Assignment of the 71‐cm−1 Band in Polyethylene

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70272/2/JCPSA6-42-11-4059-1.pd

Analyzing X-Ray Pulsar Profiles: Geometry and Beam Pattern of EXO 2030+375

The pulse profiles of the transient Be/X-ray binary EXO 2030+375 show strong dependence on energy, as well as on its luminosity state, and are asymmetric in shape. We want to identify the emission components of the two magnetic poles in the pulsed emission to understand the geometry of the neutron star and its beam pattern. We utilize a pulse-profile decomposition method that enables us to find two symmetric pulse profiles from the magnetic poles of the neutron star. The symmetry characteristics of these single-pole pulse profiles give information about the position of the magnetic poles of the neutron star relative to its rotation axis. We find a possible geometry for the neutron star in EXO 2030+375 through the decomposition of the pulse profiles, which suggests that one pole gets closer to the line of sight than the other and that, during the revolution of the neutron star, both poles disappear behind the horizon for a short period of time. A considerable fraction of the emission arises from a halo while the pole is facing the observer and from the accretion stream of the other pole while it is behind the neutron star, but the gravitational line bending makes the emission visible to us.Comment: 8 pages, 9 figures, accepted for publication in A&

BlackCAT: A catalogue of stellar-mass black holes in X-ray transients

During the last ~50 years, the population of black hole candidates in X-ray binaries has increased considerably with 59 Galactic objects detected in transient low-mass X-ray binaries, plus a few in persistent systems (including ~5 extragalactic binaries). We collect near-infrared, optical and X-ray information spread over hundreds of references in order to study the population of black holes in X-ray transients as a whole. We present the most updated catalogue of black hole transients, which contains X-ray, optical and near-infrared observations together with their astrometric and dynamical properties. It provides new useful information in both statistical and observational parameters providing a thorough and complete overview of the black hole population in the Milky Way. Analysing the distances and spatial distribution of the observed systems, we estimate a total population of ~1300 Galactic black hole transients. This means that we have already discovered less than ~5% of the total Galactic distribution. The complete version of this catalogue will be continuously updated online and in the Virtual Observatory, including finding charts and data in other wavelengths.Comment: http://www.astro.puc.cl/BlackCAT - Accepted for publication in Astronomy & Astrophysics. 20 pages, 8 figures, 5 Table

Two-Dimensional Infrared Spectroscopy of Antiparallel β-Sheet Secondary Structure

We investigate the sensitivity of femtosecond Fourier transform two-dimensional infrared spectroscopy to protein secondary structure with a study of antiparallel β-sheets. The results show that 2D IR spectroscopy is more sensitive to structural differences between proteins than traditional infrared spectroscopy, providing an observable that allows comparison to quantitative models of protein vibrational spectroscopy. 2D IR correlation spectra of the amide I region of poly-L-lysine, concanavalin A, ribonuclease A, and lysozyme show cross-peaks between the IR-active transitions that are characteristic of amide I couplings for polypeptides in antiparallel hydrogen-bonding registry. For poly-L-lysine, the 2D IR spectrum contains the eight-peak structure expected for two dominant vibrations of an extended, ordered antiparallel β-sheet. In the proteins with antiparallel β-sheets, interference effects between the diagonal and cross-peaks arising from the sheets, combined with diagonally elongated resonances from additional amide transitions, lead to a characteristic “Z”-shaped pattern for the amide I region in the 2D IR spectrum. We discuss in detail how the number of strands in the sheet, the local configurational disorder in the sheet, the delocalization of the vibrational excitation, and the angle between transition dipole moments affect the position, splitting, amplitude, and line shape of the cross-peaks and diagonal peaks.

Ab initio theory of helix-coil phase transition

In this paper we suggest a theoretical method based on the statistical mechanics for treating the alpha-helix-random coil transition in alanine polypeptides. We consider this process as a first-order phase transition and develop a theory which is free of model parameters and is based solely on fundamental physical principles. It describes essential thermodynamical properties of the system such as heat capacity, the phase transition temperature and others from the analysis of the polypeptide potential energy surface calculated as a function of two dihedral angles, responsible for the polypeptide twisting. The suggested theory is general and with some modification can be applied for the description of phase transitions in other complex molecular systems (e.g. proteins, DNA, nanotubes, atomic clusters, fullerenes).Comment: 24 pages, 3 figure

Evidence for energy injection and a fine-tuned central engine at optical wavelengths in GRB 070419A

