Applying min–max <Emphasis Type="Italic">k</Emphasis> postmen problems to the routing of security guards

The most essential and alluring characteristic of a security estate is the estate's ability to provide 24-h security to its residents, of which the continual patrolling of roads and paths is vital. The objective of this paper is to address the lack of sufficient patrol route design procedures by presenting a tabu search algorithm capable of generating multiple patrol routes for an estate's security guards. The paper shows that the problem of designing these routes can be modelled as an Arc Routing Problem, specifically as min–max k postmen problems. The algorithm is illustrated with a real problem instance from an estate in Gauteng, South Africa. The patrol routes generated by the algorithm provide a significant improvement in the even patrolling of the road network, and a more balanced work distribution among guards. The algorithm is also tested on several benchmark problems from literature.     

The product of the restrained domination numbers of a graph and its complement

Let G=(V,E) be a graph.A set S■V is a restrained dominating set if every vertex in V-S is adjacent to a vertex in S and to a vertex in V-S.The restrained domination number of G,denoted γr(G),is the smallest cardinality of a restrained dominating set of G.In this paper,we show that if G is a graph of order n≥4,then γr(G)γr(G)≤2n.We also characterize the graphs achieving the upper bound.     

Pd–H and Ni–H phase diagrams using cluster variation method and Monte Carlo simulation

This work focuses on interstitial solid solutions of hydrogen in the face-centred cubic (fcc) host lattice of palladium and nickel, using a first-principles based approach. Cluster Variation Method (CVM) and Monte Carlo simulation algorithms were especially designed, allowing a coupled use of both techniques, to study hydrogen–vacancy interactions inside an fcc metallic host lattice. First-principles calculations provided the H–Vac interaction energies by structure inversion method. The phase diagrams and thermodynamic properties were computed using only theoretical inputs. The mechanisms leading to the formation of the miscibility gaps observed for both Pd–H and Ni–H systems and the hydrogen ordering on palladium interstitial lattice were reproduced without any empirical term.     

A density functional theory study of uranium(VI) nitrate monoamide complexes

Density functional theory calculations were performed on uranyl complexed with nitrate and monoamide ligands (L) [UO(2)(NO(3))(2)·2L]. The obtained results show that the complex stability is mainly governed by two factors: (i) the maximization of the polarizability of the coordinating ligand and (ii) the minimization of the steric hindrance effects. Furthermore, the electrostatic interaction between ligands and uranium(vi) was found to be a crucial parameter for the complex stability. These results pave the way to the definition of (quantitative) property/structure relationships for the in silico screening of monoamide ligands with improved extraction efficiency of uranium(vi) in nitrate acidic solution.     

Synthesis and anti-HIV activity of 5-haloethynyl and 5-(1,2-dihalo)vinyl analogues of AZT and FLT

In this paper, we report the synthesis of hitherto unknown 5-haloethynyl and 5-(1,2-dihalo)vinyluracil nucleoside analogues of the anti-HIV AZT, and FLT drugs. The key step of those syntheses is a Pd(0) cross-coupling at C5 position under Sonogashira conditions. Finally, based on their in vitro anti-HIV activities and their cytotoxicity on PBM, CEM, and VERO cell lines, the best compounds were the 2′,3′-dideoxy-3′-fluoro-5-(bromo-2-iodo)vinyluridine (10b, EC₅₀ of 0.6 μM), and the 3′-azido-2′,3′-dideoxy-5-(bromo-2-iodo)vinyluridine (16b, EC₅₀ of 1.1 μM).     

Mechanisms and kinetics of polymerization of thermoplastic polyimides. II. Study of “bridged” dianhydride/aromatic amine systems

The aim of the present work was to identify and follow the main and side reactions involved in the ring dehydration of amic acid prepared from “bridged” dianhydrides whose central substituent is an electron acceptor or donor, and an aromatic diamine. Several isomeric structures may appear as a result of the opening reactivity and selectivity of anhydride groups towards the aromatic amine. Reaction mechanisms and kinetics were thus studied in solvent phase with HPLC and ¹³C-NMR and in solid molten phase by FTIR and solid ¹³C-NMR. The experimental conditions (liquid and solid) and the structure of the products (type of central substituent) affecting the mechanisms and kinetics of the reactions were noted. © 1993 John Wiley & Sons, Inc.