Chirality in Bare and Passivated Gold Nanoclusters

Chiral structures have been found as the lowest-energy isomers of bare (Au$_{28}$ and Au$_{55}) and thiol-passivated (Au$_{28}(SCH$_{3})$_{16}$and Au$_{38}(SCH_{3})_{24}) gold nanoclusters. The degree of chirality existing in the chiral clusters was calculated using the Hausdorff chirality measure. We found that the index of chirality is higher in the passivated clusters and decreases with the cluster size. These results are consistent with the observed chiroptical activity recently reported for glutahione-passivated gold nanoclusters, and provide theoretical support for the existence of chirality in these novel compounds.Comment: 5 pages, 1 figure. Submitted to PR

COMBUSTION MODEL FOR SPARK IGNITION ENGINES OPERATING ON GASOLINE-ETHANOL BLENDS

This article presents a phenomenological combustion model using turbulent flame propagation theory developed by Keck and coworkers, 1974. The model was adapted to work with gasoline-ethanol blends, following correlations presented by Bayraktar,2005. New sub-models were introduced for intake valve velocity and combustion efficiency. These allow simulating the effect of compression ratio, spark timing and fuel change. Results show good agreement with the ones in the original work as well as with experimental results in a Cooperative Fuels Research (CFR) engine

Structural and energetic properties of nickel clusters: 2≤N≤1502 \le N \le 150

The four most stable structures of Ni$_N$ clusters with $N$ from 2 to 150 have been determined using a combination of the embedded-atom method in the version of Daw, Baskes and Foiles, the {\it variable metric/quasi-Newton} method, and our own {\it Aufbau/Abbau} method. A systematic study of energetics, structure, growth, and stability of also larger clusters has been carried through without more or less severe assumptions on the initial geometries in the structure optimization, on the symmetry, or on bond lengths. It is shown that cluster growth is predominantly icosahedral with $islands$ of {\it fcc}, {\it tetrahedral} and {\it decahedral} growth. For the first time in unbiased computations it is found that Ni$_{147}$ is the multilayer (third Mackay) icosahedron. Further, we point to an enhanced ability of {\it fcc} clusters to compete with the icosahedral and decahedral structures in the vicinity of N=79. In addition, it is shown that conversion from the {\it hcp}/anti-Mackay kind of icosahedral growth to the {\it fcc}/Mackay one occurs within a transition layer including several cluster sizes. Moreover, we present and apply different analytical tools in studying structural and energetic properties of such a large class of clusters. These include means for identifying the overall shape, the occurrence of atomic shells, the similarity of the clusters with, e.g., fragments of the {\it fcc} crystal or of a large icosahedral cluster, and a way of analysing whether the $N$-atom cluster can be considered constructed from the $(N-1)$-atom one by adding an extra atom. In addition, we compare in detail with results from chemical-probe experiment. Maybe the most central result is that first for clusters with $N$ above 80 general trends can be identified.Comment: 37 pages, 11 figure

Efecto sobre la calidad de la leche, características tecnológicas y producción quesera de la raza merina de grazalema frente al cruce con razas mejoradas

