A differential inclusion approach for modeling and analysis of dynamical systems under uncertainty

In this paper we deal with the application of differential inclusions to modeling nonlinear dynamical systems under uncertainty in parameters. In this case, differential inclusions seem to be better suited to modeling practical situations under uncertainty and imprecision than formulations by means of fuzzy differential equations. We develop a practical algorithm to approximate the reachable sets of a class of nonlinear differential inclusion, which eludes the computational problems of a previous set-valued version of the Heun’s method. Our algorithm is based on a complete discretization (time and state space) of the differential inclusion and it suits hardware features, handling the memory used by the method in a controlled fashion during all iterations. As a case of study, we formulate a differential inclusion to model an epidemic outbreak of dengue fever under Cuban conditions. The model takes into account interaction of human and mosquito populations as well as vertical transmission in the mosquito population. It is studied from the theoretical point of view to apply the Practical Algorithm. Also, we estimate the temporal evolution of the different human and mosquito populations given by the model in the Dengue 3 epidemic in Havana 2001, through the computation of the reachable sets using the Practical Algorithm.     

Electroseparation of an antibacterial peptide fraction from snow crab by-products hydrolysate by electrodialysis with ultrafiltration membranes

Recently, a snow crab by-products hydrolysate has demonstrated antibacterial properties due to a peptide with a molecular weight of about 800 Da, but only at high concentration. Consequently, peptide hydrolysate has been fractionated to obtain peptides in a more purified form. The aim of this work was to separate a snow crab by-products hydrolysate by electrodialysis with ultrafiltration membranes (EDUF). EDUF, which allows separation of molecules according to their charges and molecular weights, was used to recover and concentrate the active antibacterial fraction. Two different ultrafiltration membranes (20 and 50 kDa) and two electrical field strengths (2 and 14 V/cm) were used as separation parameters. After EDUF separation, the 300-600 Da peptide molecular weight range was the most recovered with an abundance of 94%. Moreover, fractionation at 14 V/cm with ultrafiltration membranes of 50 kDa allowed the recovery of an anionic fraction which showed antibacterial properties on Escherichia coli ATCC 25922 and Listeria innocua HPB 13.     

A cross‐cultural comparison of colour emotion for two‐colour combinations

Psychophysical experiments were conducted in the UK, Taiwan, France, Germany, Spain, Sweden, Argentina, and Iran to assess colour emotion for two‐colour combinations using semantic scales warm/cool, heavy/light, active/passive, and like/dislike. A total of 223 observers participated, each presented with 190 colour pairs as the stimuli, shown individually on a cathode ray tube display. The results show consistent responses across cultures only for warm/cool, heavy/light, and active/passive. The like/dislike scale, however, showed some differences between the observer groups, in particular between the Argentinian responses and those obtained from the other observers. Factor analysis reveals that the Argentinian observers preferred passive colour pairs to active ones more than the other observers. In addition to the cultural difference in like/dislike, the experimental results show some effects of gender, professional background (design vs. nondesign), and age. Female observers were found to prefer colour pairs with high‐lightness or low‐chroma values more than their male counterparts. Observers with a design background liked low‐chroma colour pairs or those containing colours of similar hue more than nondesign observers. Older observers liked colour pairs with high‐lightness or high‐chroma values more than young observers did. Based on the findings, a two‐level theory of colour emotion is proposed, in which warm/cool, heavy/light, and active/passive are identified as the reactive‐level responses and like/dislike the reflective‐level response. © 2010 Wiley Periodicals, Inc. Col Res Appl, 2012     

Bulk and Surface Properties of Liquid Al-Li and Li-Zn Alloys

Physicochemical properties like density, surface tension, and viscosity of liquid binary Al-Li and Li-Zn alloys have been measured using draining crucible method. The experimentally measured surface-tension values have been compared to theoretical results based either on the Butler model or the compound formation model assuming the existence of the most favored A ₁ B ₂ and A ₂ B ₃ clusters. Several models for viscosity calculation have been also applied and discussed in confrontation with measured data. Finally, the clustering effects in the liquid Al-Li and Li-Zn alloys have been examined using two microscopic functions, i.e., the concentration fluctuation function in the long-wavelength limit and the Warren-Cowley short-range order parameter.     

