A bi-population based scheme for an explicit exploration/exploitation trade-off in dynamic environments

Optimisation in changing environments is a challenging research topic since many real-world problems are inherently dynamic. Inspired by the natural evolution process, evolutionary algorithms (EAs) are among the most successful and promising approaches that have addressed dynamic optimisation problems. However, managing the exploration/exploitation trade-off in EAs is still a prevalent issue, and this is due to the difficulties associated with the control and measurement of such a behaviour. The proposal of this paper is to achieve a balance between exploration and exploitation in an explicit manner. The idea is to use two equally sized populations: the first one performs exploration while the second one is responsible for exploitation. These tasks are alternated from one generation to the next one in a regular pattern, so as to obtain a balanced search engine. Besides, we reinforce the ability of our algorithm to quickly adapt after cnhanges by means of a memory of past solutions. Such a combination aims to restrain the premature convergence, to broaden the search area, and to speed up the optimisation. We show through computational experiments, and based on a series of dynamic problems and many performance measures, that our approach improves the performance of EAs and outperforms competing algorithms.     

Cross-strand side-chain interactions versus turn conformation in beta-hairpins

A series of designed peptides has been analyzed by 1H-NMR spectroscopy in order to investigate the influence of cross-strand side-chain interactions in beta-hairpin formation. The peptides differ in the N-terminal residues of a previously designed linear decapeptide that folds in aqueous solution into two interconverting beta-hairpin conformations, one with a type I turn (beta-hairpin 4:4) and the other with a type I + G1 beta-bulge turn (beta-hairpin 3:5). Analysis of the conformational behavior of the peptides studied here demonstrates three favorable and two unfavorable cross-strand side-chain interactions for beta-hairpin formation. These results are in agreement with statistical data on side-chain interactions in protein beta-sheets. All the peptides in this study form significant populations of the beta-hairpin 3:5, but only some of them also adopt the beta-hairpin 4:4. The formation of beta-hairpin 4:4 requires the presence of at least two favorable cross-strand interactions, whereas beta-hairpin 3:5 seems to be less susceptible to side-chain interactions. A protein database analysis of beta-hairpins 3:5 and beta-hairpins 4:4 indicates that the former occur more frequently than the latter. In both peptides and proteins, beta-hairpins 3:5 have a larger right-handed twist than beta-hairpins 4:4, so that a factor contributing to the higher stability of beta-hairpin 3:5 relative to beta-hairpin 4:4 is due to an appropriate backbone conformation of the type I + G1 beta-bulge turn toward the right-handed twist usually observed in protein beta-sheets. In contrast, as suggested previously, backbone geometry of the type I turn is not adequate for the right-handed twist. Because analysis of buried hydrophobic surface areas on protein beta-hairpins reveals that beta-hairpins 3:5 bury more hydrophobic surface area than beta-hairpins 4:4, we suggest that the right-handed twist observed in beta-hairpin 3:5 allows a better packing of side chains and that this may also contribute to its higher intrinsic stability.     

Fate of Triclocarban,Triclosan and Methyltriclosan during wastewater and biosolids treatment processes

Triclocarban (TCC) and Triclosan (TCS) are two antibacterial chemicals present in household and personal care products. Methyltriclosan is a biodegradation product of TCS formed under aerobic conditions. TCC and TCS are discharged to Waste Water Treatment Plants (WWTP) where they are removed from the liquid phase mainly by concentrating in the solids. This study presents a thorough investigation of TCC, TCS and MeTCS concentrations in the liquid phase (dissolved + particulate) as well as solid phases within a single, large WWTP in the U.S. Total TCC and TCS concentrations decreased by >97% with about 79% of TCC and 64% of TCS transferred to the solids. The highest TCC and TCS removal rates from the liquid phase were reached in the primary treatment mainly though sorption and settling of solids. The TCC mass balances showed that TCC levels remain unchanged through the secondary treatment (activated sludge process) and about an 18% decrease was observed through the nitrification–denitrification process. On the other hand, TCS levels decreased in both processes (secondary and nitrification–denitrification) by 10.4 and 22.6%, respectively. The decrease in TCS levels associated with observed increased levels of MeTCS in secondary and nitrification–denitrification processes providing evidence of TCS biotransformation. Dissolved-phase concentrations of TCC and TCS remained constant during filtration and disinfection. TCC and TCS highest sludge concentrations were analyzed in the primary sludge (13.1 ± 0.9 μg g^?1 dry wt. for TCC and 20.3 ± 0.9 μg g^?1 dry wt. for TCS) but for MeTCS the highest concentrations were analyzed in the secondary sludge (0.25 ± 0.04 μg g^?1 dry wt.). Respective TCC, TCS and MeTCS concentrations of 4.15 ± 0.77; 5.37 ± 0.97 and 0.058 ± 0.003 kg d^?1 are leaving the WWTP with the sludge and 0.13 ± 0.01; 0.24 ± 0.07 and 0.021 ± 0.002 kg d^?1 with the effluent that is discharged.     

