Theoretical Insights into the Nature of Halogen Bonding in Prereactive Complexes

Benchmark quality geometries and interaction energies for the prereactive halogen-bonded complexes of dihalogens and ammonia, including hypothetical astatine containing dihalogens, have been produced via explicitly correlated coupled cluster methods. The application of local electron correlation partitioning reveals dispersion, electrostatics and ionic substitutions all contribute significantly to the interaction energy, with a linear relationship between the ionic substitutions and the degree of charge transfer. Potential energy curves for H3N⋅⋅⋅ClF show that as the relative orientations of the two subunits are manipulated appreciable interactions can be found at considerably angular displaced geometries, signifying lower directionality in halogen bonding than previously supposed

Well-posedness of Hydrodynamics on the Moving Elastic Surface

The dynamics of a membrane is a coupled system comprising a moving elastic surface and an incompressible membrane fluid. We will consider a reduced elastic surface model, which involves the evolution equations of the moving surface, the dynamic equations of the two-dimensional fluid, and the incompressible equation, all of which operate within a curved geometry. In this paper, we prove the local existence and uniqueness of the solution to the reduced elastic surface model by reformulating the model into a new system in the isothermal coordinates. One major difficulty is that of constructing an appropriate iterative scheme such that the limit system is consistent with the original system.Comment: The introduction is rewritte

Modeling event count data in the presence of informative dropout with application to bleeding and transfusion events in myelodysplastic syndrome

In many biomedical studies, it is often of interest to model event count data over the study period. For some patients, we may not follow up them for the entire study period owing to informative dropout. The dropout time can potentially provide valuable insight on the rate of the events. We propose a joint semiparametric model for event count data and informative dropout time that allows for correlation through a Gamma frailty. We develop efficient likelihood-based estimation and inference procedures. The proposed nonparametric maximum likelihood estimators are shown to be consistent and asymptotically normal. Furthermore, the asymptotic covariances of the finite-dimensional parameter estimates attain the semiparametric efficiency bound. Extensive simulation studies demonstrate that the proposed methods perform well in practice. We illustrate the proposed methods through an application to a clinical trial for bleeding and transfusion events in myelodysplastic syndrome

Reionization by active sources and its effects on the cosmic microwave background

We investigate the possible effects of reionization by active sources on the cosmic microwave background. We concentrate on the sources themselves as the origin of reionization, rather than early object formation, introducing an extra period of heating motivated by the active character of the perturbations. Using reasonable parameters, this leads to four possibilities depending on the time and duration of the energy input: delayed last scattering, double last scattering, shifted last scattering and total reionization. We show that these possibilities are only very weakly constrained by the limits on spectral distortions from the COBE FIRAS measurements. We illustrate the effects of these reionization possibilities on the angular power spectrum of temperature anisotropies and polarization for simple passive isocurvature models and simple coherent sources, observing the difference between passive and active models. Finally, we comment on the implications of this work for more realistic active sources, such as causal white noise and topological defect models. We show for these models that non-standard ionization histories can shift the peak in the CMB power to larger angular scales.Comment: 21 pages LaTeX with 11 eps figures; replaced with final version accepted for publication in Phys. Rev.

Reply to Comments

The comments from Englert and Kieser considered an adaptive design, where the over enrollment of the second stage can potentially depend on the observed responses in the first stage. However, such an adaptive design could be challenging because it involves the change of the original two-stage design and hypothesis setting, while the trial is already ongoing. The study protocol may need to be amended, and hence, the integrity of the trial becomes questionable. Furthermore, our method is applicable to the case for which the study team may want to add more subjects after claiming success of the trial based on the Simon two-stage design

Power-law persistence and trends in the atmosphere: A detailed study of long temperature records

We use several variants of the detrended fluctuation analysis to study the appearance of long-term persistence in temperature records, obtained at 95 stations all over the globe. Our results basically confirm earlier studies. We find that the persistence, characterized by the correlation C(s) of temperature variations separated by s days, decays for large s as a power law, C(s) ~ s^(-gamma). For continental stations, including stations along the coastlines, we find that gamma is always close to 0.7. For stations on islands, we find that gamma ranges between 0.3 and 0.7, with a maximum at gamma = 0.4. This is consistent with earlier studies of the persistence in sea surface temperature records where gamma is close to 0.4. In all cases, the exponent gamma does not depend on the distance of the stations to the continental coastlines. By varying the degree of detrending in the fluctuation analysis we obtain also information about trends in the temperature records.Comment: 5 pages, 4 including eps figure

