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

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

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

Primary mucinous carcinoma of the skin: a case of metastasis after 10 years of disease-free interval

Primary mucinous carcinoma of the skin (MCS) is a rare neoplasm. Clinically, it has a high local recurrence rate, but it is known to be a slow-growing benign tumor with a rare incidence of distant metastases. We present a case of primary MCS on the jaw that underwent tumor resection twice and was disease-free for 10 years after the second surgery. The patient had no evidence of local recurrence and distant metastasis until his 11th year follow-up. At that time, he was diagnosed with lung and bone metastasis and died 3 years after this. To our knowledge, this is the first case of MCS that presented with metastasis with more than 10-year disease-free interval. Since MCS is a slow-growing asymptomatic tumor, distant metastasis is difficult to diagnose without detailed radiological examination. We believe that computed tomography and resonance imaging should be performed for early diagnosis of metastasis even for cases with long-term disease-free interval, especially cases of local recurrence

Probing the Disk-jet Connection of the Radio Galaxy 3C120 Observed with Suzaku

Broad line radio galaxies (BLRGs) are a rare type of radio-loud AGN, in which the broad optical permitted emission lines have been detected in addition to the extended jet emission. Here we report on deep (40ksec x4) observations of the bright BLRG 3C~120 using Suzaku. The observations were spaced a week apart, and sample a range of continuum fluxes. An excellent broadband spectrum was obtained over two decades of frequency (0.6 to 50 keV) within each 40 ksec exposure. We clearly resolved the iron K emission line complex, finding that it consists of a narrow K_a core (sigma ~ 110 eV or an EW of 60 eV), a 6.9 keV line, and an underlying broad iron line. Our confirmation of the broad line contrasts with the XMM-Newton observation in 2003, where the broad line was not required. The most natural interpretation of the broad line is iron K line emission from a face-on accretion disk which is truncated at ~10 r_g. Above 10 keV, a relatively weak Compton hump was detected (reflection fraction of R ~ 0.6), superposed on the primary X-ray continuum of Gamma ~ 1.75. Thanks to the good photon statistics and low background of the Suzaku data, we clearly confirm the spectral evolution of 3C120, whereby the variability amplitude decreases with increasing energy. More strikingly, we discovered that the variability is caused by a steep power-law component of Gamma ~2.7, possibly related to the non-thermal jet emission. We discuss our findings in the context of similarities and differences between radio-loud/quiet objects

The Origin of Carbon-Enhancement and Initial Mass Function of Extremely Metal-Poor Stars in the Galactic Halo

It is known that the carbon-enhanced, extremely metal-poor (CEMP) stars constitute a substantial proportion in the extremely metal-poor (EMP) stars of the Galactic Halo, by far larger than CH stars in Population II stars. We investigate their origin with taking into account an additional evolutionary path to the surface carbon-enrichment, triggered by hydrogen engulfment by the helium flash convection, in EMP stars of $[Fe/H] \lesssim -2.5$. This process is distinct from the third dredge-up operating in more metal-rich stars and also in EMP stars. In binary systems of EMP stars, the secondary stars become CEMP stars through mass transfer from the primary stars of low and intermediate masses, which have developed the surface carbon-enhancement. Our binary scenario can predict the variations in the abundances not only for carbon but also for nitrogen and s-process elements and reasonably explain the observed properties such as the stellar distributions with respect to the carbon abundances, the binary periods, and the evolutionary stages. Furthermore, from the observed frequencies of CEMP stars with and without s-process element enhancement, we demonstrate that the initial mass function of EMP stars need to give the mean mass ~10\msun under the reasonable assumptions on the distributions of orbital separations and mass ratio of binary components. This also indicates that the currently observed EMP stars were exclusively born as the secondary members of binaries, making up $\sim 10$ remnants of EMP binary systems of mass ~10^8\msun in total; in addition to CEMP stars with white dwarf companions, a significant fraction of them have experienced supernova explosions of their companions. We discuss the implications of the present results in relation to the formation of Galactic halo.Comment: 66 pages, 12 figures, 2 tables Accepted for publication in Ap