Study of some factors involved in ethanal production during alcoholic fermentation

The influence of temperature, turbidity and oxygen uptakes to the musts on the production of ethanal by yeasts, during the alcoholic fermentation (AF), has been studied. The aim was to evaluate how increasing and controlling the production of this molecule, in order to anticipate the reactions between anthocyanins and flavans from the second half of the AF. This concerns, in particular, those winemaking techniques consisting in a temporarily separate fermentation of a part of the must (35–40% of the total mass), that is drained before the start of the AF. The experimental design was a complete factorial plan with three factors upon two levels (T = 18 °C and 22 °C; with or without oxygen; turbidity of 30 and 120 NTU); data were elaborated with 3-ways ANOVA. Temperature proved to be the main factor influencing ethanal production during AF: higher temperatures (22 °C versus 18 °C) cause an increase of the ethanal content during the first days of fermentation; after having reached 6–7% of ethanal, the effect is inverted. The influence of turbidity is less important, and it's synergic with the effect of temperature. Oxygen has a detrimental effect on the production of ethanal only at the beginning of the AF, while later, in presence of ethanol, it promotes it through a chemical way.     

On the migration and trapping of single self-interstitial atoms in dilute and concentrated Fe–Cr alloys: Atomistic study and comparison with resistivity recovery experiments

Atomistic simulations have been used to characterize the mobility of single self interstitial atoms (SIAs) in Fe–Cr alloys of different compositions. Density functional theory (DFT) results concerning the interaction energies between an SIA and Cr atoms in different configurations and relative positions have been extended to concentrated alloys by using an empirical potential (EP). This EP, fitted to a set of DFT data so as to provide a correct heat of mixing and point defect features, has been further validated. Static calculations using the EP allowed the existence of configuration traps for SIAs to be identified and their strength and concentration to be assessed. Dynamic simulations were used to estimate the diffusion coefficient of the SIA, as well as to characterize the primary damage state after low-temperature electron irradiation (1–5 MeV), in Fe–Cr alloys of different Cr content. The results correlate with available experimental data and provide a qualitative and partially also quantitative explanation for the observed differences in the resistivity recovery stages in diluted and concentrated Fe–Cr alloys of different composition.     

An optical study of alumina films thermal evolution upon ammonia annealing

The physical and structural evolution of alumina films deposited by ALCVD annealed at high temperatures in N₂ has been studied.Low temperature post deposition treatments in NH₃ (PDN) have been performed to evaluate the impact of nitrogen incorporation in the alumina film on its thermal stability. Thermal evolution has been studied by deep UV spectroscopic ellipsometry and grazing X-ray reflectance techniques. AFM measurements were also performed to confirm and complete the ellipsometric and GXR analysis.The change of the crystalline structure was detected by ellipsometry by the different UV refractive index, while the GXR provided a unique thickness evaluation.It was therefore possible to determine the layer densification after the thermal treatment and the impact of the PDN on the transition temperature.     

A new flow reactor for the treatment of polluted water with microwave and ultrasound

Microwave (MW) and high‐intensity ultrasound (US) provide innovative techniques for the degradation of persistent organic pollutants (POPs). When Fenton's reagent is used to treat industrial wastes, organic pollutants are degraded by highly reactive hydroxyl radicals (HO·) that can oxidize almost any organic compound to carbon dioxide and water. These reactions, when carried out under US or MW, are faster and much more efficient. The present work assesses the combined effect of US and MW using a new flow reactor developed in our laboratory. In this 5 L pilot reactor the liquid was pumped in parallel through a modified domestic MW oven and through a cell where it was irradiated with two US generators working at 20 and 300 kHz, while MW irradiation took place in a modified domestic oven. We studied the degradation of 2,4‐dibromophenol (0.1 g L^?1 in water) by Fenton's reagent, assessing the contribution of each energy source to the overall effect, and found that MW and US‐300 kHz played the main role. A modest amount of oxidant (6 mL 30% H₂O₂ per 1 L of polluted water) sufficed to achieve complete degradation within 6 h, at which time organic compounds were no longer detectable. Even if no Fenton's reagent was added, about one half of the pollutant was degraded after 3 h irradiation. Copyright © 2007 Society of Chemical Industry     

Path‐following algorithms and experiments for an unmanned surface vehicle

This paper addresses the problem of path following in two‐dimensional space for underactuated unmanned surface vehicles (USVs), defining a set of guidance laws at the kinematic level. The proposed nonlinear Lyapunov‐based control law yields convergence of the path‐following error coordinates to zero. Furthermore, the introduction of a virtual controlled degree of freedom for the target to be followed on the path removes singularity behaviors present in other guidance algorithms proposed in the literature. Some heuristic approaches are then proposed to face the problem of speed of advance adaptation based on path curvature measurement and steering action prediction. Finally a set of experimental results of all the proposed guidance laws, carried out with the Charlie USV, demonstrates the feasibility of the proposed approach and the performance improvements, in terms of precision in following the reference path and transient reduction, obtained by introducing speed adaptation heuristics. © 2009 Wiley Periodicals, Inc.     

Thermodynamic properties of amorphous silicon via tight binding simulations

An atomic-scale structure of amorphous silicon, generated by reverse Monte Carlo, has been used as a starting configuration for finite temperature molecular dynamics simulations performed by an orthogonal tight binding Hamiltonian. Structural, dynamic, elastic and electronic structure properties have been investigated in the range of temperatures up to and above the melting transition. The amorphous silicon structure undergoes a melting transition at a temperature sensibly smaller than that of the crystalline structure. Above this temperature, the structure has the same properties of an under-cooled liquid and it has a metallic behavior.     

Tunneling enhancement through a barrier surrounded by a mesoscopic cavity

We examine the conductance behavior of a cavity containing a relatively opaque transverse barrier. We show that the transmission of this structure is strongly dependent on the longitudinal position of the barrier and, in particular, has a maximum value when the barrier is located exactly in the middle of the cavity. In this specific condition the overall conductance is much greater than that associated with the barrier alone. Finally we propose a physical interpretation for the obtained numerical results.     

Kuwanon‐L as a New Allosteric HIV‐1 Integrase Inhibitor: Molecular Modeling and Biological Evaluation

HIV‐1 integrase (IN) active site inhibitors are the latest class of drugs approved for HIV treatment. The selection of IN strand‐transfer drug‐resistant HIV strains in patients supports the development of new agents that are active as allosteric IN inhibitors. Here, a docking‐based virtual screening has been applied to a small library of natural ligands to identify new allosteric IN inhibitors that target the sucrose binding pocket. From theoretical studies, kuwanon‐L emerged as the most promising binder and was thus selected for biological studies. Biochemical studies showed that kuwanon‐L is able to inhibit the HIV‐1 IN catalytic activity in the absence and in the presence of LEDGF/p75 protein, the IN dimerization, and the IN/LEDGF binding. Kuwanon‐L also inhibited HIV‐1 replication in cell cultures. Overall, docking and biochemical results suggest that kuwanon‐L binds to an allosteric binding pocket and can be considered an attractive lead for the development of new allosteric IN antiviral agents.