Identification of the Primary Factors Determining the Specificity of Human VKORC1 Recognition by Thioredoxin-Fold Proteins

Redox (reduction–oxidation) reactions control many important biological processes in all organisms, both prokaryotes and eukaryotes. This reaction is usually accomplished by canonical disulphide-based pathways involving a donor enzyme that reduces the oxidised cysteine residues of a target protein, resulting in the cleavage of its disulphide bonds. Focusing on human vitamin K epoxide reductase (hVKORC1) as a target and on four redoxins (protein disulphide isomerase (PDI), endoplasmic reticulum oxidoreductase (ERp18), thioredoxin-related transmembrane protein 1 (Tmx1) and thioredoxin-related transmembrane protein 4 (Tmx4)) as the most probable reducers of VKORC1, a comparative in-silico analysis that concentrates on the similarity and divergence of redoxins in their sequence, secondary and tertiary structure, dynamics, intraprotein interactions and composition of the surface exposed to the target is provided. Similarly, hVKORC1 is analysed in its native state, where two pairs of cysteine residues are covalently linked, forming two disulphide bridges, as a target for Trx-fold proteins. Such analysis is used to derive the putative recognition/binding sites on each isolated protein, and PDI is suggested as the most probable hVKORC1 partner. By probing the alternative orientation of PDI with respect to hVKORC1, the functionally related noncovalent complex formed by hVKORC1 and PDI was found, which is proposed to be a first precursor to probe thiol–disulphide exchange reactions between PDI and hVKORC1.     

The generalized amalgam method for modal reduction

In this paper, we propose an extension of the amalgam method to reduce advection diffusion problem with time dependent parameters. From a full general basis, this technique consists to select rapidly the most influent modes, and to add to them the remaining modes balanced by a coefficient. The originality of this paper lies in the fast obtention of a full degraded model, used as a reference in a minimization process of the reduced model’s error. Transcribed to the physical space, this error approaches the error between the reduced model and the real physical finite elements model. The treated application is a disk rotating at a variable velocity with time dependent thermal inputs. Comparison between the reduced and the finite elements model gives a gain in term of computational time of 36 for a mean error on the entire domain equal to 0.42%.     

Towards a Practical and Efficient Copper-Catalyzed Trifluoromethylation of Aryl Halides

The first copper-catalyzed trifluoromethylation of aryl halides was developed that utilizes inexpensive trifluoroacetates. Providing low concentrations of the most economically attractive and atom-efficient trifluoromethylation reagent this new protocol is advantageous compared to known procedures both economically and ecologically.     

Long-term monitoring of natural hydrogen superficial emissions in a brazilian cratonic environment. Sporadic large pulses versus daily periodic emissions

In many basins, hydrogen-emitting structures are now observed, but the estimation of the H₂ flow leading to their formation remains poorly constrained since all data show that the H₂ emissions are variable in space and time. We present here the data of a long-term monitoring campaign with a high density of permanent hydrogen detectors installed in 2 structures in the Minas Gerais State (Brazil). Results show that two kinds of signals are recorded, large sporadic pulses that affect the H₂ content of the soil for one or two days and smaller ones, with a daily periodicity, that last 6 h and during which the near surface soil concentration usually does not exceed 200 ppm. This last signal is very regular in frequency, less in amount, and the daily maximum happens around noon or in the early afternoon. We interpret the large pulses as evidences of a deep hydrogen flux, leaking either from a reservoir located in the subsurface, from an aquifer which is degassing or, although it seems unlikely, directly from the H₂ generation area.The time correlation between the pulse and the increase of the daily signal suggests that this last one corresponds to the slow release of the gas that has been captured by the soil during its transport towards the surface. This daily signal is most likely influenced by external factors such as atmospheric pressure and sub-surface bacterial activity. In map view, the lack of correlation between the highest hydrogen concentrations over time suggests that the soil is very heterogeneous and that preferential pathways exist. The results confirm that long-term monitoring, over a few months, is mandatory to catch a certain number of high pulses and so to have a better estimation of the real flow. Data also suggests that sensors with a large concentration range should be used (from 10 to several 10⁴ ppm). Even if quantification of leakage doesn't help to quantify the subsurface reserves, these new data allow a more precise evaluation of the quantity of H₂ released in surface by these structures, few hundred of kilo per day, and confirm the high H₂ prospectivity of this basin.