM may be discriminating for m = 0 modes, in the sense that the method avoids any misinterpretation induced by the presence of rotationally split multiplet-like structures, which reinforces the robustness of the method. However, if "l" is unknown, such discrimination is not ensured. In order to check the FRM in presence of slow-moderate rotation, we have applied it to the three observed frequencies of the slowly rotating (vsini = 29 km/s) gamma Doradus star HD48501.Comment: A&A, in pres

Odd non-linear conductivity under spatial inversion in chiral Tellurium

Electrical transport in non-centrosymmetric materials departs from the well-established phenomenological Ohm's law. Instead of a linear relation between current and electric field, a non-linear conductivity emerges along specific crystallographic directions. This non-linear transport is fundamentally related to the lack of spatial inversion symmetry. However, the experimental implications of an inversion symmetry operation on the non-linear conductivity remain to be explored. Here, we report on a large, non-linear conductivity in chiral Tellurium. By measuring samples with opposite handedness, we demonstrate that the non-linear transport is odd under spatial inversion. Furthermore, by applying an electrostatic gate, we modulate the non-linear output by a factor of 300, reaching the highest reported value excluding engineered heterostructures. Our results establish chiral Te as an ideal compound not just to study the fundamental interplay between crystal structure, symmetry operations and non-linear transport, but also to develop wireless rectifiers and energy-harvesting chiral devices.Comment: 7 pages, 4 figures, Supplemental Materia