PRINCIPLES FOR STRUCTURE GENERATION OF ORGANIC ISOMERS FROM MOLECULAR FORMULA

An expert system for the elucidation of the structure of organic compounds (ESESOC) has been developed. The heart of the ESESOC is formed by the structure generator as an integral part, which receives the specific type of information (molecular formula, s

Asymptotic periodicity of the Volterra equation with infinite delay

For some species, hereditary factors have great effects on their population evolution, which can be described by the well-known Volterra model. A model developed is investigated in this article, considering the seasonal variation of the environment, where the diffusive effect of the population is also considered. The main approaches employed here are the upper-lower solution method and the monotone iteration technique. The results show that whether the species dies out or not depends on the relations among the birth rate, the death rate, the competition rate, the diffusivity and the hereditary effects. The evolution of the population may show asymptotic periodicity, provided a certain condition is satisfied for the above factors. (c) 2006 Elsevier Ltd. All rights reserved.

Asymptotic weighted-periodicity of the impulsive parabolic equation with time delay

The main aim of this paper is to investigate the effects of the impulse and time delay on a type of parabolic equations. In view of the characteristics of the equation, a particular iteration scheme is adopted. The results show that Under certain conditions on the coefficients of the equation and the impulse, the solution oscillates in a particular manner-called "asymptotic weighted-periodicity".

高阶广义屏波动方程叠前深度偏移

Attaining sufficient accuracy and efficiency of generalized screen propagator and improving the quality of input gathers are often problems　of wave equation presack depth migration,　in this paper,a high order formula of generalized screen propagator　for one-way wave equation is proposed by using the asymptotic expansion of single-square-root operator. Based on the formula，a new generalized screen propagator is developed ,which is composed of split-step Fourier propagator and high order correction terms，the new generalized screen propagator not only improving calculation precision without sharply increasing the quantity of computation，facilitates the suitability of generalized screen propagator to the media with strong lateral velocity variation.　As wave-equation prestack depth migration is sensitive to the quality of input gathers, which greatly affect the output，and the available seismic data processing system has inability to obtain traveltimes corresponding to the multiple arrivals, to estimate of great residual statics， to merge seismic datum from different projects and to design inverse Q filter, we establish　difference equations with an embodiment of Huygens’s principle for obtaining traveltimes corresponding to the multiple arrivals,bring forward a time variable matching filter for seismic datum merging by using the fast algorithm called Mallat tree for wavelet transformations， put forward a method for estimation of residual statics by applying the optimum model parameters estimated by iterative inversion with three organized algorithm,i.e,the CMP intertrace cross-correlation algorithm,the Laplacian image edge extraction algorithm,and the DFP algorithm, and present phase-shift inverse Q filter based on Futterman’s amplitude and phase-velocity dispersion formula and wave field extrapolation theory. All of their numerical and real data calculating results shows that our theory and method are practical and efficient. Key words: prestack depth migration, generalized screen propagator, residual statics，inverse Q filter ,traveltime，3D seismic datum mergence

Asymptotic behaviour of the elastic solution near the tip of a crack situated at a nonideal interface

Mishuris, G; Kuhn, G., (2001) 'Asymptotic behaviour of the elastic solution near the tip of a crack situated at a nonideal interface', Zeitschrift f?r Angewandte Mathematik und Mechanik 81(12) pp.811-826 RAE2008

Infant milk formula manufacture: process and compositional interactions in high dry matter wet-mixes

Infant milk formula (IMF) is fortified milk with composition based on the nutrient content in human mother's milk, 0 to 6 months postpartum. Extensive medical and clinical research has led to advances in the nutritional quality of infant formula; however, relatively few studies have focused on interactions between nutrients and the manufacturing process. The objective of this research was to investigate the impact of composition and processing parameters on physical behaviour of high dry matter (DM) IMF systems with a view to designing more sustainable manufacturing processes. The study showed that commercial IMF, with similar compositions, manufactured by different processes, had markedly different physical properties in dehydrated or reconstituted state. Commercial products made with hydrolysed protein were more heat stable compared to products made with intact protein, however, emulsion quality was compromised. Heat-induced denaturation of whey proteins resulted in increased viscosity of wet-mixes, an effect that was dependant on both whey concentration and interactions with lactose and caseins. Expanding on fundamental laboratory studies, a novel high velocity steam injection process was developed whereby high DM (60%) wet-mixes with lower denaturation/viscosity compared to conventional processes could be achieved; powders produced using this process were of similar quality to those manufactured conventionally. Hydrolysed proteins were also shown to be an effective way of reducing viscosity in heat-treated high DM wet-mixes. In particular, using a whey protein concentrate whereby β-Lactoglobulin was selectively hydrolysed, i.e., α-Lactalbumin remained intact, reduced viscosity of wet-mixes during processing while still providing good emulsification. The thesis provides new insights into interactions between nutrients and/or processing which influence physical stability of IMF both in concentrated liquid and powdered form. The outcomes of the work have applications in such areas as; increasing the DM content of spray drier feeds in order to save energy, and, controlling final powder quality.

