An algorithm to locate perinatal facilities in the municipality of Rio de Janeiro

In order to reduce infant mortality in the municipality of Rio de Janeiro it is desired to encourage all mothers-to-be to attend the appropriate health care facilities. A 3-level hierarchical prenatal–neonatal health care system is described together with a basic model for optimising accessibility to facilities. A genetic algorithm to solve the basic model is developed and some numerical experience reported. Extensions to the basic model and planned future research are briefly indicated.     

Electronic structure of Ti metal and TiO2 powder studied by hard and soft (Cu Kα1 and Al Kα1) X-ray photoelectron and Auger spectroscopy

High-energy X-ray photoelectron spectroscopy (XPS) is of particular importance for minimizing the effects of surface contamination by increasing photoelectron escape depths. In this study high-resolution high-energy Cu Kα₁ and soft Al Kα₁ XPS and Auger electron spectroscopy were used to compare the electronic structure of Ti in TiO₂ powder and Ti metal. The Ti 1s in TiO₂ XPS line is narrower and more symmetric than in Ti metal. A comparison of the relative intensities of the L₂₃M₂₃M₄₅ and L₂₃M₂₃M₂₃ Auger transitions in Ti metal and TiO₂ is consistent with the expected transfer of Ti 3d electrons away from the Ti site in the oxide. The satellites accompanying the Ti 1s XPS line excited by Cu Kα₁ X-rays occur at the same energies as the satellites accompanying the Ti 2s and 2p XPS lines excited by Al Kα₁ X-rays indicating that they do not depend on the core-level, the experimental resolution or inelastic scattering processes.     

The Two-Body Interaction with a Circle in Time

We complete our previous^{(1, 2)} demonstration that there is a family of new solutions to the photon and Dirac equations using spatial and temporal circles and four-vector behaviour of the Dirac bispinor. We analyse one solution for a bound state, which is equivalent to the attractive two-body interaction between a charged point particle and a second, which remains at rest. We show this yields energy and angular momentum eigenvalues that are identical to those found by the usual method of solving of the Dirac equation,⁽⁴⁾ including fine structure. We complete our previous derivation⁽²⁾ of QED from a set of rules for the two-body interaction and generalise these. We show that QED may be decomposed into a two-body interaction at every point in spacetime.     

Symmetric <Emphasis Type="Italic">X</Emphasis><Subscript>9</Subscript> singularities and complex affine reflection groups

We establish a natural correspondence between the finite order automorphisms of the function singularities X ₉ and the complex crystallographic groups. A complete list of the related objects is obtained. To Vladimir Igorevich on the occasion of his 70th birthday     

Studies on Rare-Earth/Iron and Actinide/Iron Multilayers

Hyperfine Interactions - Multilayers of Ce/Fe and U/Fe were fabricated by sputtering and studied by X-ray diffraction and reflectivity, Mössbauer spectroscopy and polarised neutron...     

A note on scheduling to meet two min-sum objectives

We consider a single machine scheduling problem with two min-sum objective functions: the sum of completion times and the sum of weighted completion times. We propose a simple polynomial time (1+(1/γ),1+γ)-approximation algorithm, and show that for γ>1, there is no (x,y)-approximation with 1<x<1+(1/γ) and 1<y<1+(γ-1)/(2+γ).     

Scatter search for the vehicle routing problem with time windows

In this paper we use a scatter search framework to solve the vehicle routing problem with time windows (VRPTW). Our objective is to achieve effective solutions and to investigate the effects of reference set design parameters pertaining to size, quality and diversity. Both a common arc method and an optimization-based set covering model are used to combine vehicle routing solutions. A reactive tabu search metaheuristic and a tabu search with an advanced recovery feature, together with a set covering procedure are used for solution improvement. Our approach led to a robust solution method, generating solution quality that is competitive with the current best metaheuristics.     

The diastereoselective synthesis of functionalised isoxazolidines using a Cope elimination/intramolecular nitrone cycloaddition strategy

Functionalised hydroxylamine derivatives of (S)-prolinol prepared by a Cope elimination have been found to undergo oxidation to the nitrone either in the presence of air or a catalytic quantity of TPAP. These undergo intramolecular cycloaddition to give tricyclic isoxazolidines with high diastereoselectivity.     

Structure and catalytic activity of some soluble polyethylene glycol-peptide conjugates

Soluble catalysts for the Juliá-Colonna asymmetric epoxidation reaction have been constructed in three different ways, using NH₂-PEG-OMe as the support system: suitable solvents have been identified and it is shown that the degree of helicity of the conjugates correlates with the extent of conversion and (to a lesser extent) the enantioselectivity of epoxidation.     

COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems

Summary Four modifications to the COSMIC molecular mechanics force field are described, which greatly increase both its versatility and the accuracy of calculated conformational energies. The Hill non-bonded van der Waals potential function has been replaced by a two-parameter Morse curve and a new H-H potential, similar to that in MM3, incorporated. Hydrocarbon energies in particular are much improved.A simple iterative Hückel pi-electron molecular orbital calculation allows modelling of conjugated systems. Calculated bond lengths and rotational barriers for a series of conjugated hydrocarbons and nitrogen heterocycles are shown to be as accurate as those determined by the MM2 SCF method.Explicit hydrogen-bonding potentials for H-bond acceptor-donor atom pairs have been included to give better hydrogen bond energies and lengths. The van der Waals radii of protonic hydrogens are reduced to 0.5 Å and the energy well depth is increased to 1.0 kcal mol^-1.Two new general atom types, N⁺ _sp ² and O^- _sp ³ , have been introduced which allow a wide variety of charged conjugated systems to be studied. A minimum of parameterisation is required, as the new types are easily included in the Hückel scheme which automatically adjusts bond and torsional parameters according to the defined bond-order relationships.