Empirical properties of forecasts with the functional autoregressive model

We study the finite sample performance of predictors in the functional (Hilbertian) autoregressive model X_n+1 = Y(X_n)+e_n{X_{n+1} = Psi(X_n)+varepsilon_n}. Our extensive empirical study based on simulated and real data reveals that predictors of the form [^(Y)](X_n){hatPsi(X_n)} are practically optimal in a sense that their prediction errors are comparable with those of the infeasible perfect predictor Ψ(X _n ). The predictions [^(Y)](X_n){hatPsi(X_n)} cannot be improved by an improved estimation of Ψ, nor by a more refined prediction approach which uses predictive factors rather than the functional principal components. We also discuss the practical limits of predictions that are feasible using the functional autoregressive model. These findings have not been established by theoretical work currently available, and may serve as a practical reference to the properties of predictors of functional data.     

Archimedean orderpotent rings

The following paper shows the algebraic structure of Archimedean lattice-ordered rings in which a product of any n elements is comparable with zero (or n-orderpotent rings). It is shown that such rings are necessarily subdirect products of nilpotent e-rings and totally-ordered ones. If a given ring is also an f-ring, then it is a direct cardinal product of an Archimedean zero-ring and a subring of the reals.     

Analysis of particle methods for structured population models with nonlocal boundary term in the framework of bounded Lipschitz distance

Recently developed theoretical framework for analysis of structured population dynamics in the spaces of nonnegative Radon measures with a suitable metric provides a rigorous tool to study numerical schemes based on particle methods. The approach is based on the idea of tracing growth and transport of measures which approximate the solution of original partial differential equation. In this article, we present analytical and numerical study of two versions of Escalator Boxcar Train algorithm which has been widely applied in theoretical biology, and compare it to the recently developed split‐up algorithm. The novelty of this article is in showing well‐posedness and convergence rates of the schemes using the concept of semiflows on metric spaces. Theoretical results are validated by numerical simulations of test cases, in which distances between simulated and exact solutions are computed using flat metric. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 30: 1797–1820, 2014     

Some possibilities of an analysis of complex samples by a mass spectrometry with a sample pretreatment by an offline coupled preparative capillary isotachophoresis

This work deals with an analysis of biologically important compounds in complex matrices using preparative isotachophoresis (pITP) in column coupling configuration as a sample pretreatment technique followed by a direct infusion mass spectrometry with nano‐electrospray ionization (DI‐nESI‐MS). Busereline was chosen as a model analyte, and urine was chosen as an example of complex matrix. In pITP experiments, sodium cation (10 mmol/L concentration) was used as a leading ion and β‐alanine as terminating ion (20 mmol/L concentration). The fractions, obtained by pITP pre‐separation with the assistance of the mixture of discrete spacers, were finally analyzed by DI‐nESI‐MS. It was shown that pITP performed before DI‐nESI‐MS analysis can significantly simplify complex matrix, and, due to its concentration power, pITP can consequently decrease the concentration limit of detection. The concentration of buserelin in the urine samples analyzed by pITP‐DI‐nESI‐MS was 10 μg/L (reflecting at a 8.10^?9 mol/L concentration) in our work but from the ion intensities obtained in MS as well as MS/MS analyses, it is clear that this concentration level could be several orders of magnitude lower for reliable detection and identification of buserelin in urine analyzed using pITP with DI‐nESI‐MS detection.     

Net charge and electrophoretic mobility of lysozyme charge ladders in solutions of nonionic surfactant

We report on the electrophoretic mobility and on the thermal diffusion of lysozyme proteins dissolved in aqueous solutions of a nonionic surfactant (C12E6) at a wide range of concentrations of the surfactant (0-20% by weight). We want to estimate the influence of a dense network of elongated micelles of C12E6 on the effective charge of the proteins as observed in the capillary electrophoresis experiments. The possible mechanism leading to the change in the effective charge of protein could involve the deformation of the cloud of counterions around the protein when it squeezes through the narrow (of the order of a protein diameter) aqueous channels formed in the solution of elongated micelles. The combination of independent measurements of the electrophoretic mobility of a family of modified proteins (lysozyme charge ladder [Colton et al. J. Am. Chem. Soc. 1997, 119, 12701]), of the microviscosity of the solutions of surfactant (obtained via fluorescence correlation spectroscopy), and of the hydrodynamic radius of the proteins (photon correlation spectroscopy) allow us to conclude that the effective charge of the proteins is not affected by the presence of surfactant, even at high concentrations.     

