Structural Coupling Between FKBP12 and Buried Water

Globular proteins often contain structurally well-resolved internal water molecules. Previously, we reported results from a molecular dynamics study that suggested that buried water (Wat3) may play a role in modulating the structure of the FK506 binding protein-12 (FKBP12) (Park and Saven, Proteins 2005; 60:450-463). In particular, simulations suggested that disrupting a hydrogen bond to Wat3 by mutating E60 to either A or Q would cause a structural perturbation involving the distant W59 side chain, which rotates to a new conformation in response to the mutation. This effectively remodels the ligand-binding pocket, as the side chain in the new conformation is likely to clash with bound FK506. To test whether the protein structure is in effect modulated by the binding of a buried water in the distance, we determined high-resolution (0.92-1.29 A) structures of wild-type FKBP12 and its two mutants (E60A, E60Q) by X-ray crystallography. The structures of mutant FKBP12 show that the ligand-binding pocket is indeed remodeled as predicted by the substitution at position 60, even though the water molecule does not directly interact with any of the amino acids of the binding pocket. Thus, these structures support the view that buried water molecules constitute an integral, noncovalent component of the protein structure. Additionally, this study provides an example in which predictions from molecular dynamics simulations are experimentally validated with atomic precision, thus showing that the structural features of protein-water interactions can be reliably modeled at a molecular level

Optical properties of metal nanoparticles with no center of inversion symmetry: observation of volume plasmons

We present theoretical and experimental studies of the optical response of L-shaped silver nanoparticles. The scattering spectrum exhibits several plasmon resonances that depend sensitively on the polarization of the incident electromagnetic field. The physical origin of the resonances is traced to different plasmon phenomena. In particular, a high energy band with unusual properties is interpreted in terms of volume plasmon oscillations arising from the asymmetry of a nanoparticle.Comment: 14 pages, 5 figures. Physical Review B, 2007, accepte

Radio Continuum Emission at 1.4 GHz from KISS Emission-Line Galaxies

We have searched the Faint Images of the Radio Sky at Twenty centimeters (FIRST) and the NRAO VLA Sky Survey (NVSS) 1.4 GHz radio surveys for sources that are coincident with emission-line galaxy (ELG) candidates from the KPNO International Spectroscopic Survey (KISS). A total of 207 of the 2157 KISS ELGs (~10%) in the first two H-alpha-selected survey lists were found to possess radio detections in FIRST and/or NVSS. Follow-up spectra exist for all of the radio detections, allowing us to determine the activity type (star-forming vs. AGN) for the entire sample. We explore the properties of the radio-detected KISS galaxies in order to gain a better insight into the nature of radio-emitting galaxies in the local universe (z < 0.1). No dwarf galaxies were detected, despite the large numbers of low-luminosity galaxies present in KISS, suggesting that lower mass, lower luminosity objects do not possess strong galaxian-scale magnetic fields. Due to the selection technique used for KISS, our radio ELGs represent a quasi-volume-limited sample, which allows us to develop a clearer picture of the radio galaxy population at low redshift. Nearly 2/3rds of the KISS radio galaxies are starburst/star-forming galaxies, which is in stark contrast to the results of flux-limited radio surveys that are dominated by AGNs and elliptical galaxies (i.e., classic radio galaxies). While there are many AGNs among the KISS radio galaxies, there are no objects with large radio powers in our local volume. We derive a radio luminosity function (RLF) for the KISS ELGs that agrees very well with previous RLFs that adequately sample the lower-luminosity radio population.Comment: Accepted for publication in the Astronomical Journal (April 2004); 23 pages, 16 figure

