The High Energy Emission of the Crab Nebula from 20 keV to 6 MeV with INTEGRAL

The SPI spectrometer aboard the INTEGRAL mission observes regularly the Crab Nebula since 2003. We report on observations distributed over 5.5 years and investigate the variability of the intensity and spectral shape of this remarkable source in the hard X-rays domain up to a few MeV. While single power law models give a good description in the X-ray domain (mean photon index ~ 2.05) and MeV domain (photon index ~ 2.23), crucial information are contained in the evolution of the slope with energy between these two values. This study has been carried out trough individual observations and long duration (~ 400 ks) averaged spectra. The stability of the emission is remarkable and excludes a single power law model. The slopes measured below and above 100 keV agree perfectly with the last values reported in the X-ray and MeV regions respectively, but without indication of a localized break point. This suggests a gradual softening in the emission around 100 keV and thus a continuous evolution rather than an actual change in the mechanism parameters. In the MeV region, no significant deviation from the proposed power law model is visible up to 5-6 MeV. Finally, we take advantage of the spectroscopic capability of the instrument to seek for previously reported spectral features in the covered energy range with negative results for any significant cyclotron or annihilation emission on 400 ks timescales. Beyond the scientific results, the performance and reliability of the SPI instrument is explicitly demonstrated, with some details about the most appropriate analysis method.Comment: accepted for publication in ApJ; 4 figures, 2 table

Stochastic Rainfall-runoff Model with Explicit Soil Moisture Dynamics

Stream runoff is perhaps the most poorly represented process in ecohydrological stochastic soil moisture models. Here we present a rainfall-runoff model with a new stochastic description of runoff linked to soil moisture dynamics. We describe the rainfall-runoff system as the joint probability density function (PDF) of rainfall, soil moisture and runoff forced by random, instantaneous jumps of rainfall. We develop a master equation for the soil moisture PDF that accounts explicitly for a general state-dependent rainfall-runoff transformation. This framework is then used to derive the joint rainfall-runoff and soil moisture-runoff PDFs. Runoff is initiated by a soil moisture threshold and a linear progressive partitioning of rainfall based on the soil moisture status. We explore the dependence of the PDFs on the rainfall occurrence PDF (homogeneous or state-dependent Poisson process) and the rainfall magnitude PDF (exponential or mixed-exponential distribution). We calibrate the model to 63 years of rainfall and runoff data from the Upper Little Tennessee watershed (USA) and show how the new model can reproduce the measured runoff PDF

Convergence improvement for coupled cluster calculations

Convergence problems in coupled-cluster iterations are discussed, and a new iteration scheme is proposed. Whereas the Jacobi method inverts only the diagonal part of the large matrix of equation coefficients, we invert a matrix which also includes a relatively small number of off-diagonal coefficients, selected according to the excitation amplitudes undergoing the largest change in the coupled cluster iteration. A test case shows that the new IPM (inversion of partial matrix) method gives much better convergence than the straightforward Jacobi-type scheme or such well-known convergence aids as the reduced linear equations or direct inversion in iterative subspace methods.Comment: 7 pages, IOPP styl

Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory

We establish a formal connection between the particle-particle (pp) random phase approximation (RPA) and the ladder channel of the coupled cluster doubles (CCD) equations. The relationship between RPA and CCD is best understood within a Bogoliubov quasiparticle (qp) RPA formalism. This work is a follow-up to our previous formal proof on the connection between particle-hole (ph) RPA and ring-CCD. Whereas RPA is a quasibosonic approximation, CC theory is a correct bosonization in the sense that the wavefunction and Hilbert space are exactly fermionic. Coupled cluster theory achieves this goal by interacting the ph (ring) and pp (ladder) diagrams via a third channel that we here call "crossed-ring" whose presence allows for full fermionic antisymmetry. Additionally, coupled cluster incorporates what we call "mosaic" terms which can be absorbed into defining a new effective one-body Hamiltonian. The inclusion of these mosaic terms seems to be quite important. The pp-RPA an d qp-RPA equations are textbook material in nuclear structure physics but are largely unknown in quantum chemistry, where particle number fluctuations and Bogoliubov determinants are rarely used. We believe that the ideas and connections discussed in this paper may help design improved ways of incorporating RPA correlation into density functionals based on a CC perspective

Nonnegative subtheories and quasiprobability representations of qubits

Negativity in a quasiprobability representation is typically interpreted as an indication of nonclassical behavior. However, this does not preclude states that are non-negative from exhibiting phenomena typically associated with quantum mechanics - the single qubit stabilizer states have non-negative Wigner functions and yet play a fundamental role in many quantum information tasks. We seek to determine what other sets of quantum states and measurements for a qubit can be non-negative in a quasiprobability representation, and to identify nontrivial unitary groups that permute the states in such a set. These sets of states and measurements are analogous to the single qubit stabilizer states. We show that no quasiprobability representation of a qubit can be non-negative for more than four bases and that the non-negative bases in any quasiprobability representation must satisfy certain symmetry constraints. We provide an exhaustive list of the sets of single qubit bases that are non-negative in some quasiprobability representation and are also permuted by a nontrivial unitary group. This list includes two families of three bases that both include the single qubit stabilizer states as a special case and a family of four bases whose symmetry group is the Pauli group. For higher dimensions, we prove that there can be no more than 2^{d^2} states in non-negative bases of a d-dimensional Hilbert space in any quasiprobability representation. Furthermore, these bases must satisfy certain symmetry constraints, corresponding to requiring the bases to be sufficiently complementary to each other.Comment: 17 pages, 8 figures, comments very welcome; v2 published version. Note that the statement and proof of Theorem III.2 in the published version are incorrect (an erratum has been submitted), and this arXiv version (v2) presents the corrected theorem and proof. The conclusions of the paper are unaffected by this correctio

MACiE: a database of enzyme reaction mechanisms.

