An Ising-Like model for protein mechanical unfolding

The mechanical unfolding of proteins is investigated by extending the Wako-Saito-Munoz-Eaton model, a simplified protein model with binary degrees of freedom, which has proved successful in describing the kinetics of protein folding. Such a model is generalized by including the effect of an external force, and its thermodynamics turns out to be exactly solvable. We consider two molecules, the 27th immunoglobulin domain of titin and protein PIN1. In the case of titin we determine equilibrium force-extension curves and study nonequilibrium phenomena in the frameworks of dynamic loading and force clamp protocols, verifying theoretical laws and finding the position of the kinetic barrier which hinders the unfolding of the molecule. The PIN1 molecule is used to check the possibility of computing the free energy landscape as a function of the molecule length by means of an extended form of the Jarzynski equality.Comment: 4 pages + appendi

On the prediction of the ignition delay time of bio-syngas

The growing energy demand and more stringent environmental regulations have raised concerns about the production and use of alternative fuels. Due to the potential application of the resulting gaseous streams in turbines as an energy source, slow pyrolysis of biomass including municipal waste have been extensively studied under various situations and atmospheric conditions. Nevertheless, the combustion characteristics of these complex mixtures and the chemical interactions between their constituent species are still not fully understood. Hence, the accuracy of commonly used empirical-based mixing rules for the estimation of the overall reactivity, such as laminar burning velocity and ignition delay time is inefficient. This work is addressed to the numerical prediction of the Ignition Delay Time, IDT, of bio-syngas mixtures at different fuel compositions, stoichiometries, temperature, and pressure, by means of a detailed kinetic model. A simplified tool for preliminary evaluation of the overall reactivity with respect to the above-mentioned conditions was proposed for these mixtures, as well, providing an effective feature for safety and management evaluations

Reduced combustion mechanism for fire with light alcohols

The need for sustainable energy has incentivized the use of alternative fuels such as light alcohols. In this work, reduced chemistry mechanisms for the prediction of fires (pool fire, tank fire, and flash fire) for two primary alcohols—methanol and ethanol—were developed, aiming to integrate the detailed kinetic model into the computational fluid dynamics (CFD) model. The model accommodates either the pure reactants and products or other intermediates, including soot precursors (C2H2, C2H4, and C3H3 ), which were identified via sensitivity and reaction path analyses. The developed reduced mechanism was adopted to predict the burning behavior in a 3D domain and for the estimation of the product distribution. The agreement between the experimental data from the literature and estimations resulting from the analysis performed in this work demonstrates the successful application of this method for the integration of kinetic mechanisms and CFD models, opening to an accurate evaluation of safety scenarios and allowing for the proper design of storage and transportation systems involving light alcohols

Observation of thundercloud-related gamma rays and neutrons in Tibet

During the 2010 rainy season in Yangbajing (4300 m above sea level) in Tibet, China, a long-duration count enhancement associated with thunderclouds was detected by a solar-neutron telescope and neutron monitors installed at the Yangbajing Comic Ray Observatory. The event, lasting for ∼40  min, was observed on July 22, 2010. The solar-neutron telescope detected significant γ-ray signals with energies >40  MeV in the event. Such a prolonged high-energy event has never been observed in association with thunderclouds, clearly suggesting that electron acceleration lasts for 40 min in thunderclouds. In addition, Monte Carlo simulations showed that >10  MeV γ rays largely contribute to the neutron monitor signals, while >1  keV neutrons produced via a photonuclear reaction contribute relatively less to the signals. This result suggests that enhancements of neutron monitors during thunderstorms are not necessarily clear evidence for neutron production, as previously thought

Performance assessment of drop tube reactor for biomass fast pyrolysis using process simulator

Biomass pyrolysis process from a drop tube reactor was modelled in a plug flow reactor using Aspen Plus process simulation software. A kinetic mechanism for pyrolysis was developed considering the recent improvements and updated kinetic schemes to account for different content of cellulose, hemicellulose, and lignin. In this regard, oak, beechwood, rice straw, and cassava stalk biomasses were analyzed. The main phenomena governing the pyrolysis process are identified in terms of the characteristic times. Pyrolysis process was found to be reaction rate controlled. Effects of pyrolysis temperature on bio-oil, gases, and char yields were evaluated. At optimum pyrolysis conditions (i.e., 500?), a bio-oil yield of 67.3, 64, 43, and 52 wt.% were obtained from oak, beechwood, rice straw, and cassava stalk, respectively. Oak and beechwood were found to give high yields of bio-oil, while rice straw produced high gas and char yields compared to other biomasses. Although temperature is the main factor that plays a key role in the distribution of pyrolysis products, the composition of cellulose, hemicellulose, and lignin in the feedstock also determines the yield behaviour and composition of products. With the rise in pyrolysis temperature, further decomposition of intermediate components was initiated favouring the formation of lighter fractions. Comparably, species belonging to the aldehyde chemical family had the highest share of bio-oil components in all the investigated feedstocks. Overall, the present study shows a good agreement with the experimental study reported in the literature, confirming its validity as a predictive tool for the biomass pyrolysis process

