Three-dimensional structure of human serum albumin

The binding locations to human serum albumin (HSA) of several drug molecules were determined at low resolution using crystallographic methods. The principal binding sites are located within subdomains IIA and IIIA. Preliminary studies suggest that an approach to increasing the in vivo efficacy of drugs which are rendered less effective or ineffective by virtue of their interaction with HSA, would be the use of competitive displacement in drug therapies and/or the development of a general inhibitor to the site within subdomain IIIA. These findings also suggest that the facilitated transfer of various ligands across organ/circulatory interfaces such as liver, kidney, and brain may be associated with binding to the IIIA subdomain

EXONEST: The Bayesian Exoplanetary Explorer

The fields of astronomy and astrophysics are currently engaged in an unprecedented era of discovery as recent missions have revealed thousands of exoplanets orbiting other stars. While the Kepler Space Telescope mission has enabled most of these exoplanets to be detected by identifying transiting events, exoplanets often exhibit additional photometric effects that can be used to improve the characterization of exoplanets. The EXONEST Exoplanetary Explorer is a Bayesian exoplanet inference engine based on nested sampling and originally designed to analyze archived Kepler Space Telescope and CoRoT (Convection Rotation et Transits plan\'etaires) exoplanet mission data. We discuss the EXONEST software package and describe how it accommodates plug-and-play models of exoplanet-associated photometric effects for the purpose of exoplanet detection, characterization and scientific hypothesis testing. The current suite of models allows for both circular and eccentric orbits in conjunction with photometric effects, such as the primary transit and secondary eclipse, reflected light, thermal emissions, ellipsoidal variations, Doppler beaming and superrotation. We discuss our new efforts to expand the capabilities of the software to include more subtle photometric effects involving reflected and refracted light. We discuss the EXONEST inference engine design and introduce our plans to port the current MATLAB-based EXONEST software package over to the next generation Exoplanetary Explorer, which will be a Python-based open source project with the capability to employ third-party plug-and-play models of exoplanet-related photometric effects.Comment: 30 pages, 8 figures, 5 tables. Presented at the 37th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering (MaxEnt 2017) in Jarinu/SP Brasi

Cool Jupiters greatly outnumber their toasty siblings : Occurrence rates from the Anglo-Australian Planet Search

This article has been accepted for publication in Monthly Notices of the Royal Astronomical Society ©2019 The Authors. Published by Oxford University Press on behalf of the Royal Astronomical Society. All rights reserved.Our understanding of planetary systems different to our own has grown dramatically in the past 30 yr. However, our efforts to ascertain the degree to which the Solar system is abnormal or unique have been hindered by the observational biases inherent to the methods that have yielded the greatest exoplanet hauls. On the basis of such surveys, one might consider our planetary system highly unusual - but the reality is that we are only now beginning to uncover the true picture. In this work, we use the full 18-yr archive of data from the Anglo-Australian Planet Search to examine the abundance of 'cool Jupiters' - analogues to the Solar system's giant planets, Jupiter and Saturn. We find that such planets are intrinsically far more common through the cosmos than their siblings, the hot Jupiters.We find that the occurrence rate of such 'cool Jupiters' is 6.73 +2.09 -1.13 per cent, almost an order of magnitude higher than the occurrence of hot Jupiters (at 0.84 +0.70 -0.20 per cent). We also find that the occurrence rate of giant planets is essentially constant beyond orbital distances of ~1 au. Our results reinforce the importance of legacy radial velocity surveys for the understanding of the Solar system's place in the cosmos.Peer reviewe

Dual Computations of Non-abelian Yang-Mills on the Lattice

In the past several decades there have been a number of proposals for computing with dual forms of non-abelian Yang-Mills theories on the lattice. Motivated by the gauge-invariant, geometric picture offered by dual models and successful applications of duality in the U(1) case, we revisit the question of whether it is practical to perform numerical computation using non-abelian dual models. Specifically, we consider three-dimensional SU(2) pure Yang-Mills as an accessible yet non-trivial case in which the gauge group is non-abelian. Using methods developed recently in the context of spin foam quantum gravity, we derive an algorithm for efficiently computing the dual amplitude and describe Metropolis moves for sampling the dual ensemble. We relate our algorithms to prior work in non-abelian dual computations of Hari Dass and his collaborators, addressing several problems that have been left open. We report results of spin expectation value computations over a range of lattice sizes and couplings that are in agreement with our conventional lattice computations. We conclude with an outlook on further development of dual methods and their application to problems of current interest.Comment: v1: 18 pages, 7 figures, v2: Many changes to appendix, minor changes throughout, references and figures added, v3: minor corrections, 22 page

