Experiments with LAGRASP heuristic for set k-covering

The set k-covering problem (SC _k P) is a variant of the classical set covering problem, in which each object is required to be covered at least k times. We describe a hybrid Lagrangean heuristic, named LAGRASP, which combines subgradient optimization and GRASP with path-relinking to solve the SC _k P. Computational experiments carried out on 135 test instances show experimentally that by properly tuning the parameters of LAGRASP, it is possible to obtain a good trade-off between solution quality and running times. Furthermore, LAGRASP makes better use of the dual information provided by subgradient optimization and is able to discover better solutions and to escape from locally optimal solutions even after the stabilization of the lower bounds, whereas other strategies fail to find new improving solutions.     

Chitosan/(ureasil–PEO hybrid) blend for drug delivery

The effect of chitosan addition on the structure and drug release properties of ureasil–polyethylene oxide (U–PEO) hybrid materials was examined. The hybrids and the blends were prepared by the sol–gel route and their structural features were characterized by infrared spectroscopy, differential scanning calorimetry, X-ray powder diffraction, and small angle X-ray scattering. The different characterization techniques revealed the formation of transparent, rubbery, flexible, water-insoluble, and low crystalline chitosan/(U–PEO hybrid) blends, which could easily dissolve pramoxine (used as a model drug). The results showed that the combined addition of chitosan and pramoxine improved the compatibility of the organic and inorganic components of the U–PEO matrix, and provided a means of tailoring the amount of drug released at steady state equilibrium.     

Increased Antioxidant Activity and Changes in Phenolic Profile of Kalanchoe pinnata (Lamarck) Persoon (Crassulaceae) Specimens Grown Under Supplemental Blue Light

Antioxidant compounds protect plants against oxidative stress caused by environmental conditions. Different light qualities, such as UV‐A radiation and blue light, have shown positive effects on the production of phenols in plants. Kalanchoe pinnata (Lamarck) Persoon (Crassulaceae) is used for treating wounds and inflammations. Some of these beneficial effects are attributed to the antioxidant activity of plant components. We investigated the effects of blue light and UV‐A radiation supplementation on the total phenol content, antioxidant activity and chromatographic profile of aqueous extracts from leaves of K. pinnata. Monoclonal plants were grown under white light, white plus blue light and white plus UV‐A radiation. Supplemental blue light improved the antioxidant activity and changed the phenolic profile of the extracts. Analysis by HPLC of supplemental blue‐light plant extracts revealed a higher proportion of the major flavonoid quercetin 3‐O‐α‐l ‐arabinopyranosyl (1→2) α‐l ‐rhamnopyranoside, as well as the presence of a wide variety of other phenolic substances. These findings may explain the higher antioxidant activity observed for this extract. Blue light is proposed as a supplemental light source in the cultivation of K. pinnata, to improve its antioxidant activity.     

Synthesis,Mechanism Elucidation and Biological Insights of Tellurium(IV)-Containing Heterocycles

Inspired by the synthetic and biological potential of organotellurium substances, a series of five- and six-membered ring organotelluranes containing a Te−O bond were synthesized and characterized. Theoretical calculations elucidated the mechanism for the oxidation-cyclization processes involved in the formation of the heterocycles, consistent with chlorine transfer to hydroxy telluride, followed by a cyclization step with simultaneous formation of the new Te−O bond and deprotonation of the OH group. Moreover, theoretical calculations also indicated anti-diastereoisomers to be major products for two chirality center–containing compounds. Antileishmanial assays against Leishmania amazonensis promastigotes disclosed 1,2λ⁴-oxatellurane LQ50 (IC₅₀=4.1±1.0; SI=12), 1,2λ⁴-oxatellurolane LQ04 (IC₅₀=7.0±1.3; SI=7) and 1,2λ⁴-benzoxatellurole LQ56 (IC₅₀=5.7±0.3; SI=6) as more powerful and more selective compounds than the reference, being up to four times more active. A stability study supported by ¹²⁵Te NMR analyses showed that these heterocycles do not suffer structural modifications in aqueous-organic media or at temperatures up to 65 °C.     

A tabu search approach for solving a difficult forest harvesting machine location problem

This paper deals with two main problems in forest harvesting. The first is that of selecting the locations for the machinery to haul logs from the points where they are felled to the roadside. The second consists in designing the access road network connecting the existing road network with the points where machinery is installed. Their combination induces a very important and difficult problem to solve in forest harvesting. It can be formulated as a combination of two difficult optimization problems: a plant location problem and a fixed charge network flow problem. In this paper, we propose a solution approach based on tabu search. The proposed heuristic includes several enhancements of the basic tabu search framework. The main difficulty lies in evaluating neighboring solutions, which involves decisions related to location of machinery and to road network arcs. Hence, the neighborhood is more complex than in typical applications of metaheuristics. Minimum spanning tree algorithms and Steiner tree heuristics are used to deal with this problem. Numerical results indicate that the heuristic approach is very attractive and leads to better solutions than those provided by state-of-the-art integer programming codes in limited computation times, with solution times significantly smaller. The numerical results do not vary too much when typical parameters such as the tabu tenure are modified, except for the dimension of neighborhood.     

Query Optimization in Distributed Relational Databases

The query optimizer is the DBMS (data base management system) component whose task is to find an optimal execution plan for a given input query. Typically, optimization is performed using dynamic programming. However, in distributed execution environments, this approach becomes intractable, due to the increase in the search space incurred by distribution. We propose the use of the tabu search metaheuristic for distributed query optimization. A hashing-based data structure is used to keep track of the search memory, simplifying significantly the implementation of tabu search. To validate this proposal, we implemented the tabu search strategy in the scope of an existing optimizer, which runs several search strategies. We focus our attention on the more difficult problems in terms of the query execution space, in which the solution space includes bushy execution plans and Cartesian products, which are not dealt with very often in the literature. Using a real-life application, we show the effectiveness of tabu search when compared to other strategies.     

A transformation of hard (equality constrained) knapsack problems into constrained shortest path problems

The purpose of this paper is to show how hard (equality constrained) knapsack problems may be converted into constrained shortest path problems. Several directions along which such a transformation might be exploited for algorithmic purposes are suggested.     

Correlations of periodic,area-preserving maps

A simple analytical decay law for correlation functions of periodic, area-preserving maps is obtained. This law is compared with numerical experiments on the standard map. The agreement between experiment and theory is good when islands are absent, but poor when islands are present. When islands are present, the correlations have a long, slowly decaying tail.     

Study of percolation and clustering in supercritical water-CO2 mixtures

The microscopic structure of supercritical water-CO(2) mixture is investigated by neutron diffraction experiments exploiting the isotopic HD substitution. The investigated water reach mixtures are in the liquidlike region of the phase diagram, according to the behavior of the radial distribution functions, yet a reduction of the average number of hydrogen bonds, compared to equivalent states of pure water, is found. As a consequence, the average dimension of water clusters is reduced and the system stays below the percolation threshold. These results, along with the shift of the main peaks of the site-site radial distribution functions, suggest that the excess volume in these supercritical mixtures is likely associated with the CO(2) solvation shell.