Simulation model for shapiro time delay and light deflection experiments

The time delay experiment proposed by I.I. Shapiro in 1964 and conducted in the seventies was the most precise experiment of general relativity until that time. Further experimentation has improved the accuracy level of both the time delay and the light deflection experiments. A simulation model is proposed that involves only a simple mass and time transformation factor involving velocity of light. The light deflection and the time delay experiments are numerically simulated using this model that does not use the general relativistic equations. The computed values presented in this paper compare well with recent levels of accuracy of their respective experimental results.     

High-throughput protein crystallography and drug discovery

Single crystal X-ray diffraction is the technique of choice for studying the interactions of small organic molecules with proteins by determining their three-dimensional structures; however the requirement for highly purified protein and lack of process automation have traditionally limited its use in this field. Despite these shortcomings, the use of crystal structures of therapeutically relevant drug targets in pharmaceutical research has increased significantly over the last decade. The application of structure-based drug design has resulted in several marketed drugs and is now an established discipline in most pharmaceutical companies. Furthermore, the recently published full genome sequences of Homo sapiens and a number of micro-organisms have provided a plethora of new potential drug targets that could be utilised in structure-based drug design programs. In order to take maximum advantage of this explosion of information, techniques have been developed to automate and speed up the various procedures required to obtain protein crystals of suitable quality, to collect and process the raw X-ray diffraction data into usable structural information, and to use three-dimensional protein structure as a basis for drug discovery and lead optimisation.This tutorial review covers the various technologies involved in the process pipeline for high-throughput protein crystallography as it is currently being applied to drug discovery. It is aimed at synthetic and computational chemists, as well as structural biologists, in both academia and industry, who are interested in structure-based drug design.     

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Threshold concepts in finance: conceptualizing the curriculum

Graduates with well-developed capabilities in finance are invaluable to our society and in increasing demand. Universities face the challenge of designing finance programmes to develop these capabilities and the essential knowledge that underpins them. Our research responds to this challenge by identifying threshold concepts that are central to the mastery of finance and by exploring their potential for informing curriculum design and pedagogical practices to improve student outcomes. In this paper, we report the results of an online survey of finance academics at multiple institutions in Australia, Canada, New Zealand, South Africa and the United Kingdom. The outcomes of our research are recommendations for threshold concepts in finance endorsed by quantitative evidence, as well as a model of the finance curriculum incorporating finance, modelling and statistics threshold concepts. In addition, we draw conclusions about the application of threshold concept theory supported by both quantitative and qualitative evidence. Our methodology and findings have general relevance to the application of threshold concept theory as a means to investigate and inform curriculum design and delivery in higher education.     

The role of universities in preparing graduates to use software in the financial services workplace

The role of universities in preparing students to use spreadsheet and other technical software in the financial services workplace has been investigated through surveys of university graduates, university academics, and employers. It is found that graduates are less skilled users of software than employers would like, due at least in part to a lack of structured formal training opportunities in the workplace, and a lack of targeted, coherent learning opportunities at university. The widespread and heavy use of software in the workplace means that there is significant potential for productivity gains if universities and employers address these issues.     

Schur complement preconditioners for anisotropic problems

We present two new variants of Schur complement domain decompositionpreconditioners suitable for 2D anisotropic problems. Thesevariants are based on adaptations of the probing idea, describedby Chan et al (1992 Fifth Int. Symp. on Domain DecompositionMethods for Partial Differential Equations, Philadelphia: SIAM,pp 236-249), used in conjunction with a coarse grid approximationas introduced by Bramble et al (1986 Math. Comput. 47, 103-134).The new methods are specifically designed for situations wherethe coupling between neighbouring interfaces is stronger thanthe coupling within an interface. Taking into account this strongcoupling, one variant uses a multicolour probing technique toavoid distortion in the probe approximations that appear whenusing the method proposed by Chan et al. The second techniqueuses additional probe matrices to approximate not only the couplingwithin the interfaces but also the coupling between interfacepoints across the subdomains. This latter procedure looks somewhatlike an alternating line relaxation method for anisotropic problems,see Brandt (1977 Math. Comput.. 31, 333-390). To assess therelevance of the new preconditioners, we compare their numericalbehaviour with well known robust preconditioners such as thebalanced Neumann-Neumann method proposed by Mandel (1993 Commun.Numer. Methods Eng.. 9, 233-241).     

评《马氏决策过程》

（《马氏决策过程》,侯振挺、郭先平著,长沙,湖南科技出版社,1997,中文版,386页,定价：28元）马尔可夫决策过程是概率论的运筹学的理论研究和实际应用中极其重要的领域之一．随着中国和国际上对马尔可夫决策过程（MarkovDecisionProcesses,简记为MDP）研究的新进展,许     

Crystal and molecular structure of stercuronium iodide ethanol solvate: A peripheral muscle relaxant

The crystal structure of the muscle relaxant stercuronium iodide in the form of its ethanol solvate C₂₆H₄₃N₂ ⁺I^– · C₂H₅OH, has been determined by the heavy-atom method and refined by block-diagonal least-squares toR _o = 0.062 for 1941 observed reflections andR = 0.079 for a total of 2420 reflections measured on a four-circle diffractometer in the /2 scanning mode. The crystals are monoclinic,P2₁,a = 15.386(5),b = 11.377(4),c = 8.307(3) Å, = 98.22(2) °,Z = 2. RingsA andB in the modified conessine skeleton are both highly symmetrical half-chairs, ringC is in the chair conformation, and ringsD andE are highly symmetrical envelopes. The pyrrolidine ringE fused to ringD is roughly perpendicular to the steroid skeleton formed by ringsA toD. The N⁺---N distance of 10.76 Å is within the usual range required for potent neuromuscular blocking. Semiquantitative results are presented which suggest that the site of the tertiary N atom in ringE is not heavily congested by neighboring atoms in the molecule and may therefore be susceptible to protonation under physiological conditions. This could account for the relatively high drug potency of stercuronium.     

Simulation model for anomalous precession of the perihelion of mercury's orbit

The ‘anomalous perihelion precession’ of Mercury, announced by Le Verrier in 1859, was a highly controversial topic for more than half a century and invoked many alternative theories until 1916, when Einstein presented his theory of general relativity as an alternative theory of gravitation and showed perihelion precession to be one of its potential manifestations. As perihelion precession was a directly derived result of the full General Theory and not just the Equivalence Principle, Einstein viewed it as the most critical test of his theory. This paper presents the computed value of the anomalous perihelion precession of Mercury's orbit using a new relativistic simulation model that employs a simple transformation factor for mass and time, proposed in an earlier paper. This computed value compares well with the prediction of general relativity and is, also, in complete agreement with the observed value within its range of uncertainty. No general relativistic equations have been used for computing the results presented in this paper.