En los últimos años se están incorporando masivamente en España, en general y Andalucía en particular, razas ovinas foráneas de aptitud lechera, fundamentalmente las razas Assaf, Awassi y Lacaune. Su introducción está fomentando asimismo, la realización de cruces indiscriminados con nuestras razas ovinas autóctonas, de aptitud lechera pero de menor especialización, al menos cuantitativamente (Casas et al., 2005). El objetivo de este estudio ha sido analizar en dos grupos de animales de un mismo rebaño (ovejas puras de raza Merina de Grazalema, y ovejas cruzadas Merina de Grazalema x Awassi) las características de la producción lechera, y proceder a la elaboración de quesos para estudiar las posibles Consejería de Agricultura y Pesca 34 diferencias tecnológicas de los quesos derivados de ambas elaboraciones. A través del mismo se ha comprobado una mayor producción lechera de las ovejas cruzadas (167,35±13,20 kg frente a 136,84±4,25 kg) pero con un porcentaje de grasa (6,25±0,34 % frente a 8,27±0,22 %), proteína (4,71±0,14 % frente a 5,80±0,09 %) y extracto seco (10,97±0,46 % frente a 14,07±0,28 %) estadísticamente inferior. En cuanto a los parámetros de aptitud tecnológica, los valores de tiempo de coagulación medio (24,70±0,77 minutos), dureza media (dureza del coágulo a los 30 minutos) de 25,03±2,27 mm, y el rendimiento en cuajada (327,50±5,70 g/l), mostraron cifras inferiores a las referenciadas por Casas et al. (2005) para la raza ovina Merina de Grazalema. Finalmente, la velocidad de endurecimiento resultó mayor a los valores obtenidos en el trabajo citado anteriormente (4,59±0,54 min). Por otro lado, estos mismos parámetros mostraron valores inferiores en el tiempo de coagulación (19,60±0,62 minutos), velocidad de endurecimiento (3,97±0,38 min) y rendimiento en cuajada (290,55±6,67), mientras que la dureza media (32,85±2,03 mm) fue superior en las ovejas cruzadas, respecto a los valores encontrados en esta misma explotación para los animales puros. Como consecuencia de todo ello, el rendimiento quesero real fue del 30,25 % para las ovejas puras frente al 23,70 % de las cruzadas. Esto determina que la producción quesera real que se obtiene por oveja pura, sea superior al de la cruzada (41,38 kg queso fresco/ lactación frente a los 39,70 de la cruzada).Proyecto INIA. Ministerio de Educación y Ciencia

Capacitively Coupled Electrical Stimulation of Rat Chondroepiphysis Explants: A Histomorphometric Analysis

[EN] The growth plate is a cartilaginous layer present from the gestation period until the end of puberty where it ossifies joining diaphysis and epiphysis. During this period several endocrine, autocrine, and paracrine processes within the growth plate are carried out by chondrocytes; therefore, a disruption in cellular functions may lead to pathologies affecting bone development. It is known that electric fields impact the growth plate; however, parameters such as stimulation time and electric field intensity are not well documented. Accordingly, this study presents a histomorphometrical framework to assess the effect of electric fields on chondroepiphysis ex-plants. Bones were stimulated with 3.5 and 7 mV/cm, and for each electric field two exposure times were tested for 30 days (30 min and 1 h). Results evidenced that electric fields increased the hypertrophic zones compared with controls. In addition, a stimulation of 3.5 mV/cm applied for 1 h preserved the columnar cell density and its orientation. Moreover, a pre-hypertrophy differentiation in the center of the chondroepiphysis was observed when explants were stimulated during 1 h with both electric fields. These findings allow the understanding of the effect of electrical stimulation over growth plate organization and how the stimulation modifies chondrocytes morphophysiology.This research was supported by COLCIENCIAS Administrative Department of Science, Technology and Innovation. The authors gratefully thank the research support from the Biotechnology Institute of the Universidad Nacional de Colombia, for providing the lab space at the Biomimetics Laboratory and the reactants to perform the experimental approach of this study. Research reported in this publication was supported by COLCIENCIAS Administrative Department of Science, Technology and Innovation (Announcement 712-2015 Grant No 50457).Vaca-González, JJ.; Escobar, J.; Guevara, J.; Hata, YA.; Gallego Ferrer, G.; Garzón-Alvarado, DA. (2019). Capacitively Coupled Electrical Stimulation of Rat Chondroepiphysis Explants: A Histomorphometric Analysis. Bioelectrochemistry. 126:1-11. https://doi.org/10.1016/j.bioelechem.2018.11.004S11112

PvGAMA reticulocyte binding activity: predicting conserved functional regions by natural selection analysis

Background: Adhesin proteins are used by Plasmodium parasites to bind and invade target cells. Hence, characterising molecules that participate in reticulocyte interaction is key to understanding the molecular basis of Plasmodium vivax invasion. This study focused on predicting functionally restricted regions of the P. vivax GPI-anchored micronemal antigen (PvGAMA) and characterising their reticulocyte binding activity. Results: The pvgama gene was initially found in P. vivax VCG-I strain schizonts. According to the genetic diversity analysis, PvGAMA displayed a size polymorphism very common for antigenic P. vivax proteins. Two regions along the antigen sequence were highly conserved among species, having a negative natural selection signal. Interestingly, these regions revealed a functional role regarding preferential target cell adhesion. Conclusions: To our knowledge, this study describes PvGAMA reticulocyte binding properties for the first time. Conserved functional regions were predicted according to natural selection analysis and their binding ability was confirmed. These findings support the notion that PvGAMA may have an important role in P. vivax merozoite adhesion to its target cells. © 2017 The Author(s)