SUMMARY: MACiE (mechanism, annotation and classification in enzymes) is a publicly available web-based database, held in CMLReact (an XML application), that aims to help our understanding of the evolution of enzyme catalytic mechanisms and also to create a classification system which reflects the actual chemical mechanism (catalytic steps) of an enzyme reaction, not only the overall reaction. AVAILABILITY: http://www-mitchell.ch.cam.ac.uk/macie/.EPSRC (G.L.H. and J.B.O.M.), the BBSRC (G.J.B. and J.M.T.—CASE studentship in association with Roche Products Ltd; N.M.O.B. and J.B.O.M.—grant BB/C51320X/1), the Chilean Government’s Ministerio de Planificacio´n y Cooperacio´n and Cambridge Overseas Trust (D.E.A.) for funding and Unilever for supporting the Centre for Molecular Science Informatics.application note restricted to 2 printed pages web site: http://www-mitchell.ch.cam.ac.uk/macie

Impact of tumor-specific targeting on the biodistribution and efficacy of siRNA nanoparticles measured by multimodality in vivo imaging

Targeted delivery represents a promising approach for the development of safer and more effective therapeutics for oncology applications. Although macromolecules accumulate nonspecifically in tumors through the enhanced permeability and retention (EPR) effect, previous studies using nanoparticles to deliver chemotherapeutics or siRNA demonstrated that attachment of cell-specific targeting ligands to the surface of nanoparticles leads to enhanced potency relative to nontargeted formulations. Here, we use positron emission tomography (PET) and bioluminescent imaging to quantify the in vivo biodistribution and function of nanoparticles formed with cyclodextrin-containing polycations and siRNA. Conjugation of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid to the 5' end of the siRNA molecules allows labeling with 64Cu for PET imaging. Bioluminescent imaging of mice bearing luciferase-expressing Neuro2A s.c. tumors before and after PET imaging enables correlation of functional efficacy with biodistribution data. Although both nontargeted and transferrin-targeted siRNA nanoparticles exhibit similar biodistribution and tumor localization by PET, transferrin-targeted siRNA nanoparticles reduce tumor luciferase activity by {approx}50% relative to nontargeted siRNA nanoparticles 1 d after injection. Compartmental modeling is used to show that the primary advantage of targeted nanoparticles is associated with processes involved in cellular uptake in tumor cells rather than overall tumor localization. Optimization of internalization may therefore be key for the development of effective nanoparticle-based targeted therapeutics

A Power Variance Test for Nonstationarity in Complex-Valued Signals

We propose a novel algorithm for testing the hypothesis of nonstationarity in complex-valued signals. The implementation uses both the bootstrap and the Fast Fourier Transform such that the algorithm can be efficiently implemented in O(NlogN) time, where N is the length of the observed signal. The test procedure examines the second-order structure and contrasts the observed power variance - i.e. the variability of the instantaneous variance over time - with the expected characteristics of stationary signals generated via the bootstrap method. Our algorithmic procedure is capable of learning different types of nonstationarity, such as jumps or strong sinusoidal components. We illustrate the utility of our test and algorithm through application to turbulent flow data from fluid dynamics

Degradation and reuse of radiative thermal protection system materials for the space shuttle

Three silicide coated columbium alloys and two cobalt alloys were subjected to identical simulated reentry profiling exposures in both static (controlled vacuum leak) and dynamic (hypersonic plasma shear) environments. Primary emphasis in the columbium alloy evaluation was on the Cb752 and C129Y alloys with a lesser amount on FS85. Commercial silicide coatings of the R512E and VH109 formulations were used. The coated specimens were intentionally defected to provide the types of coating flaws that are expected in service. Temperatures were profiled up to peak temperatures of either 2350 F or 2500 F for 15 minutes in each cycle

SXP 7.92: A Recently Rediscovered Be/X-ray Binary in the Small Magellanic Cloud, Viewed Edge On

We present a detailed optical and X-ray study of the 2013 outburst of the Small Magellanic Cloud Be/X-ray binary SXP 7.92, as well as an overview of the last 18 years of observations from OGLE (Optical Gravitational Lensing Experiment), RXTE, Chandra and XMM-Newton. We revise the position of this source to RA(J2000) = 00:57:58.4, Dec(J2000) = −72:22:29.5 with a 1σ uncertainty of 1.5 arcsec, correcting the previously reported position by Coe et al. by more than 20 arcmin. We identify and spectrally classify the correct counterpart as a B1Ve star. The optical spectrum is distinguished by an uncharacteristically deep narrow Balmer series, with the Hα line in particular having a distinctive shell profile, i.e. a deep absorption core embedded in an emission line. We interpret this as evidence that we are viewing the system edge on and are seeing self-obscuration of the circumstellar disc. We derive an optical period for the system of 40.0 ± 0.3 d, which we interpret as the orbital period, and present several mechanisms to describe the X-ray/optical behaviour in the recent outburst, in particular the ‘flares'and ‘dips’ seen in the optical light curve, including a transient accretion disc and an elongated precessing disc