Halo Star Streams in the Solar Neighborhood

We have assembled a sample of halo stars in the solar neighborhood to look for halo substructure in velocity and angular momentum space. Our sample includes red giants, RR Lyrae, and red horizontal branch stars within 2.5 kpc of the Sun with [Fe/H] less than -1.0. It was chosen to include stars with accurate distances, space velocities, and metallicities as well as well-quantified errors. We confirm the existence of the streams found by Helmi and coworkers, which we refer to as the H99 streams. These streams have a double-peaked velocity distribution in the z direction. We use the results of modeling of the H99 streams by Helmi and collaborators to test how one might use v_z velocity information and radial velocity information to detect kinematic substructure in the halo. We find that detecting the H99 streams with radial velocities alone would require a large sample. We use the velocity distribution of the H99 streams to estimate their age. From our model of the progenitor of the H99 streams, we determine that it was accreted between 6 and 9 Gyr ago. The H99 streams have [alpha/Fe] abundances similar to other halo stars in the solar neighborhood, suggesting that the gas that formed these stars were enriched mostly by Type II SNe. We have also discovered in angular momentum space two other possible substructures, which we refer to as the retrograde and prograde outliers. The retrograde outliers are likely to be halo substructure, but the prograde outliers are most likely part of the smooth halo. The retrograde outliers have significant structure in the v_phi direction and show a range of [alpha/Fe]. The methods presented in this paper can be used to exploit the kinematic information present in future large databases like RAVE, SDSSII/SEGUE, and Gaia.Comment: 46 pages, 13 figures, and 9 tables. Minor changes to text to match proofed version of the paper. Low resolution figures. High resolution version at http://www.astro.wisc.edu/~kepley/solar_streams.p

Chromosomes. CENP-C reshapes and stabilizes CENP-A nucleosomes at the centromere

Inheritance of each chromosome depends upon its centromere. A histone H3 variant, centromere protein A (CENP-A), is essential for epigenetically marking centromere location. We find that CENP-A is quantitatively retained at the centromere upon which it is initially assembled. CENP-C binds to CENP-A nucleosomes and is a prime candidate to stabilize centromeric chromatin. Using purified components, we find that CENP-C reshapes the octameric histone core of CENP-A nucleosomes, rigidifies both surface and internal nucleosome structure, and modulates terminal DNA to match the loose wrap that is found on native CENP-A nucleosomes at functional human centromeres. Thus, CENP-C affects nucleosome shape and dynamics in a manner analogous to allosteric regulation of enzymes. CENP-C depletion leads to rapid removal of CENP-A from centromeres, indicating their collaboration in maintaining centromere identity.NIH grants: (GM082989, CA186430, GM008275, GM008216, GM007229); American Heart Association predoctoral fellowship; American Cancer Society postdoctoral fellowship; NSF grant: (agreement DMR-0944772)

Raman spectra and calculated vibrational frequencies of size-selected C16, C18, and C20 clusters

The surface plasmon polariton-enhanced Raman spectra of size-selected C16, C18, and C20 clusters isolated in nitrogen matrices are presented along with the calculated vibrational frequencies for the ring and linear chain isomers. The Raman spectra, recorded at a range of excitation wavelengths from 457.9 to 670 nm, show strong resonance enhancement for the three clusters. The calculated vibrational frequencies for ring and linear chain isomers and the cage and bowl structures for C20 are compared to the experimental frequencies. Systematic shifts in the series of peaks in the 200 cm-1 region for C16, C18, and C20 suggest that the observed isomers have the same geometry, thereby ruling out the bowl and cage isomers for C20. The measured spectra appear to be most consistent with the linear chain isomer. This high-energy isomer may be produced during neutralization of the deposited cluster ions

An anatomy of Turkish football match-fixing

While discussion on corruption in sport is intensifying and football match-fixing in particular is attracting increasing attention, new fixing scandals emerge offering new accounts of actors and corrupt practices within the football industry and the level of the external threat to the sport. The scandal exposure of fixed matches in Turkey in 2011 sheds light on the fixing of 17 matches played in the 2010/11 football season and allowed for insights to the actors, structure and processes behind the fix. Following four criminal and seven disciplinary proceedings, the case is still pending appeal for its final decision, involving a total of 93 suspects and having already resulted in the exclusion of two teams from European competitions. The evidence collected by the authorities points towards a hierarchical criminal organisation led by the President of a football club that arranged and coordinated the fixing in order for his team to win the national Championship. The aim of this article is to provide an account of the organisation and coordination of match-fixing in Turkey, with its actors, specifics and criminal characteristics, while offering an examination of match-fixing for sporting success, the least documented type of match-fixing