Electronic Developments for the Hades RPC Wall: Overview and Progress

This contribution presents the current status and progress of the electronics developed for the Resistive Plate Chamber detector of HADES. This new detector for the time-of-flight detection system will contain more than 1000 RPC modules, covering a total active area of around 7 m2. The Front-End electronics consist of custom-made boards that exploit the benefit of the use of commercial components to achieve time resolutions below 100 ps. The Readout electronics, also custom-made, is a multipurpose board providing a 128- channel Time to Digital Converter (TDC) based on the HPTDC chip

Dynamics of the circumstellar gas in the Herbig Ae stars BF Orionis, SV Cephei, WW Vulpeculae and XY Persei

We present high resolution (lambda / Delta_lambda = 49000) echelle spectra of the intermediate mass, pre-main sequence stars BF Ori, SV Cep, WW Wul and XY Per. The spectra cover the range 3800-5900 angstroms and monitor the stars on time scales of months and days. All spectra show a large number of Balmer and metallic lines with variable blueshifted and redshifted absorption features superimposed to the photospheric stellar spectra. Synthetic Kurucz models are used to estimate rotational velocities, effective temperatures and gravities of the stars. The best photospheric models are subtracted from each observed spectrum to determine the variable absorption features due to the circumstellar gas; those features are characterized in terms of their velocity, v, dispersion velocity, Delta v, and residual absorption, R_max. The absorption components detected in each spectrum can be grouped by their similar radial velocities and are interpreted as the signature of the dynamical evolution of gaseous clumps with, in most cases, solar-like chemical composition. This infalling and outflowing gas has similar properties to the circumstellar gas observed in UX Ori, emphasizing the need for detailed theoretical models, probably in the framework of the magnetospheric accretion scenario, to understand the complex environment in Herbig Ae (HAe) stars. WW Vul is unusual because, in addition to infalling and outflowing gas with properties similar to those observed in the other stars, it shows also transient absorption features in metallic lines with no obvious counterparts in the hydrogen lines. This could, in principle, suggest the presence of CS gas clouds with enhanced metallicity around WW Vul. The existence of such a metal-rich gas component, however, needs to be confirmed by further observations and a more quantitative analysis.Comment: 21 pages, 13 figures. Accepted for publication by Astronomy & Astrophysic

Stiff monatomic gold wires with a spinning zigzag geometry

Using first principles density functional calculations, gold monatomic wires are found to exhibit a zigzag shape which remains under tension, becoming linear just before breaking. At room temperature they are found to spin, what explains the extremely long apparent interatomic distances shown by electron microscopy.The zigzag structure is stable if the tension is relieved, the wire holding its chainlike shape even as a free-standing cluster. This unexpected metallic-wire stiffness stems from the transverse quantization in the wire, as shown in a simple free electron model.Comment: 4 pages, latex, 5 figures, submitted to PR

EXPORT: optical photometry and polarimetry of Vega-type and pre-main sequence stars

This paper presents optical UBVRI broadband photo-polarimetry of the EXPORT sample obtained at the 2.5m Nordic Optical Telescope. The database consists of multi-epoch photo-polarimetry of 68 pre-main-sequence and main-sequence stars. An investigation of the polarization variability indicates that 22 objects are variable at the 3sigma level in our data. All these objects are pre-main sequence stars, consisting of both T Tauri and Herbig Ae/Be objects while the main sequence, Vega type and post-T Tauri type objects are not variable. The polarization properties of the variable sources are mostly indicative of the UXOR-type behaviour; the objects show highest polarization when the brightness is at minimum. We add seven new objects to the class of UXOR variables (BH Cep, VX Cas, DK Tau, HK Ori, LkHa 234, KK Oph and RY Ori). The main reason for their discovery is the fact that our data-set is the largest in its kind, indicating that many more young UXOR-type pre-main sequence stars remain to be discovered. The set of Vega-like systems has been investigated for the presence of intrinsic polarization. As they lack variability, this was done using indirect methods, and apart from the known case of BD +31.643, the following stars were found to be strong candidates to exhibit polarization due to the presence of circumstellar disks: 51 Oph, BD +31.643C, HD 58647 and HD 233517.Comment: A&A accepte