Textural Properties of a Large Collection of Computationally Constructed MOFs and Zeolites

Metal\u2013organic frameworks (MOFs) are porous crystals with the potential to improve many industrial gas adsorption and separations processes. Because MOFs are synthesized in a \u2018\u2018building block\u2019\u2019 fashion and can incorporate a wide range of organic linkers, an almost unlimited number of different MOFs are possible. Here, we applied high-throughput computational analysis methods to 137,000 hypothetical MOFs and calculated their geometric and adsorption properties. For every structure and its energy minimized counterpart, we calculated the underlying net (framework topology), pore limiting diameter, largest cavity diameter, accessible void volume, accessible surface area, as well as the Henry\u2019s constant and equilibrium loading of methane at 35 bar and 298 K. The analysis showed that these hypothetical MOFs have a wide range of geometric properties but lack topological diversity. The analysis also provides insights into the geometric method used to generate the hypothetical MOFs. Finally, we compared with hypothetical zeolites, finding that for the materials analyzed here, the MOFs tend to be more texturally diverse than the zeolites

The systematic study of the influence of neutron excess on the fusion cross sections using different proximity-type potentials

Using different types of proximity potentials, we have examined the trend of variations of barrier characteristics (barrier height and its position) as well as fusion cross sections for 50 isotopic systems including various collisions of C, O, Mg, Si, S, Ca, Ar, Ti and Ni nuclei with $1\leq N/Z < 1.6$ condition for compound systems. The results of our studies reveal that the relationships between increase of barrier positions and decrease of barrier heights are both linear with increase of $N/Z$ ratio. Moreover, fusion cross sections also enhance linearly with increase of this ratio.Comment: 28 pages, 7 figures, 5 Table

Extragalactic jets on subpc and large scales

Jets can be probed in their innermost regions (d~0.1 pc) through the study of the relativistically-boosted emission of blazars. On the other extreme of spatial scales, the study of structure and dynamics of extragalactic relativistic jets received renewed impulse after the discovery, made by Chandra, of bright X-ray emission from regions at distances larger than hundreds of kpc from the central engine. At both scales it is thus possible to infer some of the basic parameters of the flow (speed, density, magnetic field intensity, power). After a brief review of the available observational evidence, I discuss how the comparison between the physical quantities independently derived at the two scales can be used to shed light on the global dynamics of the jet, from the innermost regions to the hundreds of kpc scale.Comment: Proceedings of the 5th Stromlo Symposium: Disks, Winds, and Jets - from Planets to Quasars. Accepted, to be published in Astrophysics & Space Scienc

The balance of power: accretion and feedback in stellar mass black holes

In this review we discuss the population of stellar-mass black holes in our galaxy and beyond, which are the extreme endpoints of massive star evolution. In particular we focus on how we can attempt to balance the available accretion energy with feedback to the environment via radiation, jets and winds, considering also possible contributions to the energy balance from black hole spin and advection. We review quantitatively the methods which are used to estimate these quantities, regardless of the details of the astrophysics close to the black hole. Once these methods have been outlined, we work through an outburst of a black hole X-ray binary system, estimating the flow of mass and energy through the different accretion rates and states. While we focus on feedback from stellar mass black holes in X-ray binary systems, we also consider the applicability of what we have learned to supermassive black holes in active galactic nuclei. As an important control sample we also review the coupling between accretion and feedback in neutron stars, and show that it is very similar to that observed in black holes, which strongly constrains how much of the astrophysics of feedback can be unique to black holes.Comment: To be published in Haardt et al. Astrophysical Black Holes. Lecture Notes in Physics. Springer 201

Effect of alloying elements on the electronic properties of thin passive films formed on carbon steel, ferritic and austenitic stainless steels in a highly concentrated LiBr solution

The influence of alloying elements on the electrochemical and semiconducting properties of thin passive films formed on several steels (carbon steel, ferritic and austenitic stainless steels) has been studied in a highly concentrated lithium bromide (LiBr) solution at 25 °C, by means of potentiodynamic tests and Mott-Schottky analysis. The addition of Cr to carbon steel promoted the formation of a p-type semiconducting region in the passive film. A high Ni content modified the electronic behaviour of highly alloyed austenitic stainless steels. Mo did not modify the electronic structure of the passive films, but reduced the concentration of defects

Passive and transpassive behaviour of Alloy 31 in a heavy brine LiBr solution

The passive and transpassive behaviour of Alloy 31, a highly alloyed austenitic stainless steel (UNS N08031), has been investigated in a LiBr heavy brine solution (400 g/l) at 25 °C using potentiostatic polarisation combined with electrochemical impedance spectroscopy and Mott-Schottky analysis. The passive film formed on Alloy 31 has been found to be p-type and/or n-type in electronic character, depending on the film formation potential. The thickness of the film formed at potentials within the passive region increases linearly with applied potential. The film formed at transpassive potentials is thinner and more conductive than the film formed within the passive region. These observations are consistent with the predictions of the Point Defect Model for passive and transpassive films on metals and alloys