Prediction in dynamic models with time-dependent conditional variances

This paper considers forecasting the conditional mean and variance from a single-equation dynamic model with autocorrelated disturbances following an ARMA process, and innovations with time-dependent conditional heteroskedasticity as represented by a linear GARCH process. Expressions for the minimum MSE predictor and the conditional MSE are presented. We also derive the formula for all the theoretical moments of the prediction error distribution from a general dynamic model with GARCH(1, 1) innovations. These results are then used in the construction of ex ante prediction confidence intervals by means of the Cornish-Fisher asymptotic expansion. An empirical example relating to the uncertainty of the expected depreciation of foreign exchange rates illustrates the usefulness of the results. © 1992.

Analysis of an asymptotic preserving scheme for linear kinetic equations in the diffusion limit

We present a mathematical analysis of the asymptotic preserving scheme proposed in [M. Lemou and L. Mieussens, SIAM J. Sci. Comput., 31 (2008), pp. 334-368] for linear transport equations in kinetic and diffusive regimes. We prove that the scheme is uniformly stable and accurate with respect to the mean free path of the particles. This property is satisfied under an explicitly given CFL condition. This condition tends to a parabolic CFL condition for small mean free paths and is close to a convection CFL condition for large mean free paths. Our analysis is based on very simple energy estimates. © 2010 Society for Industrial and Applied Mathematics.

Drug calculations part 2: alternative strategies to the formula

Drug calculations are an essential skill for nurses. The clinical skill of performing a drug calculation has come under recent scrutiny,resulting in the development of essential skills clusters inwhich pre-registration nurses must be competent before qualifying (Nursing and Midwifery Council 2007). The focuson drug calculation skills places renewed emphasis on how these skills are taught in higher education institutions and how they are learned by students theoretically and in clinical practice.

Drug calculations part 1: a critique of the formula used by nurses

The role of mathematics is integral to nursing practice, and careful and accurate calculations are important to help prevent medication errors. This two-part article examines different methods for solving drug calculation problems. The first part critiques the commonly taught nursing drug calculation formula. Part 2, to be published next week, explores a range of other methods that are used in practice to calculate drug dosages.

High-resolution Keck I spectroscopy of Galactic halo post-asymptotic giant branch stars

Absolute and differential abundance analyses have been performed from high-resolution, high signal-to-noise ratio optical (Keck I) spectra for three evolved Galactic halo stars, namely PG 1704 + 222, HD 341617 and LSIV -0401. Their derived atmospheric parameters indicate that all three objects are undergoing a post-asymptotic giant branch (post-AGB) phase of evolution. A differential abundance analysis reveals HD 341617 as having a mild carbon deficiency of 0.74 dex, possibly due to the star having evolved off the AGB before the onset of the third dredge-up. Although such carbon underabundances are typical of hot post-AGB objects, the same trend is not observed in PG 1704 + 222, where the carbon abundance is found to be consistent with those derived for nitrogen and oxygen. Hence, a dredge-up scenario need not be invoked to explain the chemical composition of PG 1704 + 222. For LSIV -0401 no iron deficiency is apparent relative to magnesium and silicon, and hence a gas- dust separation event in the AGB progenitor need not be invoked for this star.

High-resolution spectroscopic observations of post-asymptotic giant branch candidates from the Edinburgh-Cape Survey

High spectral resolution ( R similar to 40 000) and signal-to-noise optical spectra, obtained at the Very Large Telescope ( VLT), are presented for three post-asymptotic giant branch ( AGB) candidates selected from the Edinburgh-Cape ( EC) Faint Blue Object Survey. The stellar atmospheric parameters and chemical compositions, derived using sophisticated non-local thermodynamic equilibrium calculations, reveal that EC 14102-1337 and EC 20068-7324 are both in an evolved post-horizontal branch ( HB) evolutionary state. However, EC 11507-2253 is most likely a post-AGB star.

High-resolution spectroscopy of globular cluster post-Asymptotic Giant Branch stars

We present model atmosphere analyses of high resolution Keck and VLT optical spectra for three evolved stars in globular clusters, viz. ZNG-1 in M 10, ZNG-1 in M 15 and ZNG-1 in NGC 6712. The derived atmospheric parameters and chemical compositions confirm the programme stars to be in the post- Asymptotic Giant Branch (post-AGB) evolutionary phase. Differential abundance analyses reveal CNO abundance patterns in M 10 ZNG-1, and possibly M 15 ZNG-1, which Suggest that both objects may have evolved off the AGB before the third dredge-up occurred. The abundance pattern of these stars is similar to the third class of optically, bright post-AGB objects discussed by van Winckel (1997). Furthermore, M 10 ZNG-1 exhibits a large C underabundance (with Delta[C/O] similar to -1.6 dex), typical of other hot post-AGB objects. Differential Delta[alpha/Fe] abundance ratios in both M 10 ZNG-1 and NGC 6712 ZNG-1 are found to be approximately 0.0 dex, with the Fe abundance of the former being in disagreement with the cluster metallicity of M 10. Given that the Fe absorption features in both M 10 ZNG-1 and NGC6712 ZNG-1 are well observed and reliably modelled, we believe that these differential Fe abundance estimates to be secure. However, our Fe abundance is difficult to explain in terms of previous evolutionary processes that Occur oil both the Horizontal Branch and the AGB.