The exchange-correlation potential in ab initio density functional theory

From coupled-cluster theory and many-body perturbation theory we derive the local exchange-correlation potential of density functional theory in an orbital dependent form. We show the relationship between the coupled-cluster approach and density functional theory, and connections and comparisons with our previous second-order correlation potential [OEP-MBPT(2) (OEP-optimized effective potential)] [I. Grabowski, S. Hirata, S. Ivanov, and R. J. Bartlett, J. Chem. Phys. 116, 4415 (2002)]. Starting from a general theoretical framework based on the density condition in Kohn-Sham theory, we define a rigorous exchange-correlation functional, potential and orbitals. Specifying initially to second-order terms, we show that our ab initio correlation potential provides the correct shape compared to those from reference quantum Monte Carlo calculations, and we demonstrate the superiority of using Fock matrix elements or more general infinite-order semicanonical transformations. This enables us to introduce a method that is guaranteed to converge to the right answer in the correlation and basis set limit, just as does ab initio wave function theory. We also demonstrate that the energies obtained from this generalized second-order method [OEP-MBPT2-f] and [OEP-MBPT2-sc] are often of coupled-cluster accuracy and substantially better than ordinary Hartree-Fock based second-order MBPT=MP2.     

Aspect ratio effect on flow-induced forces on circular cylinders in a cross-flow

Finite-span circular cylinders with two different aspect ratios, placed in a cross-flow, are investigated experimentally at a cylinder Reynolds number of 46,000. Simultaneous measurements of the flow-induced unsteady forces on the cylinders and the stream velocity in the wake are carried out. These results together with mean drag measurements along the span and available literature data are used to evaluate the flow mechanisms responsible for the induced unsteady forces and the effect of aspect ratio on these forces. The coherence of vortex shedding along the span of the cylinder is partially destroyed by the separated flow emanating from the top and by the recirculating flow behind the cylinder. As a result, the fluctuating lift decreases drastically. Based on the data collected, it is conjectured that the fluctuating recirculating flow behind the cylinder is the flow mechanism responsible for the unsteady drag and causes it to increase beyond the fluctuating lift. The fluctuating recirculating flow is a direct consequence of the unsteady separated flow. The unsteady forces vary along the span, with lift increasing and drag decreasing towards the cylinder base. When the cylinder span is large compared to the wall boundary layer thickness, a submerged two-dimensional region exists near the base. As the span decreases, the submerged two-dimensional region becomes smaller and eventually vanishes. Altogether, these results show that fluctuating drag is the dominant unsteady force in finite-span cylinders placed in a cross-flow. Its characteristic frequency is larger than that of the vortex shedding frequency.List of symbols a span of active element on cylinder, = 2.5 cm - C _D local rms drag coefficient, 2D/ U ² da - C _L local rms lift coefficient, 2l/ U ² da - C _D local mean drag coefficient, 2D/ U ² da - C _D spanwise-averaged C _D for finite-span cylinder - (C _D ) _2D spanwise-averaged mean drag coefficient for two-dimensional cylinder - C _p pressured coefficient - -(C _p ) _b pressure coefficient at = - d diameter of cylinder, = 10.2 cm - D fluctuating component of instantaneous drag - D local rms of fluctuating drag - D local mean drag - E _D power spectrum of fluctuating drag, defined as - E _L power spectra of fluctuating lift, defined as - f _D dominant frequency of drag spectrum - f _L dominant frequency of lift spectrum - f _u dominant frequency of velocity spectrum - h span of cylinder - H height of test section, = 30.5 cm - L fluctuating component of instantaneous lift - L local rms of fluctuating lift - R _Du () cross-correlation function of streamwise velocity and local drag, - R _Lu () cross-correlation function of stream wise velocity and local lift, - Re Reynolds number, U d/y - S _L Strouhal number based on f _L ,f _L d/U - S _D Strouhal number based on f _D ,f _D d/U - S _u Strouhal number based on f _u , f _u d/U - t time - u fluctuating component of instantaneous streamwise velocity - U mean streamwise velocity - mean stream velocity upstream of cylinder - x streamwise distance measured from axis of cylinder - y transverse distance measured from axis of test section - z spanwise distance measured from cylinder base - angular position on cylinder circumference measured from forward stagnation - kinematic viscosity of air - density of air - time lag in cross-correlation function - _D normalized spectrum of fluctuating drag - _L normalized spectrum of fluctuating lift     

Onset of a pseudogap regime in ultracold Fermi gases

We show, using an ab initio approach based on Quantum Monte Carlo technique, that the pseudogap regime emerges in ultracold Fermi gases close to the unitary point. We locate the onset of this regime at a value of the interaction strength corresponding to (k(F)a)(-1)≈-0.05 (a-scattering length). We determine the evolution of the gap as a function of temperature and interaction strength in the Fermi gas around the unitary limit and show that our results exhibit a remarkable agreement with the recent wave-vector resolved radio frequency spectroscopy data. Our results indicate that a finite temperature structure of the Fermi gas around unitarity is more complicated and involves the presence of the phase with preformed Cooper pairs, which, however, do not contribute to the long range order.