Heavy Quark Fluorescence

Heavy hadrons containing heavy quarks (for example, Upsilon-mesons) feature a scale separation between the heavy quark mass (about 4.5 GeV for the b-quark) and the QCD scale (about 0.3 GeV}) that controls effective masses of lighter constituents. Therefore, as in ordinary molecules, the de-excitation of the lighter, faster degrees of freedom leaves the velocity distribution of the heavy quarks unchanged, populating the available decay channels in qualitatively predictable ways. Automatically an application of the Franck-Condon principle of molecular physics explains several puzzling results of Upsilon(5S) decays as measured by the Belle collaboration, such as the high rate of Bs*-anti Bs* versus Bs*-anti Bs production, the strength of three-body B-anti B + pion decays, or the dip in B momentum shown in these decays. We argue that the data is showing the first Sturm-Liouville zero of the Upsilon(5S) quantum mechanical squared wavefunction, and providing evidence for a largely b-anti b composition of this meson.Comment: 4 pages, 4 figures, Figure 2 updated and some typos corrected. To be published in Physical Review Letter

Improved Semileptonic Form Factor Calculations in Lattice QCD

We investigate the computational efficiency of two stochastic based alternatives to the Sequential Propagator Method used in Lattice QCD calculations of heavy-light semileptonic form factors. In the first method, we replace the sequential propagator, which couples the calculation of two of the three propagators required for the calculation, with a stochastic propagator so that the calculations of all three propagators are independent. This method is more flexible than the Sequential Propagator Method but introduces stochastic noise. We study the noise to determine when this method becomes competitive with the Sequential Propagator Method, and find that for any practical calculation it is competitive with or superior to the Sequential Propagator Method. We also examine a second stochastic method, the so-called ``one-end trick", concluding it is relatively inefficient in this context. The investigation is carried out on two gauge field ensembles, using the non-perturbatively improved Wilson-Sheikholeslami-Wohlert action with N_f=2 mass-degenerate sea quarks. The two ensembles have similar lattice spacings but different sea quark masses. We use the first stochastic method to extract ${\mathcal O}(a)$-improved, matched lattice results for the semileptonic form factors on the ensemble with lighter sea quarks, extracting f_+(0)

Charm quark system at the physical point of 2+1 flavor lattice QCD

We investigate the charm quark system using the relativistic heavy quark action on 2+1 flavor PACS-CS configurations previously generated on $32^3 \times 64$ lattice. The dynamical up-down and strange quark masses are set to the physical values by using the technique of reweighting to shift the quark hopping parameters from the values employed in the configuration generation. At the physical point, the lattice spacing equals $a^{-1}=2.194(10)$ GeV and the spatial extent $L=2.88(1)$ fm. The charm quark mass is determined by the spin-averaged mass of the 1S charmonium state, from which we obtain m_{\rm charm}^{\msbar}(\mu = m_{\rm charm}^{\msbar}) = 1.260(1)(6)(35) GeV, where the errors are due to our statistics, scale determination and renormalization factor. An additional systematic error from the heavy quark is of order $\alpha_s^2 f(m_Q a)(a \Lambda_{QCD})$, which is estimated to be a percent level if the factor $f(m_Q a)$ analytic in $m_Q a$ is of order unity. Our results for the charmed and charmed-strange meson decay constants are $f_D=226(6)(1)(5)$ MeV, $f_{D_s}=257(2)(1)(5)$ MeV, again up to the heavy quark errors of order $\alpha_s^2 f(m_Q a)(a \Lambda_{QCD})$. Combined with the CLEO values for the leptonic decay widths, these values yield $|V_{cd}| = 0.205(6)(1)(5)(9)$, $|V_{cs}| = 1.00(1)(1)(3)(3)$, where the last error is on account of the experimental uncertainty of the decay widths.Comment: 16 pages, 12 figure

Core reconstruction in pseudopotential calculations

A new method is presented for obtaining all-electron results from a pseudopotential calculation. This is achieved by carrying out a localised calculation in the region of an atomic nucleus using the embedding potential method of Inglesfield [J.Phys. C {\bf 14}, 3795 (1981)]. In this method the core region is \emph{reconstructed}, and none of the simplifying approximations (such as spherical symmetry of the charge density/potential or frozen core electrons) that previous solutions to this problem have required are made. The embedding method requires an accurate real space Green function, and an analysis of the errors introduced in constructing this from a set of numerical eigenstates is given. Results are presented for an all-electron reconstruction of bulk aluminium, for both the charge density and the density of states.Comment: 14 pages, 5 figure

