Solving multiple-objective problems in the objective space

Projection and relaxation techniques are employed to decompose a multiobjective problem into a two-level structure. The basic manipulation consists in projecting the decision variables onto the space of the implicit tradeoffs, allowing the definition of a relaxed multiobjective master problem directly in the objective space. An additional subproblem tests the feasibility of the solution encountered by the relaxed problem. Some properties of the relaxed problem (linearity, small number of variables, etc.) render its solution efficient by a number of methods. Representatives of two different classes of multiobjective methods [the Geoffrion, Dyer, Feinberg (GDF) method and the fuzzy method of Baptistella and Ollero] are implemented and applied within this context to a water resources allocation problem. The results attest the computational viability of the overall procedure and its usefulness for the solution of multiobjective problems.This work was partially sponsored by grants from CNP_q and FAPESP, Brazil. The authors are indebted to the anonymous reviewers for their valuable comments.     

Self-assembled peptide tubelets with 7 A pores

Here we report the preparation and structural characteristics of self-assembling peptide tubelets composed of 32-membered rings formed of alternating alpha-amino acids and cis-3-aminocyclohexanecarboxylic acids. The tubelets possess a partial hydrophobic core environment, provided by the projection of the cyclohexane C2 methylene moiety into the lumen, and a Van der Waals pore diameter of about 7 A.     

Hypotheses sur la formation par pyrolyse du premier intermediaire a silicium digonal

The synthesis of 2,8-dimethyl 3,9-dichloro 6-sila[5.5] spiro undecatetra 2.4,8,10-ene is described. The thermal decomposition of the adduct formed by the reaction of this product with methyl acetylene dicarboxylate is studied. From the characterization of the copyrolysis products, two possible mechanisms are proposed which imply the formation of digonal silicon such as 2-silaallene and 2-silaketene.     

Application of strategically designed sample composition to the rapid analytical screening of milk samples for polychlorinated biphenyls

Strategically designed sample composition (SSC) is a new technique that decreases the number of analytical determinations needed in routine screening to as few as the number of original sample specimens while providing information that is specific to them. Although this new technique has been applied to environmental studies, this paper describes its first application to food safety studies. Contamination of milk samples with polychlorinated biphenyls (PCBs) was chosen as a case study to show the usefulness and potential of the SSC technique with a fast analytical procedure that involves saponification of the samples and solid-phase microextraction of the PCBs. A total of 20 sample specimens can be analyzed in 11 determinations with excellent predictions of the positive samples and the concentration levels of the contaminants. The robustness of the strategy was investigated and demonstrated.     

Electron transport in corona charged 12 μm teflon FEP with saturable deep traps

Surface-potential measurements carried out in negatively corona charged 12 m samples of fluorethylenepropylene (Teflon FEP) showed the following characteristics: 1) with a constant charging current, the potential initially rises linearly, and then sublinearly; 2) the potential saturates irrespectively of the charging process and 3) practically no potential decay is observed after switching off the corona. These results have been interpreted in terms of an usual model (field-independent trapping time) for charge transport in insulators, with saturable deep traps in both surface and bulk of the sample and a relatively high electron mobility in order to prevent free-space charge accumulation. The partial differential equations derived from the model are numerically solved and it was found that only the product of the mobility with the trapping time is relevant to the fitting of experimental results, provided that >10^–8 cm²/Vs. A field-dependent trapping time model leads to poorer fittings.     

Solution conformation of a nitrobenzoxadiazole derivative of the polyene antibiotic nystatin: a FRET study

Nystatin is a polyene antibiotic frequently applied in the treatment of topical fungal infections. In this work, a 7-nitrobenz-2-oxa-1,3-diazole (NBD) hexanoyl amide derivative of nystatin was synthesized and its detailed photophysical characterization is presented. The average conformation of the labelled antibiotic in tetrahydrofuran, ethanol and methanol was determined by intramolecular (tetraene to NBD) fluorescence resonance energy transfer measurements. At variance with the literature [Can. J. Chem. 63 (1985) 77-85], it was concluded that there is no need to invoke a solvent-dependent conformational equilibrium between extended and closed conformers of the antibiotic, because the mean tetraene-to-NBD separating distance was found to remain constant (approximately 18 A) in all the solvents studied. In addition, the large solvent dependence of the fluorescence anisotropy observed for the non-derivatized nystatin, was rationalized on the basis of the prolate ellipsoidal geometry of the molecule. It was concluded that the rod shaped and amphipathic antibiotic remains monomeric in different solvents within the concentration range studied (2-20 microM).     

A Method for Clustering and Screening of Long-dimensional Chemical Data Based on Fingerprints and Similarity Measurements

A method for the treatment of long-dimensional chemical data arrays is presented in this work with the aim of maximising classification models. The method is based on the construction of fingerprints and the subsequent generation of a similarity matrix. The similarity calculation has been modified through a scaling process to take into account different significance shown by the variables. The method was applied to spectral measurements of wines and several aspects were studied, namely: threshold considered in the construction of fingerprints and patterns, weighting factor used for scaling, normalisation method, etc. The application of both Principal Components Analysis and Soft-Independent Modelling of Class Analogies to the similarity matrices gave better classifications of the information than those obtained using original data.