Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future

Among the different aquaporins (AQPs), human aquaporin-4 (hAQP4) has attracted the greatest interest in recent years as a new promising therapeutic target. Such a membrane protein is, in fact, involved in a multiple sclerosis-like immunopathology called Neuromyelitis Optica (NMO) and in several disorders resulting from imbalanced water homeostasis such as deafness and cerebral edema. The gap of knowledge in its functioning and dynamics at the atomistic level of detail has hindered the development of rational strategies for designing hAQP4 modulators. The application, lately, of molecular modeling has proved able to fill this gap providing a breeding ground to rationally address compounds targeting hAQP4. In this review, we give an overview of the important advances obtained in this field through the application of Molecular Dynamics (MD) and other complementary modeling techniques. The case studies presented herein are discussed with the aim of providing important clues for computational chemists and biophysicists interested in this field and looking for new challenges.     

Effects of carbonaceous nanoparticles from low-emission and older diesel engines on human skin cells

Diesel exhaust particles (DEP) are major constituents of ambient air pollution and are associated with respiratory and cardiovascular diseases as well skin cell alterations in vitro. The epidermal cells are among the first cell populations exposed to chemical pollutants, including DEP, and are an important source of pro-inflammatory mediators. We evaluated the effects of carbonaceous soot particles from current low-emission (Euro IV) diesel engines on the oxidative and inflammatory response of normal human skin cells and compared the results with those induced by carbonaceous soot particles from an older diesel engine (BS) operating under black smoke conditions. We observed that both soot nanoparticles were spontaneously internalised by keratinocytes and distributed mostly around the cell nucleus. Moreover, at the same mass concentration, Euro IV soot particles exhibited a much higher oxidative, pro-fibrotic and toxic potential on these cell types than soot particles from the older diesel engine. These results are in agreement with and confirm our previous findings on human macrophage cells and strengthen the assumption that, at the same mass concentration, soot particles produced under low emission conditions are more cytotoxic than particles from the older diesel engine. This effect could be assigned to the defective surface structure of Euro IV diesel soot, rendering it highly active. Our findings highlight that the reduction of soot emission in terms of mass does not automatically lead to a reduction of the dangerous effects and show that soot particles from different diesel engines possess different biological behaviour towards human cells.     

Oxygen permeation in PET bottles with passive and active walls

The aim of this paper is to provide a framework, whereby gas permeation rates through plastic packaging walls, and hence, food shelf life may be estimated. Although the approach is quite general, specific attention is given to the case of liquid‐filled polyethylene terephthalate (PET) bottles with oxygen as the permeating gas. Two situations are considered: when the walls simply provide a passive resistance to the flux (as is the case for standard PET or PET blended with some other low permeability material) and when an active gas scavenger is incorporated within the boundary material. For the passive wall, permeability data relative to oxygen have been collected from literature sources and also measured using specific oxygen transmission rate experiments. For the active walls, scavenger kinetic constants were estimated from data obtained using test bottles prepared with varying scavenger concentrations. Numerical predictions in both cases have been verified by comparison with data on gas concentration in water‐filled bottles maintained under controlled conditions for periods of up to 6 months. Copyright © 2008 John Wiley & Sons, Ltd.     

Medium and interface components in impedance microbiology

Classic impedance microbiology (CIM) is based on the measurement of the impedance components that appear between a pair of electrodes submerged in a cell containing inoculated broth. Either a bipolar or a tetrapolar technique can be applied, requiring about 1 x 10(3) to 3 x 10(7) cells/ml to produce detectable changes in the impedance curves. Theoretical analysis of the electrode-electrolyte interface during bacterial growth is lacking, with no generally accepted measuring standards. Besides, there is considerable disagreement. We separated out the interface and medium components using the frequency variation technique (FVT) and also analyzed the interface reactance-resistance diagram, both before and after bacterial growth. Medium resistance Rm, interface reactance Xi, and interface resistance Ri, were quantified as time functions growth curves, from the complex bipolar impedance seen between two electrodes. We took into account the electrical current density, the temperature and the associated circuitry, also explaining the theoretical and experimental bases that justify the proposed dissecting procedure. It was found that, within the working frequency range, Rm, Ri, and Xi percental growth curves are frequency-independent, i.e., neither Rm(f), nor Xi(f) nor Ri(f) changed their slopes before, during and after bacterial growth. Besides, no alpha-dispersion effect in Rm curves was detected. It is concluded that impedance microbiology could become a fertile area for interdisciplinary knowledge; its development might offer new avenues for basic and applied research.     