Interatomic potentials for atomistic simulations of the Ti-Al system

Semi-empirical interatomic potentials have been developed for Al, alpha-Ti, and gamma-TiAl within the embedded atomic method (EAM) by fitting to a large database of experimental as well as ab-initio data. The ab-initio calculations were performed by the linear augmented plane wave (LAPW) method within the density functional theory to obtain the equations of state for a number of crystal structures of the Ti-Al system. Some of the calculated LAPW energies were used for fitting the potentials while others for examining their quality. The potentials correctly predict the equilibrium crystal structures of the phases and accurately reproduce their basic lattice properties. The potentials are applied to calculate the energies of point defects, surfaces, planar faults in the equilibrium structures. Unlike earlier EAM potentials for the Ti-Al system, the proposed potentials provide reasonable description of the lattice thermal expansion, demonstrating their usefulness in the molecular dynamics or Monte Carlo studies at high temperatures. The energy along the tetragonal deformation path (Bain transformation) in gamma-TiAl calculated with the EAM potential is in a fairly good agreement with LAPW calculations. Equilibrium point defect concentrations in gamma-TiAl are studied using the EAM potential. It is found that antisite defects strongly dominate over vacancies at all compositions around stoichiometry, indicating that gamm-TiAl is an antisite disorder compound in agreement with experimental data.Comment: 46 pages, 6 figures (Physical Review B, in press

Stabilisation of metastable polymorphs: the case of paracetamol form III

YesThe design of a melt synthesis of the first air-stable formulation of the metastable form III of paracetamol is derived from thermo-spectroscopic and thermo-diffraction experiments. Melt crystallisation in the presence of β-1,4-saccharides produces form III selectively and the excipients appear to act as stabilising ‘active’ templates of the metastable polymorph.This article is part of themed collection: Pharmaceutical Solids

A qualitative study on the effects of psychoactive substance use upon artistic creativity

Background: Psychoactive substance use has often been claimed to help generate and facilitate the artistic creative process. Aims: The present study explored the role of artists’ substance use in their creative processes and their efforts to balance between enhancement and relaxation. Methods: Semi-structured interviews concerning the artistic creative process and the role of psychoactive substance use were recorded with 72 artists and analyzed using content analysis. The participants were classified according to their substance use in three groups (Cannabis Group, Alcohol Group, and Control Group). Results: Results show that both alcohol and cannabis were used to facilitate creativity and the emotional states that are necessary for the artistic creative process. Participants in the Control group reported that listening to music might function as a mind-altering tool. It was also found that for some artists, substance use is not only characteristic to creation, but it is also part of their everyday lives. Conclusion: Artists are aware of the balancing phenomenon during the artistic creative process. Whether psychoactive substance(s) or other environmental stimuli (such as music) are used to reach the required effect appears to depend upon the individual

Micro-manufacturing : research, technology outcomes and development issues

Besides continuing effort in developing MEMS-based manufacturing techniques, latest effort in Micro-manufacturing is also in Non-MEMS-based manufacturing. Research and technological development (RTD) in this field is encouraged by the increased demand on micro-components as well as promised development in the scaling down of the traditional macro-manufacturing processes for micro-length-scale manufacturing. This paper highlights some EU funded research activities in micro/nano-manufacturing, and gives examples of the latest development in micro-manufacturing methods/techniques, process chains, hybrid-processes, manufacturing equipment and supporting technologies/device, etc., which is followed by a summary of the achievements of the EU MASMICRO project. Finally, concluding remarks are given, which raise several issues concerning further development in micro-manufacturing

Targeting Class A and C Serine \u3b2-Lactamases with a Broad-Spectrum Boronic Acid Derivative

Production of \u3b2-lactamases (BLs) is the most widespread resistance mechanism adopted by bacteria to fight \u3b2-lactam antibiotics. The substrate spectrum of BLs has become increasingly broad, posing a serious health problem. Thus, there is an urgent need for novel BL inhibitors. Boronic acid transition-state analogues are able to reverse the resistance conferred by class A and C BLs. We describe a boronic acid analogue possessing interesting and potent broad-spectrum activity vs class A and C serine-based BLs. Starting from benzo(b)thiophene-2-boronic acid (BZBTH2B), a nanomolar non-\u3b2-lactam inhibitor of AmpC that can potentiate the activity of a third-generation cephalosporin against AmpC-producing resistant bacteria, we designed a novel broad-spectrum nanomolar inhibitor of class A and C BLs. Structure-based drug design (SBDD), synthesis, enzymology data, and X-ray crystallography results are discussed. We clarified the inhibitor binding geometry responsible for broad-spectrum activity vs serine-active BLs using double mutant thermodynamic cycle studies