Atomistic Modeling of Gas Adsorption in Nanocarbons

Carbon nanostructures are currently under investigation as possible ideal media for gas storage and mesoporous materials for gas sensors. The recent scientific literature concerning gas adsorption in nanocarbons, however, is affected by a significant variation in the experimental data, mainly due to the different characteristics of the investigated samples arising from the variety of the synthesis techniques used and their reproducibility. Atomistic simulations have turned out to be sometimes crucial to study the properties of these systems in order to support the experiments, to indicate the physical limits inherent in the investigated structures, and to suggest possible new routes for application purposes. In consideration of the extent of the theme, we have chosen to treat in this paper the results obtained within some of the most popular atomistic theoretical frameworks without any purpose of completeness. A significant part of this paper is dedicated to the hydrogen adsorption on C-based nanostructures for its obvious importance and the exceptional efforts devoted to it by the scientific community

Investment without Q

We estimate investment policy functions under general assumptions about technology and markets. Policy functions are easy to estimate and summarize the key predictions of any dynamic investment model. Because our method does not rely on Tobin\u27s Q, it does not require information about market values and can be readily applied to study private firms. In addition, unlike Tobin\u27s Q, we show that investment policy functions account for a large fraction of the variation in corporate investment. As such they are much better suited to evaluate and estimate dynamic investment models. Using this superior characterization of firm investment behaviour we then use indirect inference methods to estimate deep parameters of a structural model of investment featuring decreasing returns to scale and generalized adjustment cost functions

Public Information and Inefficient Investment

In a general equilibrium economy with uninsurable aggregate liquidity shocks, we show that public information may trigger allocative inefficiency and liquidity crises. Entrepreneurs do not internalize the negative impact of their investment decisions on the equilibrium risk of liquidity shortage. A more informative public signal decreases the risk of a liquidity shock, but increases the risk of capital rationing conditional on a liquidity shock. In equilibrium, information quality has a non-monotonic effect on expected returns on investment and social welfare. An increase in the quality of public information has redistributive effects on welfare as entrepreneurs gain and financiers lose. Investment restrictions and targeted disclosure of information achieve constrained efficiency as competitive market equilibrium

Water driven adsorption of amino acids on the (101) anatase TiO2 surface: an ab initio study

Arg, Lys and Asp amino acids are known to play a critical role in the adhesion of the RKLPDA engineered peptide on the (101) surface of the titania anatase phase. To understand their contribution to peptide adhesion, we have considered the relevant charge states due to protonation (Arg and Lys) or deprotonation (Asp) occurring in neutral water solution, and studied their adsorption on the (101) anatase TiO2 surface by ab initio total energy calculations based on density functional theory. The adsorption configurations on the hydrated surface are compared to those on the dry surface considering also the presence of the hydration shell around amino acid side-chains. This study explains how water molecules mediate the adsorption of charged amino acids showing that protonated amino acids are chemically adsorbed much more strongly than de-protonated Asp. Moreover it is shown that the polar screening of the hydration shell reduces the adsorption energy of the protonated amino acids to a small extent, thus evidencing that both Arg and Lys strongly adhere on the (101) anatase TiO2 surface in neutral water solution and that they play a major role in the adhesion of the RKLPDA peptide

Effect of GA 3 and paclobutrazol on adventitious shoot regeneration of two Pelargonium sp

This study had two aims. The first was to improve the regeneration efficiency of Pelargonium leaf discs by adventitious budding. The second was to test the effect of gibberellic acid (GA 3) and paclobutrazol (PBZ) on callus formation and adventitious shoot regeneration in Pelargonium before using genetic transformation of this species for functional validation of genes involved in the process of GA regulation. GA 3 and paclobutrazol (an inhibitor of GA synthesis pathway) were added (together or separately) in the shoot regeneration media of two Pelargonium species, Pelargonium * hortorum \u27Panache sud\u27 (\u27P.sud\u27) and Pelargonium * domesticum \u27Autumn haze\u27 (\u27 P.dom\u27). In both cases, GA 3 applied alone, completely inhibited the bud regeneration. Moreover, the rate of callus formation decreased drastically when 5 M of GA 3 was applied to \u27 P. dom\u27 explants. Similar result was obtained with \u27P.sud\u27 explants using 20 M GA 3. Paclobutrazol (0.3 M) applied at the same time as GA 3 (10 M) could partially restore regeneration process of \u27 P. dom\u27. For \u27 P. dom\u27, the use of paclobutrazol alone increased callus formation and slightly improved the rate of regeneration. Moreover, initiated buds had a better appearance. For \u27P. sud\u27, which had an abundant callusing, paclobutrazol did not improve regeneration and led to hyperhydric shoots

