Melting behavior of large disordered sodium clusters

The melting-like transition in disordered sodium clusters Na_N, with N=92 and 142 is studied by using a first-principles constant-energy molecular dynamics simulation method. Na_142, whose atoms are distributed in two (surface and inner) main shells with different radial distances to the center of mass of the cluster, melts in two steps: the first one, at approx. 130 K, is characterized by a high intrashell mobility of the atoms, and the second, homogeneous melting, at approx. 270 K, involves diffusive motion of all the atoms across the whole cluster volume (both intrashell and intershell displacements are allowed). On the contrary, the melting of Na_92 proceeds gradually over a very wide temperature interval, without any abrupt step visible in the thermal or structural melting indicators. The occurrence of well defined steps in the melting transition is then shown to be related to the existence of a distribution of the atoms in shells. Thereby we propose a necessary condition for a cluster to be considered rigorously amorphouslike (totally disordered), namely that there are no space regions of the cluster where the local value of the atomic density is considerably reduced. Na_92 is the only cluster from the two considered that verifies this condition, so its thermal behavior can be considered as representative of that expected for amorphous clusters. Na_142, on the other hand, has a discernible atomic shell structure and should be considered instead as just partially disordered. The thermal behavior of these two clusters is also compared to that of icosahedral (totally ordered) sodium clusters of the same sizes.Comment: LaTeX file. 7 pages with 12 picture

GAMES: A new Scenario for Software and Knowledge Reuse

Games are a well-known test bed for testing search algorithms and learning methods, and many authors have presented numerous reasons for the research in this area. Nevertheless, they have not received the attention they deserve as software projects. In this paper, we analyze the applicability of software and knowledge reuse in the games domain. In spite of the need to find a good evaluation function, search algorithms and interface design can be said to be the primary concerns. In addition, we will discuss the current state of the main statistical learning methods and how they can be addressed from a software engineering point of view. So, this paper proposes a reliable environment and adequate tools, necessary in order to achieve high levels of reuse in the games domain

Theoretical Description of the Role of Halides, Silver, and Surfactants on the Structure of Gold Nanorods

Density functional theory simulations including dispersion provide an atomistic description of the role of different compounds in the synthesis of gold-nanorods. Anisotropy is caused by the formation of a complex between the surfactant, bromine, and silver that preferentially adsorbs on some facets of the seeds, blocking them from further growth. In turn, the nanorod structure is driven by the perferential adsorption of the surfactant, which induces the appearance of open {520} lateral facets

Espectro polínico de algunas mieles producidas en Tenerife y La Gomera (Islas Canarias, España)

XV lnternational A.P.L.E. Symposium of Palynolog

Resorcinolic Lipids from Yucatecan Propolis

Propolis is a material produced by bees from a combination of plant exudates and wax, used to fill out cracks in the beehive and to defend against intruders and pathogenic microorganisms; it is recognized for its many biological activities and its chemical composition depends on the botanical sources close to the beehive. The objective of this investigation was to isolate and identify metabolites with antioxidant activity present in a propolis sample collected in Yucatan, Mexico. Purification of the bioactive metabolites was carried out using argentation chromatography, while the combination of 1H nuclear magnetic resonance (NMR), laser desorption ionization (LDI), gas chromatography-mass spectrometry (GC-MS) and biosynthetic origin data allowed their identification as resorcinolic lipids. Finally, the resin of Mangifera indica was identified as the botanical source of these metabolite

Influence of light intensity on plasma melatonin and locomotor activity rhythms in tench

©2005. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ This document is the Accepted version of a Published Work that appeared in final form in Chronobiology International: The Journal of Biological and Medical Rhythm Research.Melatonin production by the pineal organ is influenced by light intensity, as has been described in most vertebrate species, in which melatonin is considered a synchronizer of circadian rhythms. In the case of tench, strict nocturnal activity rhythms have been described although the role of melatonin has not been clarified. In this study we investigated daily activity and melatonin rhythms under 12:12 light-dark (LD) conditions with two different light intensities (58.6 and 1091µW/cm2 ), and the effect of one hour broad spectrum white light pulses of different intensities (3.3, 5.3, 10.5, 1091.4 µW/cm2 ) applied at mid darkness (MD) on nocturnal circulating melatonin. The results showed that plasma melatonin in tench under LD 12:12 and high light conditions displayed a rhythmic variation, where values at MD (255.8 ± 65.9 pg/ml) were higher than at mid light (ML) (70.7 ± 31.9 pg/ml). Such a difference between MD and ML values was reduced in animals exposed to LD 12:12 and low light intensity. The application of one hour light pulses at MD lowered plasma melatonin to 111.6 ± 3.2 pg/ml (in the 3.3-10.5 µW/cm2 range) and to 61.8 ± 18.3 pg/ml (with the 1091.4 µW/cm2 light pulse) and totally suppressed nocturnal locomotor activity. These results showed that melatonin rhythms persisted in tench exposed to low light intensity although the amplitude of the rhythm is affected. In addition, it was observed that light pulses applied at MD affected plasma melatonin content and locomotor activity. Such a low threshold suggests that the melatonin system is capable of transducing light even under dim conditions, which may be used by this nocturnal fish to synchronize to weak night light signals (e.g. moonlight cycles

