Extremal Forex Returns in Extremely Large Data Sets

Exciting information for risk and investment analysis is obtained from an exceptionally large and automatically filtered high frequency data set containing all the forex quote prices on Reuters during a ten-year period. It is shown how the high frequency data improve the efficiency of the tail risk cum loss estimates. We demonstrate theoretically and empirically that the heavy tail feature of foreign exchange rate returns implies that position limits for traders calculated under the industry standard normal model are either not prudent enough, or are overly conservative depending on the time horizon.     

Dual-based error analysis for uncertainty quantification in a chemical system

An a posteriori error estimation for the numerical solution of a stochastic variational problem arising in the context of parametric uncertainty is presented. The discretization of the stochastic variational problem uses piecewise continuous orthogonal polynomials in the stochastic domain. The a posteriori methodology is derived by measuring the error as the functional difference between the continuous and discrete solutions. An example is shown on a chemical system which reaction rates are uncertain. The present approach efficiency in providing a good accuracy in the uncertainty quantification at a reasonable computational cost is demonstrated. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Aspect-ratio dependence of transient Taylor vortices close to threshold

We perform a detailed numerical study of transient Taylor vortices arising from the instability of cylindrical Couette flow with the exterior cylinder at rest for radius ratio η = 0.5 and variable aspect ratio Γ. The result of Abshagen et al. (J Fluid Mech 476:335–343, 2003) that onset transients apparently evolve on a much smaller time–scale than decay transients is recovered. It is shown to be an artefact of time scale estimations based on the Stuart–Landau amplitude equation which assumes frozen space dependence while full space–time dependence embedded in the Ginzburg–Landau formalism needs to be taken into account to understand transients already at moderate aspect ratio. Sub-critical pattern induction is shown to explain the apparently anomalous behaviour of the system at onset while decay follows the Stuart–Landau prediction more closely. The dependence of time scales on boundary effects is studied for a wide range of aspect ratios, including non-integer ones, showing general agreement with the Ginzburg–Landau picture able to account for solutions modulated by Ekman pumping at the disks bounding the cylinders.      

Parallel constrained molecular dynamics

A block version of the Shake method for heavy atom simulation in biological systems is presented in this paper. The method solves successively, independent blocks of constraints of small size by a Newton method. This algorithm is implemented in TAKAKAW, an efficient parallel molecular dynamics code. This method has been tested on a small system and on an ionic canal of 67671 atoms. This revised version was published online in June 2006 with corrections to the Cover Date.     

2,2′‐Bi(9,9‐di­hexyl­fluorene)

The central part of the title mol­ecule, C₅₀H₆₆, is planar, all the rings being in the same plane; the lateral chains are also planar (excluding H atoms), almost perpendicular to the ring plane and grafted on the same side of the mol­ecule. The mol­ecule has nearly a mirror plane, perpendicular to the central C—C bond, instead of the centre of symmetry expected. The orientation of the plane of the rings is approximately 45° from the unit‐cell b axis, so that neighbouring mol­ecules are essentially perpendicular.     

Disclosing the redox metabolism of drugs: The essential role of electrochemistry

Electrochemical methods provide a wide range of strategies to explore the metabolism of drugs. These approaches traditionally encompass preparative aspects viz. the electrochemical generation of potent metabolites or the electrochemical exploration of the reactivity of redox enzymes (or their mimics) toward drugs. More recently, the electroanalytical characterization of the successive redox and redox-coupled reactions was found effective to unravel more complex mechanisms, especially those related to the reactivity of bioorganometallic drugs. This minireview highlights the contribution of these different electrochemical strategies to the determination of drug metabolism through representative recent examples.     

Theoretical and experimental characterization of amino‐PEG‐phosphonate‐terminated Polyphosphorhydrazone dendrimers: Influence of size and PEG capping on cytotoxicity profiles

The synthesis of new series of PPH (poly(phosphorhydrazone)) dendrimers with amino‐PEG phosphonates or the corresponding amino‐PEG phosphonic acids as terminal groups is presented, from generations 1–3. The size of PEG‐terminated dendrimers is experimentally measured by diffusional NMR, and by means of dynamic light scattering. Classical molecular dynamics and well‐tempered metadynamics simulations are used to assess or confirm the formation of aggregates in some cases. The influence of PEG capping on the cytotoxicity profiles of the dendrimers is evaluated on human peripheral blood mononuclear cells by means of LIVE/DEAD assays, and confirms the importance of PEG capping to ensure low cytotoxicity. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 761–774     

The cluster index of regularly varying sequences with applications to limit theory for functions of multivariate Markov chains

We introduce the cluster index of a multivariate stationary sequence and characterize the index in terms of the spectral tail process. This index plays a major role in limit theory for partial sums of sequences. We illustrate the use of the cluster index by characterizing infinite variance stable limit distributions and precise large deviation results for sums of multivariate functions acting on a stationary Markov chain under a drift condition.     

Design of a lattice-matched III–V–N/Si photovoltaic tandem cell monolithically integrated on silicon substrate

In this paper, we present a comprehensive study of high efficiencies tandem solar cells monolithically grown on a silicon substrate using GaAsPN absorber layer. InGaAs(N) quantum dots and GaAsPN quantum wells have been grown recently on GaP/Si susbstrate for applications related to light emission. For photovoltaic applications, we consider the GaAsPN diluted nitride alloy as the top junction material due to both its perfect lattice matching with Si and ideal bandgap energy for current generation in association with the Si bottom cell. Numerical simulation of the top cell is performed. The effect of layer thicknesses and doping on the cell efficiency are evidenced. In these structures a tunnel junction (TJ) is needed to interconnect both the top and bottom sub-cells. We compare the simulated performances of different TJ structures and show that the GaP(n+)/Si(p+) TJ is promising to improve performances of the current–voltage characteristic.