Asymptotic behavior of the Kleinberg model

We study Kleinberg navigation (the search of a target in a d-dimensional lattice, where each site is connected to one other random site at distance r, with probability proportional to r^{-a}) by means of an exact master equation for the process. We show that the asymptotic scaling behavior for the delivery time T to a target at distance L scales as (ln L)^2 when a=d, and otherwise as L^x, with x=(d-a)/(d+1-a) for ad+1. These values of x exceed the rigorous lower-bounds established by Kleinberg. We also address the situation where there is a finite probability for the message to get lost along its way and find short delivery times (conditioned upon arrival) for a wide range of a's

X-raying Abell 2125 -- a Large-scale Hierarchical Complex of Galaxies and Hot Gas

We present an 82 ksec Chandra ACIS-I observation of a large-scale hierarchical complex, which consists of various clusters/groups of galaxies and low-surface brightness X-ray emission at z = 0.247. This high-resolution {\sl Chandra} observation allows us for the first time to separate unambiguously the X-ray contributions from discrete sources and large-scale diffuse hot gas. We detect 99 X-ray sources in a $17^\prime \times 17^\prime$ field. Ten of these sources are identified as members of the complex and are mostly radio-bright. Whereas unresolved X-ray sources tend to be associated with galaxies in intermediate density environments, extended X-ray emission peak at bright radio galaxies in the central cluster. In particular, a distinct X-ray trail appears on one side of the fast-moving galaxy C153, clearly due to ram-pressure stripping. The diffuse X-ray emission from the central cluster can be characterized by a thermal plasma with a characteristic temperature of $3.2_{-0.4}^{+0.5}$ keV and a heavy element abundance of $0.24_{-0.12}^{+0.15}$ solar (90% confidence uncertainties). In comparison, a patch of low-surface brightness X-ray emission apparently originates in relatively low density intergalactic gas with a characteristic temperature of $0.98_{-0.27}^{+0.22}$ keV and an abundance of $\lesssim 0.09$ solar. The Chandra observation, together with extensive multi-wavelength data, indicates that the complex represents a projection of several galaxy sub-structures, which may be undergoing major mergers. We discuss the dynamic states of the complex and its sub-structures as well as properties of X-ray-emitting galaxies and the relationship to their environments.Comment: 18 pages plus figures, to be published in ApJ. A complete high resolution version can be found at http://www.astro.umass.edu/~wqd/papers/a2125

Cohomology of the minimal nilpotent orbit

We compute the integral cohomology of the minimal non-trivial nilpotent orbit in a complex simple (or quasi-simple) Lie algebra. We find by a uniform approach that the middle cohomology group is isomorphic to the fundamental group of the sub-root system generated by the long simple roots. The modulo $\ell$ reduction of the Springer correspondent representation involves the sign representation exactly when $\ell$ divides the order of this cohomology group. The primes dividing the torsion of the rest of the cohomology are bad primes.Comment: 29 pages, v2 : Leray-Serre spectral sequence replaced by Gysin sequence only, corrected typo

Extreme Variability in a Broad Absorption Line Quasar

CRTS J084133.15+200525.8 is an optically bright quasar at z=2.345 that has shown extreme spectral variability over the past decade. Photometrically, the source had a visual magnitude of V~17.3 between 2002 and 2008. Then, over the following five years, the source slowly brightened by approximately one magnitude, to V~16.2. Only ~1 in 10,000 quasars show such extreme variability, as quantified by the extreme parameters derived for this quasar assuming a damped random walk model. A combination of archival and newly acquired spectra reveal the source to be an iron low-ionization broad absorption line (FeLoBAL) quasar with extreme changes in its absorption spectrum. Some absorption features completely disappear over the 9 years of optical spectra, while other features remain essentially unchanged. We report the first definitive redshift for this source, based on the detection of broad H-alpha in a Keck/MOSFIRE spectrum. Absorption systems separated by several 1000 km/s in velocity show coordinated weakening in the depths of their troughs as the continuum flux increases. We interpret the broad absorption line variability to be due to changes in photoionization, rather than due to motion of material along our line of sight. This source highlights one sort of rare transition object that astronomy will now be finding through dedicated time-domain surveys.Comment: 6 pages, 4 figures; accepted for publication in Ap