Late Quaternary tectono-sedimentary processes on an isolated offshore high marginal platform (NW Iberian Continental Margin)

Studies of the most surficial sedimentary record from passive continental margins provide crucial knowledge about sedimentary dynamics and its changes through recent geological times. These studies allow understanding in detail the influence of both tectonic activity and long-term bottom-current circulation over the Late Quaternary sedimentary dynamics. Using a large dataset of multibeam bathymetry, chirp and multi-channel seismic (MCS) records, ROV seabed direct observations and a magneto-chemical facies characterisation, we provide a well-dated record of the tectono-sedimentary processes on an isolated high marginal platform over the Late Quaternary. Our results display several structural and geomorphological features and tectonic pulses that indicate intense faulting, folding, and deformation of the most recent sedimentary cover. Furthermore, we document four main sedimentary systems acting at the study area and controlled by different water masses (MOW, LSW and NADW): the (hemi)pelagic, bottom current-controlled (hemi)pelagic, contourite and downslope sedimentary systems; as well as a new typology of contourite associated to giant depressions, named as pockmarks-related drift. The record also shows erosive features and extremely low sedimentation rates for the last 172 cal ka BP. Results suggest that the topographic configuration of the high marginal platform and reorganizations of the water masses associated to climate changes causes a constriction of the water masses that induce an enhancement of the bottom-current activity, favouring erosion, winnowing and redistribution of sediments. Therefore, this study provides new insight into the tectonic control and bottom current activity effect over the Late Quaternary sedimentary cover from an isolated and elevate offshore morphostructural province, located at the Galician Continental Margin.publishe

An XQuery-based Model Transformation Language

In this paper we propose a framework for model transformation in XQuery. Our proposal aims to provide the elements for using XQuery as a transformation language. With this aim, our framework provides a mechanism for automatically obtaining an XQuery library for a given meta-model. Meta-models are defined as XML schemas, and the XQuery library serves to query and create elements of an XML Schema. Transformations abstract from XML representation, in the sense of, elements from meta-models are encapsulated by XQuery functions. We have also studied how to use our framework for model validation. Source and target models and transformations are validated by considering constraints. The framework has been tested with a case study of transformation in UML, where the XML-based representation of models is achieved by the standardized language XMI

Molecular cloning and expression of collagenase-3, a novel human matrix metalloproteinase produced by breast carcinomas

Esta publicación detalla los experimentos realizados para la clonación de un ADNc que codifica una nueva metaloproteasa de matriz extracelular a partir de una biblioteca de ADNc procedente de un carcinoma mamario. Este trabajo es de gran interés en la investigación del cáncer, ya que describe la identificación de una nueva colagenasa en los carcinomas mamarios proponiendo un posible papel en el proceso tumoral. Hay evidencia de que las metaloproteasas participan en el proceso de degradación proteolítica de los diferentes componentes de la membrana basal, favoreciendo así la invasión tumoral y las metástasis. El ADNc de la colagenasa-3 se expresó en un sistema de virus vaccinia, y la proteína recombinante fue capaz de degradar los colágenos fibrilares, lo que apoya la hipótesis de que el ADNc aislado codifica para una colagenasa auténtica. El análisis por Northern blot del ARN de tejidos normales y patológicos demostró la existencia de tres especies diferentes de ARNm en los tumores de mama, que parecen ser el resultado de la utilización de distintos sitios de poliadenilación presentes en la región 3'-no codificante del gen. Por el contrario, no se detectó ARNm de la colalagenasa-3 por Northern blot ni por PCR en otros tejidos humanos como mama normal, fibroadenomas mamarios, hígado, placenta, ovario, útero, próstata y glándula parótida. Sobre la base del aumento de la expresión de la colagenasa-3 en los carcinomas de mama y la ausencia de expresión detectable en los tejidos normales, se propone un posible papel de esta metaloproteinasa en el proceso tumoral

The influence of basin slope and fluvial flow on deltaic built-up processes off mountainous, seasonal rivers

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