Hubble Space Telescope Near-Ultraviolet Spectroscopy of Bright CEMP-s Stars

We present an elemental-abundance analysis, in the near-ultraviolet (NUV) spectral range, for the bright carbon-enhanced metal-poor (CEMP) stars HD196944 (V = 8.40, [Fe/H] = -2.41) and HD201626 (V = 8.16, [Fe/H] = -1.51), based on data acquired with the Space Telescope Imaging Spectrograph (STIS) on the Hubble Space Telescope. Both of these stars belong to the sub-class CEMP-s, and exhibit clear over-abundances of heavy elements associated with production by the slow neutron-capture process. HD196944 has been well-studied in the optical region, but we are able to add abundance results for six species (Ge, Nb, Mo, Lu, Pt, and Au) that are only accessible in the NUV. In addition, we provide the first determination of its orbital period, P=1325 days. HD201626 has only a limited number of abundance results based on previous optical work -- here we add five new species from the NUV, including Pb. We compare these results with models of binary-system evolution and s-process element production in stars on the asymptotic giant branch, aiming to explain their origin and evolution. Our best-fitting models for HD 196944 (M1,i = 0.9Mo, M2,i = 0.86Mo, for [Fe/H]=-2.2), and HD 201626 (M1,i = 0.9Mo , M2,i = 0.76Mo , for [Fe/H]=-2.2; M1,i = 1.6Mo , M2,i = 0.59Mo, for [Fe/H]=-1.5) are consistent with the current accepted scenario for the formation of CEMP-s stars.Comment: 25 pages, 13 figures; accepted for publication in Ap

Detection of low Eu abundances in extremely metal-poor stars and the origin of r-process elements

We report abundance analyses of three extremely metal-poor stars with [Fe/H] $\lesssim -3$, using the Subaru High Dispersion Spectrograph (HDS). All are found to have sub-solar values of [Eu/Fe]. Comparison with our chemical evolution model of the Galactic halo implies the dominant source of Eu to be the low-mass end of the supernova mass range. Future studies of stars with low Eu abundances will be important to determine the r-process site.Comment: 7 pages, 2 figures, accepted for publication in the Astrophysical Journal Letter

Malignant Mesothelioma in the Thoracic Cavity of a Crj:CD(SD) Rat Characterized by Round Hyalinous Stroma

Spontaneous malignant mesothelioma was found in a 104-week-old male Crj:CD(SD) rat. The tumor was scattered on the surface of the lung, heart, mediastinal pleura and thoracic wall and metastasized to the alveolar septa. Histopathologically, small flattened or cuboidal tumor cells proliferated with stroma, formed almost normal papillary structures and reacted positively to colloidal iron stain and immunohistochemical staining for mesothelin. Round hyalinous stromata were pronounced, which is a characteristic feature, and the possible reason for this is as follows; at first, a small amount of collagen fibers was formed in the center of the clusters of several tumor cells, and then the cell clusters expanded like balloons with an increase in the collagen fibers

Evidence for a companion to BM Gem, a silicate carbon star

Balmer and Paschen continuum emission as well as Balmer series lines of P Cygni-type profile from H_gamma through H_23 are revealed in the violet spectra of BM Gem, a carbon star associated with an oxygen-rich circumstellar shell (`silicate carbon star') observed with the high dispersion spectrograph (HDS) on the Subaru telescope. The blue-shifted absorption in the Balmer lines indicates the presence of an outflow, the line of sight velocity of which is at least 400 km s^-1, which is the highest outflow velocity observed to date in a carbon star. We argue that the observed unusual features in BM Gem are strong evidence for the presence of a companion, which should form an accretion disk that gives rise to both an ionized gas region and a high velocity, variable outflow. The estimated luminosity of ~0.2 (0.03-0.6) L_sun for the ionized gas can be maintained by a mass accretion rate to a dwarf companion of ~10^-8 M_sun yr^-1, while ~10^-10 M_sun yr^-1 is sufficient for accretion to a white dwarf companion. These accretion rates are feasible for some detached binary configurations on the basis of the Bond-Hoyle type accretion process. We concluded that the carbon star BM Gem is in a detached binary system with a companion of low mass and low luminosity. However, we are unable to determine whether this companion object is a dwarf or a white dwarf. The upper limits for binary separation are 210 AU and 930 AU for a dwarf and a white dwarf, respectively. We also note that the observed features of BM Gem mimic those of Mira (omi Cet), which may suggest actual similarities in their binary configurations and circumstellar structures.Comment: 11 pages, 2 figures, 1 table, accepted for publication in Ap