Evaluation of the gust-alleviation characteristics and handling qualities of a free-wing aircraft

Dynamic characteristics of aircraft with wings free to pivot spanwise axi

Influence of Dielectric Environment upon Isotope Effects onGlycoside Heterolysis: Computational Evaluation and AtomicHessian Analysis

Isotope effects depend upon the polarity of the bulk medium in which a chemical process occurs. Implicit solvent calculations with molecule-shaped cavities show that the equilibrium isotope effect (EIE) for heterolysis of the glycosidic bonds in 5′-methylthioadenosine and in 2-(p-nitrophenoxy)tetrahydropyran, both in water, are very sensitive in the range 2 ≤ ε ≤ 10 to the relative permittivity of the continuum surrounding the oxacarbenium ion. However, different implementations of nominally the same PCM method can lead to opposite trends being predicted for the same molecule. Computational modeling of the influence of the inhomogeneous effective dielectric surrounding a substrate within the protein environment of an enzymic reaction requires an explicit treatment. The EIE (KH/KD) for transfer of cyclopentyl, cyclohexyl, tetrahydrofuranyl and tetrahydropyranyl cations from water to cyclohexane is predicted by B3LYP/6-31+G(d) calculations with implicit solvation and confirmed by B3LYP/6-31+G(d)/OPLS-AA calculations with averaging over many explicit solvation configurations. Atomic Hessian analysis, whereby the full Hessian is reduced to the elements belonging to a single atom at the site of isotopic substitution, reveals a remarkable result for both implicit and explicit solvation: the influence of the solvent environment on these EIEs is essentially captured completely by only a 3 × 3 block of the Hessian, although these values must correctly reflect the influence of the whole environment. QM/MM simulation with ensemble averaging has an important role to play in assisting the meaningful interpretation of observed isotope effects for chemical reactions both in solution and catalyzed by enzymes

On the Hα\alpha emission from the β\beta Cephei system

Be stars, which are characterised by intermittent emission in their hydrogen lines, are known to be fast rotators. This fast rotation is a requirement for the formation of a Keplerian disk, which in turn gives rise to the emission. However, the pulsating, magnetic B1IV star $\beta$ Cephei is a very slow rotator that still shows H$\alpha$ emission episodes like in other Be stars, contradicting current theories. We investigate the hypothesis that the H$\alpha$ emission stems from the spectroscopically unresolved companion of $\beta$ Cep. Spectra of the two unresolved components have been separated in the 6350-6850\AA range with spectro-astrometric techniques, using 11 longslit spectra obtained with ALFOSC at the Nordic Optical Telescope, La Palma. We find that the H$\alpha$ emission is not related to the primary in $\beta$ Cep, but is due to its 3.4 magnitudes fainter companion. This companion has been resolved by speckle techniques, but it remains unresolved by traditional spectroscopy. The emission extends from about $-$400 to +400 km s$^{-1}$. The companion star in its 90-year orbit is likely to be a classical Be star with a spectral type around B6-8. By identifying its Be-star companion as the origin of the H$\alpha$ emission behaviour, the enigma behind the Be status of the slow rotator $\beta$ Cep has been resolved.Comment: 4 pages, 3 figures. Accepted by A&A Letter

Broken symmetries and pattern formation in two-frequency forced Faraday waves

We exploit the presence of approximate (broken) symmetries to obtain general scaling laws governing the process of pattern formation in weakly damped Faraday waves. Specifically, we consider a two-frequency forcing function and trace the effects of time translation, time reversal and Hamiltonian structure for three illustrative examples: hexagons, two-mode superlattices, and two-mode rhomboids. By means of explicit parameter symmetries, we show how the size of various three-wave resonant interactions depends on the frequency ratio m:n and on the relative temporal phase of the two driving terms. These symmetry-based predictions are verified for numerically calculated coefficients, and help explain the results of recent experiments.Comment: 4 pages, 6 figure

A review of mathematical functions for the analysis of growth in poultry

Poultry industries face various decisions in the production cycle that affect the profitability of an operation. Predictions of growth when the birds are ready for sale are important factors that contribute to the economy of poultry operations. Mathematical functions called ‘growth functions’ have been used to relate body weight (W) to age or cumulative feed intake. These can also be used as response functions to predict daily energy and protein dietary requirements for maintenance and growth (France et al., 1989). When describing growth versus age in poultry, a fixed point of inflexion can be a limitation with equations such as the Gompertz and logistic. Inflexion points vary depending on age, sex, breed and type of animal, so equations such as the Richards and López are generally recommended. For describing retention rate against daily intake, which generally does not exhibit an inflexion point, the monomolecular would appear the function of choice