Metabolic pathways of the colonic metabolism of flavonoids (flavonols,flavones and flavanones) and phenolic acids

Flavonoids are metabolized by the gut microflora giving rise to a wide range of phenolic acids that may exert systemic effects in the body. Nevertheless, the colonic metabolism pathways and the function of the metabolites formed are poorly studied. In the present study, the individual colonic metabolism of three subclasses of flavonoids (flavonols, flavones and flavanones) and phenolic acids was evaluated. For this, seven standards of flavonoids (quercetin, quercetin–rhamnoside, quercetin–rutinoside, myricetin, luteolin, naringenin and kaempferol–rutinoside) and two phenolic acids (protocatechuic acid and gallic acid) were submitted to an in vitro fermentation model using rat colonic microflora. Simultaneously, a nuts–cocoa cream enriched with these standards of flavonoids was incubated and the colonic metabolism of these compounds was evaluated. The results showed that the greatest number of colonic metabolites came from the fermentation of quercetin and quercetin–rhamnoside, and the maximum concentration of fermentation products was observed after 48 h of fermentation. On the other hand, a smaller number of fermentation products were observed after the colonic fermentation of kaempferol–rutinoside, naringenin, luteolin and myricetin. The phenolic acids were slightly metabolized by the colonic microflora.     

Study of the thermal initiation of ammonium dinitramide (ADN) crystals and prills

Abstract

The thermal initiation by electron beam heating (and calibrated hot stage), of single crystals and prills of ADN, has been filmed / recorded in an Environmental Scanning Electron Microscope, from the formation of microscopic “reaction sites” (0.01 μm in diameter) to full crystal consumption. The transformations of the ADN prills and crystals were compared and recorded in real time at various magnifications (x10,000-100) and under different atmospheres (pure nitrogen and nitrogen/water vapour mixtures). The initiation characteristics of the prills and crystals were found to differ and are related to the microstructural characteristics produced by different prill manufacturing techniques namely, the “prilling tower” technique (Thiokol) and the “melt-stir” technique (CSD).     

Treatment of wastewater containing high phenol concentrations using stabilisation ponds enriched with activated sludge.

Treatment of wastewater containing high phenol concentrations (up to 4,000 mg/l, 1,600 kg/ha.d) in laboratory-scale stabilisation ponds enriched with activated sludge was studied. Phenol was biodegraded efficiently, even when fed as the sole carbon source. At influent concentrations of 1,000, 1,300, 1,600, 1,900, 2,500, 3,000 and 4,000 mg/l of phenol (loading rates of 400, 520, 640, 760, 1,000, 1,200 and 1,600 kg phenol/ha.d), the phenol removal efficiencies were 92, 89, 81, 81, 76, 65 and 22%, respectively. At 4,000 mg/l of phenol, the enriched ponds were significantly inhibited. The maximum phenol removal rate observed was 780 kg/ha.d, which is 7.7 times higher than the maximum value reported for attached-growth waste stabilisation ponds. All along the experiments, the enriched ponds showed removal rates 1.8-20.5 times higher than the values observed in control pond (not enriched). The results suggest that enrichment is an effective method to increase xenobiotic removal rates of stabilisation ponds.     

Application of barcoding to Amazonian commercial fish labelling

Methods for seafood authentication are increasingly demanded in food sciences. In this study we have detected mislabelling for eight out of 22 Amazonian fish species in two Brazilian markets, employing species-specific DNA markers. Mislabelling was most likely due to inadvertent errors in fish classification. These results emphasize the convenience of applying DNA methodology for seafood authentication.     

Induced‐Fit Docking Approach Provides Insight into the Binding Mode and Mechanism of Action of HIV‐1 Integrase Inhibitors

A three‐dimensional model of a complex between HIV‐1 integrase (IN), viral DNA, and metal ions that we recently built was used as a target for a docking method (induced‐fit docking, IFD) that accurately predicts ligand binding modes and concomitant structural changes in the receptor. Six different well‐known integrase strand transfer inhibitors (INSTIs): L‐708,906, L‐731,988, S‐1360, L‐870,810, raltegravir, and elvitegravir were thus used as ligands for our docking simulations. The obtained IFD results are consistent with the mechanism of action proposed for this class of IN inhibitors, that is, metal chelating/binding agents. This study affords new insight into the possible mechanism of inhibition and binding conformations for INSTIs. The impact on our hypothesis of specific mutations associated with IN inhibitor resistance was also evaluated. All these findings might have implications for integrase‐directed HIV‐1 drug discovery efforts.     

A methodology for predicting the severity of environmental impacts related to the construction process of residential buildings

This paper introduces a systematic approach for dealing with potential adverse environmental impacts at the pre-construction stage. The proposed methodology serves as an assessment tool for construction projects to measure the environmental performance of their construction activities. It also provides a consistent basis for comparisons and for future eco-labelling and environmental benchmarking among construction companies and construction sites. Within the methodological framework, nine categories of environmental aspects are proposed: atmospheric emissions; water emissions; waste generation; soil alteration; resource consumption; local issues; transport issues; effects on biodiversity; and incidents, accidents and potential emergency situations. The methodology includes 20 performance indicators developed with the help of a panel of experts. In order to avoid a typical shortcoming in environmental assessments methods, these environmental indicators, both direct and indirect, are always based on quantitative data available in the project documents. Significance limits for environmental aspects are also developed based on a statistical analysis of 55 new-start construction projects. Four case studies are provided to illustrate the practical use of the proposed methodology.     

Different scales for studying the effectiveness of long-term forest fire retardants

The effectiveness of long-term retardants used in forest fire fighting has been studied at three different scales. In this paper, retardant effectiveness experiments conducted since 1965 are examined and reviewed. These experiments include studies carried out with analytical instrumentation as well as studies involving laboratory and field flame-spread tests. Special attention is paid to the work performed with diammonium phosphate (DAP) and ammonium sulfate (AS). The experimental methodologies and the results obtained are reviewed in detail. A lack of effort in the modeling of fire behavior under the effect of these products is evidenced and recommendations for further work are made.