We present a comprehensive multiwavelength temporal and spectral analysis of the FRED GRB 070419A. The early-time emission in the $\gamma$-ray and X-ray bands can be explained by a central engine active for at least 250 s, while at late times the X-ray light curve displays a simple power-law decay. In contrast, the observed behaviour in the optical band is complex (from 10$^2$ up to 10$^6$ s). We investigate the light curve behaviour in the context of the standard forward/reverse shock model; associating the peak in the optical light curve at $\sim$450 s with the fireball deceleration time results in a Lorenz factor $\Gamma \approx 350$ at this time. In contrast, the shallow optical decay between 450 and 1500 s remains problematic, requiring a reverse shock component whose typical frequency is above the optical band at the optical peak time for it to be explained within the standard model. This predicts an increasing flux density for the forward shock component until t $\sim$ 4 $\times$ 10$^6$ s, inconsistent with the observed decay of the optical emission from t $\sim$ 10$^4$ s. A highly magnetized fireball is also ruled out due to unrealistic microphysic parameters and predicted light curve behaviour that is not observed. We conclude that a long-lived central engine with a finely tuned energy injection rate and a sudden cessation of the injection is required to create the observed light curves - consistent with the same conditions that are invoked to explain the plateau phase of canonical X-ray light curves of GRBs.Comment: 9 pages, 10 figures, accepted for publication in MNRA

Integrating the Fermi Gamma-Ray Burst Monitor into the 3rd Interplanetary Network

We are integrating the Fermi Gamma-Ray Burst Monitor (GBM) into the Interplanetary Network (IPN) of Gamma-Ray Burst (GRB) detectors. With the GBM, the IPN will comprise 9 experiments. This will 1) assist the Fermi team in understanding and reducing their systematic localization uncertainties, 2) reduce the sizes of the GBM and Large Area Telescope (LAT) error circles by 1 to 4 orders of magnitude, 3) facilitate the identification of GRB sources with objects found by ground- and space-based observatories at other wavelengths, from the radio to very high energy gamma-rays, 4) reduce the uncertainties in associating some LAT detections of high energy photons with GBM bursts, and 5) facilitate searches for non-electromagnetic GRB counterparts, particularly neutrinos and gravitational radiation. We present examples and demonstrate the synergy between Fermi and the IPN. This is a Fermi Cycle 2 Guest Investigator project.Comment: 5 pages, 11 figures. 2009 Fermi Symposium. eConf Proceedings C09112

The ultraluminous GRB 110918A

GRB 110918A is the brightest long GRB detected by Konus-WIND during its 19 years of continuous observations and the most luminous GRB ever observed since the beginning of the cosmological era in 1997. We report on the final IPN localization of this event and its detailed multiwavelength study with a number of space-based instruments. The prompt emission is characterized by a typical duration, a moderare $E_{peak}$ of the time-integrated spectrum, and strong hard-to-soft evolution. The high observed energy fluence yields, at z=0.984, a huge isotropic-equivalent energy release $E_{iso}=(2.1\pm0.1)\times10^{54}$ erg. The record-breaking energy flux observed at the peak of the short, bright, hard initial pulse results in an unprecedented isotropic-equivalent luminosity $L_{iso}=(4.7\pm0.2)\times10^{54}$erg s$^{-1}$. A tail of the soft gamma-ray emission was detected with temporal and spectral behavior typical of that predicted by the synchrotron forward-shock model. Swift/XRT and Swift/UVOT observed the bright afterglow from 1.2 to 48 days after the burst and revealed no evidence of a jet break. The post-break scenario for the afterglow is preferred from our analysis, with a hard underlying electron spectrum and ISM-like circumburst environment implied. We conclude that, among multiple reasons investigated, the tight collimation of the jet must have been a key ingredient to produce this unusually bright burst. The inferred jet opening angle of 1.7-3.4 deg results in reasonable values of the collimation-corrected radiated energy and the peak luminosity, which, however, are still at the top of their distributions for such tightly collimated events. We estimate a detection horizon for a similar ultraluminous GRB of $z\sim7.5$ for Konus-WIND, and $z\sim12$ for Swift/BAT, which stresses the importance of GRBs as probes of the early Universe.Comment: 22 pages, 20 figures, accepted for publication in Ap

Vibrational Spectra of a Mechanosensitive Channel

We report the simulated vibrational spectra of a mechanosensitive membrane channel in different gating states. Our results show that while linear absorption is insensitive to structural differences, linear dichroism and sum-frequency generation spectroscopies are sensitive to the orientation of the transmembrane helices, which is changing during the opening process. Linear dichroism cannot distinguish an intermediate structure from the closed structure, but sum-frequency generation can. In addition, we find that two-dimensional infrared spectroscopy can be used to distinguish all three investigated gating states of the mechanosensitive membrane channel.