Signatures of Relativistic Neutrinos in CMB Anisotropy and Matter Clustering

We present a detailed analytical study of ultra-relativistic neutrinos in cosmological perturbation theory and of the observable signatures of inhomogeneities in the cosmic neutrino background. We note that a modification of perturbation variables that removes all the time derivatives of scalar gravitational potentials from the dynamical equations simplifies their solution notably. The used perturbations of particle number per coordinate, not proper, volume are generally constant on superhorizon scales. In real space an analytical analysis can be extended beyond fluids to neutrinos. The faster cosmological expansion due to the neutrino background changes the acoustic and damping angular scales of the cosmic microwave background (CMB). But we find that equivalent changes can be produced by varying other standard parameters, including the primordial helium abundance. The low-l integrated Sachs-Wolfe effect is also not sensitive to neutrinos. However, the gravity of neutrino perturbations suppresses the CMB acoustic peaks for the multipoles with l>~200 while it enhances the amplitude of matter fluctuations on these scales. In addition, the perturbations of relativistic neutrinos generate a *unique phase shift* of the CMB acoustic oscillations that for adiabatic initial conditions cannot be caused by any other standard physics. The origin of the shift is traced to neutrino free-streaming velocity exceeding the sound speed of the photon-baryon plasma. We find that from a high resolution, low noise instrument such as CMBPOL the effective number of light neutrino species can be determined with an accuracy of sigma(N_nu) = 0.05 to 0.09, depending on the constraints on the helium abundance.Comment: 38 pages, 7 figures. Version accepted for publication in PR

Search for Invisible Decays of η\eta and η′\eta^\prime in J/ψ→ϕηJ/\psi \to \phi\eta and ϕη′\phi \eta^\prime

Using a data sample of $58\times 10^6$ $J/\psi$ decays collected with the BES II detector at the BEPC, searches for invisible decays of $\eta$ and $\eta^\prime$ in $J/\psi$ to $\phi\eta$ and $\phi\eta^\prime$ are performed. The $\phi$ signals, which are reconstructed in $K^+K^-$ final states, are used to tag the $\eta$ and $\eta^\prime$ decays. No signals are found for the invisible decays of either $\eta$ or $\eta^\prime$, and upper limits at the 90% confidence level are determined to be $1.65 \times 10^{-3}$ for the ratio $\frac{B(\eta\to \text{invisible})}{B(\eta\to\gamma\gamma)}$ and $6.69\times 10^{-2}$ for $\frac{B(\eta^\prime\to \text{invisible})}{B(\eta^\prime\to\gamma\gamma)}$. These are the first searches for $\eta$ and $\eta^\prime$ decays into invisible final states.Comment: 5 pages, 4 figures; Added references, Corrected typo

Observation of Two New N* Peaks in J/psi -> ppi−nˉp pi^- \bar n and pˉπ+n\bar p\pi^+n Decays

The $\pi N$ system in decays of $J/\psi\to\bar NN\pi$ is limited to be isospin 1/2 by isospin conservation. This provides a big advantage in studying $N^*\to \pi N$ compared with $\pi N$ and $\gamma N$ experiments which mix isospin 1/2 and 3/2 for the $\pi N$ system. Using 58 million $J/\psi$ decays collected with the Beijing Electron Positron Collider, more than 100 thousand $J/\psi \to p \pi^- \bar n + c.c.$ events are obtained. Besides two well known $N^*$ peaks at 1500 MeV and 1670 MeV, there are two new, clear $N^*$ peaks in the $p\pi$ invariant mass spectrum around 1360 MeV and 2030 MeV. They are the first direct observation of the $N^*(1440)$ peak and a long-sought "missing" $N^*$ peak above 2 GeV in the $\pi N$ invariant mass spectrum. A simple Breit-Wigner fit gives the mass and width for the $N^*(1440)$ peak as $1358\pm 6 \pm 16$ MeV and $179\pm 26\pm 50$ MeV, and for the new $N^*$ peak above 2 GeV as $2068\pm 3^{+15}_{-40}$ MeV and $165\pm 14\pm 40$ MeV, respectively

Superfluidity of flexible chains of polar molecules

We study properties of quantum chains in a gas of polar bosonic molecules confined in a stack of N identical one- and two- dimensional optical lattice layers, with molecular dipole moments aligned perpendicularly to the layers. Quantum Monte Carlo simulations of a single chain (formed by a single molecule on each layer) reveal its quantum roughening transition. The case of finite in-layer density of molecules is studied within the framework of the J-current model approximation, and it is found that N-independent molecular superfluid phase can undergo a quantum phase transition to a rough chain superfluid. A theorem is proven that no superfluidity of chains with length shorter than N is possible. The scheme for detecting chain formation is proposed.Comment: Submitted to Proceedings of the QFS2010 satellite conference "Cold Gases meet Many-Body Theory", Grenoble, August 7, 2010. This is the expanded version of V.