Feeding Habits of the Invasive Weakfish (Cynoscion regalis) in the Gulf of Cadiz

Weakfish (Cynoscion regalis) has been present in Iberian waters since at least 2011, when it was first recorded in the Guadalquivir estuary. Little is known about the preferences and feeding strategies of weakfish outside of its native range; therefore, in this work, we carried out a comprehensive study between March 2021 and September 2021 to elucidate these matters. In total, the stomach contents of 300 fish were examined. The fish were collected in spring and summer in the Gulf of Cadiz (Spain), with individuals caught ranging from 185 to 590 mm in total length. Due to the sampling period and size range of individuals, ontogenic and seasonal (spring–summer) variations in the diet were also explored. Overall, fish and crustaceans were the dominant groups consumed by weakfish. The European anchovy (Engraulis encrasicolus) and caramote prawn (Penaeus kerathurus) were the most abundant prey in each group. While no differences were found in the percentage of occurrence of fish in the non-empty stomachs analyzed in spring and summer (83%), a small increase was found in the percentage of occurrence of crustaceans from spring (20%) to summer (29%). In addition, the analysis of the results also suggested that weakfish of smaller sizes feed more on crustaceans, while bigger individuals feed mainly on fish. Our findings indicate that weakfish is a fully carnivorous species with a preference for fish. All this is in line with the diet and strategy that weakfish exhibits in its native area and with the first assessment made with the existing population in the Sado Estuary (Portugal). In recent years, due to the appearance of non-native species, there is increasing concern among local fishermen and the local authorities about the reduction in captures of certain species such as Penaeus kerathurus; therefore, this study could help researchers to understand the role of weakfish concerning this matter. The present study contributes to the ecological knowledge about this species in the Iberian Peninsula and the Gulf of Cadiz, helping the local authorities to establish, if needed, an appropriate management program to cope with this recently introduced species

p166 links membrane and intramitochondrial modules of the trypanosomal tripartite attachment complex.

The protist parasite Trypanosoma brucei has a single mitochondrion with a single unit genome termed kinetoplast DNA (kDNA). Faithfull segregation of replicated kDNA is ensured by a complicated structure termed tripartite attachment complex (TAC). The TAC physically links the basal body of the flagellum with the kDNA spanning the two mitochondrial membranes. Here, we characterized p166 as the only known TAC subunit that is anchored in the inner membrane. Its C-terminal transmembrane domain separates the protein into a large N-terminal region that interacts with the kDNA-localized TAC102 and a 34 aa C-tail that binds to the intermembrane space-exposed loop of the integral outer membrane protein TAC60. Whereas the outer membrane region requires four essential subunits for proper TAC function, the inner membrane integral p166, via its interaction with TAC60 and TAC102, would theoretically suffice to bridge the distance between the OM and the kDNA. Surprisingly, non-functional p166 lacking the C-terminal 34 aa still localizes to the TAC region. This suggests the existence of additional TAC-associated proteins which loosely bind to non-functional p166 lacking the C-terminal 34 aa and keep it at the TAC. However, binding of full length p166 to these TAC-associated proteins alone would not be sufficient to withstand the mechanical load imposed by the segregating basal bodies

Procesos de decisión en la antiagregación (V): Riesgo hemorrágico

Una vez valorada la indicación del tratamiento antiagregante y el riesgo tromboembólico en anteriores entradas, este último, bajo niveles de evidencia III o IV, debemos conocer y valorar el riesgo hemorrágico del procedimiento al que será sometido el paciente si decidimos no suspender los antiplaquetarios con el fin de llegar al último punto del proceso de decisión con todos los argumentos necesarios para, desde un punto de vista multidisciplinario, individualizando e informando adecuadamente al paciente, consensuar la decisión de retirar o continuar la terapia antiagregante