1,551 research outputs found

    Mean properties and Free Energy of a few hard spheres confined in a spherical cavity

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    We use analytical calculations and event-driven molecular dynamics simulations to study a small number of hard sphere particles in a spherical cavity. The cavity is taken also as the thermal bath so that the system thermalizes by collisions with the wall. In that way, these systems of two, three and four particles, are considered in the canonical ensemble. We characterize various mean and thermal properties for a wide range of number densities. We study the density profiles, the components of the local pressure tensor, the interface tension, and the adsorption at the wall. This spans from the ideal gas limit at low densities to the high-packing limit in which there are significant regions of the cavity for which the particles have no access, due the conjunction of excluded volume and confinement. The contact density and the pressure on the wall are obtained by simulations and compared to exact analytical results. We also obtain the excess free energy for N=4, by using a simulated-assisted approach in which we combine simulation results with the knowledge of the exact partition function for two and three particles in a spherical cavity.Comment: 11 pages, 9 figures and two table

    Cyclic motion and inversion of surface flow direction in a dense polymer brush under shear

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    Using molecular simulations, we study the properties of a polymer brush in contact with an explicit solvent under Couette and Poiseuille flow. The solvent is comprised of chemically identical chains. We present evidence that individual, unentangled chains in the dense brush exhibit cyclic, tumbling motion and non-Gaussian fluctuations of the molecular orientations similar to the behaviour of isolated tethered chains in shear flow. The collective molecular motion gives rise to an inversion of hydrodynamic flow direction in the vicinity of the brush-coated surface. Utilising Couette and Poiseuille flow, we investigate to what extend the effect of a brush-coated surface can be described by a Navier slip condition.Comment: 6 pages, 6 figures, submitted for publicatio

    Enzymes Encapsulated within Alginate Hydrogels: Bioelectrocatalysis and Electrochemiluminescence Applications

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    A simple procedure to incorporate enzymes (horseradish peroxidase, HRP, and lactate oxidase, LOx) within alginate hydrogels is reported with electrochemiluminescence (ECL) used to detect the enzymatic reactions with the corresponding substrates. First, HRP and LOx were successfully immobilized into CaCO3 microspheres, followed by the electrostatic layer-by-layer deposition of a nanoshell onto the microspheres, and finally by their dispersion into alginate solution. The as-prepared dispersion was drop cast onto the glassy carbon electrodes and cross-linked by the external and internal gelation methods using Ca2+ cations. The enzymes encapsulated within the alginate hydrogels were characterized using cyclic voltammetry and kinetic studies performed using ECL. The results showed that the enzymatic activity was significantly maintained as a result of the immobilization, with values of the apparent Michaelis-Menten constants estimated as 7.71 ± 0.62 and 8.41 ± 0.43 μM, for HRP and LOx, respectively. The proposed biosensors showed good stability and repeatability with an estimated limit of detection of 5.38 ± 0.05 and 0.50 ± 0.03 μM for hydrogen peroxide and lactic acid, respectively. The as-prepared enzymes encapsulated within the alginate hydrogels showed good stability up to 28 days from their preparation. The sensitivity and selectivity of the enzymes encapsulated within the alginate hydrogels were tested in real matrices (HRP, hydrogen peroxide, in contact lens solution; LOx, lactic acid in artificial sweat) showing the sensitivity of the ECL detection methods for the detection of hydrogen peroxide and lactic acid in real samples

    Analysis of nestin protein in the aqueous humor as biomarker of open angle glaucoma

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    Primary open angle glaucoma (POAG) is a progressive optic nerve degeneration, leading to irreversible visual damage. Alterations of the aqueous humor (AH), the biological fluid filling both the anterior and the posterior chambers of the eye, play a pathogenic role in POAG. AH protein composition is altered during glaucoma progression. Nestin protein was found to be differentially expressed in the AH of glaucomatous patients compared to unaffected matched controls

    Comparative morphology of Dorsanum miran and Bullia granulosa from Morocco (Mollusca: Caenogastropoda: Nassariidae)

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    The anatomy and taxonomy of two western African nassariids are explored, based on samples collected in Morocco. The species are Dorsanum miran, the type species of the genus, and Bullia granulosa, a characteristic member of Bullia. Both possess the typical morphological and anatomical features of the family, including a pair of metapodial tentacles, a well-developed proboscis, elongated odontophore with fusion of cartilages, and highly concentrated central nervous system. Both species have in common the socketlike heads, bifid columellar muscles, and reduction of the gland of Leiblein. D. miran has well-developed eyes, cement gland, and preputial protection at the penis tip. B. granulosa lacks eyes, has multiplicity of some buccal mass muscles (transverse muscles and main dorsal tensor muscles – m2), and a thick-walled and broad anterior oesophagus. The characters are discussed in the light of present knowledge concerning caenogastropod taxonomy.Fil: Simone, Luiz Ricardo L.. Universidade de São Paulo. Museu de Zoologia; BrasilFil: Pastorino, Roberto Santiago Guido. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Museo Argentino de Ciencias Naturales "Bernardino Rivadavia"; Argentin

    Microvessel density as a prognostic factor in non-small-cell lung carcinoma: a meta-analysis of individual patient data.