Black curves and creep behaviour of crumb rubber modified binders containing warm mix asphalt additives

Warm mix asphalt (WMA) is a new research topic in the field of road pavement materials. This technology allows lower energy consumption and greenhouse gas (GHG) emissions by reducing compaction and placement temperatures of the asphalt mixtures. However, this technology is still under study, and the influence of the WMA additives has yet to be investigated thoroughly and clearly identified, especially in the case of crumb rubber modified (CRM) binders.In order to study the effect that different types and quantities of organic waxes have on the high and intermediate temperature properties of 15 % and 20 % CRM binders, a dynamic shear rheometer (DSR) was used. Using Black diagrams, the rheological behaviour of the binders for the defined range of test temperature and frequency are summarised in a single diagram. In this way, a preliminary evaluation of the rheological behaviour in the extended domain of time and temperature can be attained as well as the effectiveness of the time–temperature superposition principle (TTSP) on the materials under study. Creep tests were also performed in order to evaluate the differences regarding mechanical response due to the addition of rubber and WMA additives, and particularly the ability to recover the strain at high temperatures.The results of this study reveal that these binders do not conform to the Time Temperature Superposition Principle (TTSP) and their rheological behaviour is strongly affected by the interaction of waxes and bituminous matrix and thus generally exhibited a higher elasticity compared to the corresponding control binder. The creep test results carried out proved the enhancement of elasticity and the resistance to permanent deformation produced by the addition of waxes. The WMA additives significantly lower the maximum deformation when compared to the control binders and slightly increased their elastic recovery.     

Topological invariants for lines

A set of topological invariants for relations between lines embedded in the 2-dimensional Euclidean space is given. The set of invariants is proven to be necessary and sufficient to characterize topological equivalence classes of binary relations between simple lines. The topology of arbitrarily complex geometric scenes is described with a variation of the same set of invariants. Polynomial time algorithms are given to assess topological equivalence of two scenes. Invariants and efficient algorithms is due to application areas of spatial database systems where a model for describing topological relations between planar features is sought     

Search: A routing protocol for mobile cognitive radio ad-hoc networks

Recent research in the emerging field of cognitive radio (CR) has mainly focussed on spectrum sensing and sharing, that allow an opportunistic use of the vacant portions of the licensed frequency bands by the CR users. Efficiently leveraging this node level channel information in order to provide timely end-to-end delivery over the network is a key concern for CR based routing protocols. In addition, the primary users (PUs) of the licensed band affect the channels to varying extents, depending on the proportion of the transmission power that gets leaked into the adjacent channels. This also affects the geographical region, in which, the channel is rendered unusable for the CR users. In this paper, a geographic forwarding based SpEctrum Aware Routing protocol for Cognitive ad-Hoc networks (SEARCH), is proposed that (i) jointly undertakes path and channel selection to avoid regions of PU activity during route formation, (ii) adapts to the newly discovered and lost spectrum opportunity during route operation, and (iii) considers various cases of node mobility in a distributed environment by predictive Kalman filtering. Specifically, the optimal paths found by geographic forwarding on each channel are combined at the destination with an aim to minimize the hop count. By binding the route to regions found free of PU activity, rather than particular CR users, the effect of the PU activity is mitigated. To the best of our knowledge, SEARCH takes the first steps towards a completely decentralized, CR routing protocol for mobile ad-hoc networks and our approach is thoroughly evaluated through analytical formulations and simulation study.     

On the regularity of circular splicing languages: a survey and new developments

Circular splicing has been introduced to model a specific recombinant behaviour of circular DNA, continuing the investigation initiated with linear splicing. In this paper we focus on the relationship between regular circular languages and languages generated by finite circular splicing systems. We survey the known results towards a characterization of the intersection between these two classes and provide new contributions on the open problem of finding this characterization. First, we exhibit a non-regular circular language generated by a circular simple system thus disproving a known result in this area. Then we give new results related to a restrictive class of circular splicing systems, the marked systems. Precisely, we review in a graph theoretical setting the recently obtained characterization of marked systems generating regular circular languages. In particular, we define a slight variant of marked systems, that is the g-marked systems, and we introduce the graph associated with a g-marked system. We show that a g-marked system generates a regular circular language if and only if its associated graph is a cograph. Furthermore, we prove that the class of g-marked systems generating regular circular languages is closed under a complement operation applied to systems. We also prove that marked systems with self-splicing generate only regular circular languages.     

Sedimentation Velocity of Solids in Finite Size Vessels

The Richardson‐Zaki equation is by far the most popular empirical equation used to describe the velocity‐voidage relationship for sedimenting solid‐liquid homogeneous suspensions, using only two empirical parameters. In this work some of Richardson and Zaki suggestions for the two parameters are challenged on the basis of new and old experimental evidence.