Genetic drivers of kidney defects in the digeorge syndrome

BACKGROUND The DiGeorge syndrome, the most common of the microdeletion syndromes, affects multiple organs, including the heart, the nervous system, and the kidney. It is caused by deletions on chromosome 22q11.2; the genetic driver of the kidney defects is unknown. METHODS We conducted a genomewide search for structural variants in two cohorts: 2080 patients with congenital kidney and urinary tract anomalies and 22,094 controls. We performed exome and targeted resequencing in samples obtained from 586 additional patients with congenital kidney anomalies. We also carried out functional studies using zebrafish and mice. RESULTS We identified heterozygous deletions of 22q11.2 in 1.1% of the patients with congenital kidney anomalies and in 0.01% of population controls (odds ratio, 81.5; P = 4.5×1014). We localized the main drivers of renal disease in the DiGeorge syndrome to a 370-kb region containing nine genes. In zebrafish embryos, an induced loss of function in snap29, aifm3, and crkl resulted in renal defects; the loss of crkl alone was sufficient to induce defects. Five of 586 patients with congenital urinary anomalies had newly identified, heterozygous protein-Altering variants, including a premature termination codon, in CRKL. The inactivation of Crkl in the mouse model induced developmental defects similar to those observed in patients with congenital urinary anomalies. CONCLUSIONS We identified a recurrent 370-kb deletion at the 22q11.2 locus as a driver of kidney defects in the DiGeorge syndrome and in sporadic congenital kidney and urinary tract anomalies. Of the nine genes at this locus, SNAP29, AIFM3, and CRKL appear to be critical to the phenotype, with haploinsufficiency of CRKL emerging as the main genetic driver

First measurement of the circular beam asymmetry in the gamma p --> pi0 eta p reaction

The circular photon asymmetry for pi0 eta photoproduction on the proton was measured for the first time at the tagged photon facility of the MAMI C accelerator using the Crystal Ball/TAPS photon spectrometer. The experimental results are interpreted within a phenomenological isobar model that confirms the dominant role of the Delta(1700)D33 resonance. The measured asymmetry allows us to identify small contributions from positive-parity resonances via interference terms with the dominant D33 amplitude.Comment: 11 pages, 3 figures, submitted to Phys.Lett.

TESS Cycle 1 observations of roAp stars with 2-min cadence data

We present the results of a systematic search for new rapidly oscillating Ap (roAp) stars using the 2-min cadence data collected by the Transiting Exoplanet Survey Satellite (TESS) during its Cycle 1 observations. We identify 12 new roAp stars. Amongst these stars we discover the roAp star with the longest pulsation period, another with the shortest rotation period, and six with multiperiodic variability. In addition to these new roAp stars, we present an analysis of 44 known roAp stars observed by TESS during Cycle 1, providing the first high-precision and homogeneous sample of a significant fraction of the known roAp stars. The TESS observations have shown that almost 60 per cent (33) of our sample of stars are multiperiodic, providing excellent cases to test models of roAp pulsations, and from which the most rewarding asteroseismic results can be gleaned. We report four cases of the occurrence of rotationally split frequency multiplets that imply different mode geometries for the same degree modes in the same star. This provides a conundrum in applying the oblique pulsator model to the roAp stars. Finally, we report the discovery of non-linear mode interactions in $\alpha$ Cir (TIC 402546736, HD 128898) around the harmonic of the principal mode -- this is only the second case of such a phenomenon...

Heterosis and genetic parameters for grain quality in oat segregating populations

ABSTRACT Improvement of quality-related traits of grains is a constant concern in white oat breeding programs, which challenges breeders to understand their dynamics. The performance of different genetic combinations must be thoroughly evaluated to make high nutritional quality cultivars available. This study aimed to estimate the heterosis on F1 and F2 generations, vigor loss, due to inbreeding, and correlation between the grain chemical components to understand the dynamics of these traits, considering two segregating oat progenies. The populations Albasul × UPF 15 (population 1) and IAC 7 × UFRGS 19 (population 2) were developed. Both populations showed transgressive segregant individuals. The combination Albasul × UPF 15 provided significant heterosis for traits &#946;-glucan total and soluble fiber contents, while the population obtained by crossing IAC 7 × UFRGS 19 generated significant gain by heterosis for total fiber, insoluble fibers and non-structural carbohydrate contents. Considering the F2 average for each population, one can observe that population 1 presents higher &#946;-glucan and lipid contents than population 2. On the other hand, population 2 has higher protein content than population 1. In both populations, the non-structural carbohydrate content is strongly and negatively correlated whith protein, total and insoluble fibers. Correlations between total fibers and lipids and between total fibers and insoluble fibers were both positive and high in both populations