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    BACKGROUND: Angiogenesis is a potential prognostic factor that has been investigated in patients with non-small-cell lung carcinoma. However, published studies of the role of angiogenesis as a prognostic factor are inconclusive. We aimed to collect individual patient data to assess microvessel-density counts (ie, a measure of angiogenesis) as a prognostic factor in non-small-cell lung carcinoma. METHODS: We obtained published and unpublished datasets and extracted appropriate data, taking particular care to ensure data quality. Detailed information was obtained for the laboratory methods used by every research centre that generated the data. The outcome of interest was overall survival. We did a meta-analysis to estimate the prognostic role of microvessel density by combining separately estimated hazard ratios (HR) from every study, which were adjusted for tumour stage and age. Analyses were done separately for studies that used the Chalkley method or for those that counted all microvessels. FINDINGS: 17 centres provided data for 3200 patients, 2719 of which were included in the analysis. All but three centres (datasets 9, 10, and 13-367 cases) had already published their findings, and six had updated follow-up information (datasets 1, 2, 3, 6, 7, and 8-1273 cases). For all but three centres (datasets 4, 11, and 13) some data corrections were necessary. For microvessel density counts obtained by the Chalkley method, the HR for death per extra microvessel was 1.05 (95% CI 1.01-1.09, p=0.03) when analysed as a continuous variable. For microvessel density counts obtained by the all vessels method, the HR for death per ten extra microvessels was 1.03 (0.97-1.09, p=0.3) when analysed as a continuous variable. INTERPRETATION: Microvessel density does not seem to be a prognostic factor in patients with non-metastatic surgically treated non-small-cell lung carcinoma. This conclusion contradicts the results of a meta-analysis of published data only. Therefore, the methodology used to assess prognostic factors should be assessed carefully

    Social Cognition in Neurodevelopmental Disorders and Epilepsy

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    Introduction: The purpose of our study was to perform a comparative analysis of social cognition in children and adolescents with epilepsy, autism spectrum disorder (ASD), specific learning disorder (SLD) and in typical development (TD) controls. The secondary aim was to relate social cognition to some clinical and demographic characteristics. Methods: Our work is a transversal observational study. The recruits were 179 children and adolescents aged between 6 and 18 years diagnosed with epilepsy, ASD, or SLD and 32 subjects with TD. All the participants underwent neuropsychological assessment of Emotion Recognition (ER) and Theory of Mind (ToM) skills. Results: All three clinical groups performed significantly worse than controls in ER and ToM. The ASD group achieved significantly lower performance than the other groups; however, the scores of SLD and epilepsy groups were comparable. The ER performances are related to non-verbal intelligence only in the group with epilepsy. Conclusion: Children and adolescents with focal epilepsy, SLD, or ASD may present a deficit of varying extent in emotion recognition and ToM, compared with TD peers. These difficulties are more pronounced in individuals with ASD, but impairment worthy of clinical attention also emerges in individuals with SLD and epilepsy

    Variación genética de poblaciones naturales de Ciprés de la Cordillera con regímenes de precipitación contrastados, en la eficiencia del uso del agua de plántulas, a través de la discriminación isotópica del carbono

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    Water-use efficiency (WUE) is a physiological parameter that plays a significant role in the evolutionary dynamics of many forest tree species. It can be estimated indirectly through carbon isotope discrimination (Δ). In general, plants of more arid origins have lower values of Δ. In order to study the degree of genetic control of this parameter and the genetic variation in Δ of Patagonian Cypress seedlings, three Argentinean natural populations chosen to represent two contrasting precipitation regimes were sampled in a common garden trial. The dry situation was represented by two neighboring marginal forest patches from the steppe, while the humid condition was represented by a population with 1,200 mm higher mean annual precipitation. Height (H) and Δ were measured in 246 five-year-old seedlings from 41 open-pollinated families. The factor ‘family’ had a significant effect on both variables; however heritability for Δ was found not to be significant in two out of the three populations. This could be explained by low sample size in one of them and by a real evolutionary effect in the other. An inverse association between H and Δ was verified, which is interpreted as evidence of an adaptation process at the intra-population level. The studied populations were not shown to discriminate carbon isotopes differently; hence evidence of adaptation to current environmental conditions could not be obtained. On the other hand, the arid populations proved to be quite different in terms of genetic variation, which seems to be the consequence of genetic drift and isolation.La eficiencia en el uso del agua es un parámetro fisiológico que desempeña un rol significativo en la dinámica evolutiva de muchas especies forestales. Puede estimarse indirectamente a través de la discriminación isotópica del carbono (Δ). En general, las plantas de orígenes más áridos tienen valores de Δ más bajos. Con el propósito de estudiar el grado de control genético de Δ y la variación genética en este parámetro en plántulas de Ciprés de la Cordillera, tres poblaciones naturales elegidas para representar dos regímenes de precipitación contrastados fueron muestreadas en un ensayo de ambiente común. La condición árida estuvo representada por dos fragmentos de bosque esteparios marginales, vecinos entre sí, mientras que la condición húmeda fue representada por una población con una precipitación media anual 1.200 mm superior a la de las áridas. Se midió altura total (H) y Δ en 246 plántulas de 5 años de edad correspondientes a 41 familias de polinización abierta. El factor ‘familia’ tuvo un efecto significativo en ambas variables; sin embargo, la heredabilidad para Δ no resultó significativa en dos de las tres poblaciones. En una de ellas esto podría explicarse por el restringido tamaño muestreal, mientras que en la otra por un verdadero efecto evolutivo. Asimismo se verificó una asociación inversa entre H y Δ, la cual es interpretada como evidencia de un proceso de adaptación a nivel intra-poblacional. No se observó que las poblaciones estudiadas discriminaran los isótopos del carbono de un modo diferencial, y por lo tanto no se obtuvieron evidencias de adaptación a las condiciones ambientales actuales. Por otro lado, las poblaciones áridas probaron ser muy diferentes entre sí en términos de variación genética, lo que parece ser la consecuencia de deriva y aislamiento genéticos
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