N-(Anilinoethyl)amide Melatonergic Ligands with Improved Water Solubility and Metabolic Stability

The MT₂-selective melatonin receptor ligand UCM765 (N-(2-((3-methoxyphenyl)(phenyl)amino)ethyl)acetamide), showed interesting sleep inducing, analgesic and anxiolytic properties in rodents, but suffers from low water solubility and modest metabolic stability. To overcome these limitations, different strategies were investigated, including modification of metabolically liable sites, introduction of hydrophilic substituents and design of more basic derivatives. Thermodynamic solubility, microsomal stability and lipophilicity of new compounds were experimentally evaluated, together with their MT₁ and MT₂ binding affinities. Introduction of a m-hydroxymethyl substituent on the phenyl ring of UCM765 and replacement of the replacement of the N,N-diphenyl-amino scaffold with a N-methyl-N-phenyl-amino one led to highly soluble compounds with good microsomal stability and receptor binding affinity. Docking studies into the receptor crystal structure provided a rationale for their binding affinity. Pharmacokinetic characterization in rats highlighted higher plasma concentrations for the N-methyl-N-phenyl-amino derivative, consistent with its improved microsomal stability and makes this compound worthy of consideration for further pharmacological investigation.     

Carbon supported nickel phosphide as efficient electrocatalyst for hydrogen and oxygen evolution reactions

Hydrogen production through water splitting is an efficient and green technology for fulfilling future energy demands. Carbon nanotubes (CNT) supported Ni₂P has been synthesized through a simpler hydrothermal method. Ni₂P/CNT has been employed as efficient electrocatalysts for hydrogen and oxygen evolution reactions in acidic and alkaline media respectively. The electrocatalyst has exhibited low overpotential of 137 and 360 mV for hydrogen and oxygen evolution reactions respectively at 10 mA cm^?2. Lower Tafel slopes, improved electrochemical active surface area, enhanced stability have also been observed. Advantages of carbon support in terms of activity and stability have been described by comparing with unsupported electrocatalyst.     

Solidification of Be-free Ni-based dental alloy

A novel, Nb- and Si-rich and Be-free Ni-based alloy was cast by two methods of investment casting and continuous casting to study the microstructure evolution during solidification and its mechanical properties. The solidification of the alloy started with the primary crystallization of FCC-γ, followed by a binary eutectic reaction, with the formation of a heterogeneous constituent: FCC-γ+G-phase, which replaced the low-melting eutectic (FCC-γ+NiBe) in the Be-bearing alloys. AlNi₆Si₃ and γ′ formed during the terminal stages of solidification by investment casting, while the formation of AlNi₆Si₃ was suppressed by continuous casting. The Scheil solidification model agreed very well with the experimental results.     

Key factors that influence the UX of a dual-player game for the cognitive stimulation and motor rehabilitation of older adults

Universal Access in the Information Society - In this work, the results of usability and user experience (UX) evaluation of a serious video game for the cognitive stimulation and motor...     

Nanoconfined mixed Li and Mg borohydrides as materials for solid state hydrogen storage

Several mixtures of LiBH₄ and Mg(BH₄)₂ borohydrides in different stoichiometric ratios (1:0, 2:1, 1:1, 1:2, 0:1), prepared by high energy ball milling, have been investigated with X-ray powder diffraction and thermal programmed desorption (TPD) volumetric analysis to test the dehydrogenation kinetics in correlation with the physical mixture composition. Afterwards mixed and unmixed borohydrides were dispersed on high specific surface area ball milled graphite by means of the solvent infiltration technique. BET and statistical thickness methods were used to characterize the support surface properties, and SEM micrographs gave a better understanding of the preparation techniques. It has been observed by TPD volumetric measurements that the confinement of the reactive borohydrides on the nanoporous supports leads to a lower dehydrogenation temperature compared to unsupported borohydrides. Moreover, a further decrease of the dehydrogenation temperature has been observed by increasing the specific surface area of the support and the pores volume and by using the prepared mixtures instead of pure materials. The dehydrogenation process seems to be favoured by the heterogeneous nucleation on the graphite surface of decomposition products or intermediate phases from melted liquid borohydrides.     

Identification of an equivalent electrical model to a natural circulation BWR core model

In this work the developing of an electrical model of the natural circulation BWR (NCBWR) from analogies between coolant pressures drops, mass flow rates, and electrical voltages and currents, is presented. The electrical model allows estimating the coolant flows in the core, which is complex in NCBWR. The core processes (nuclear-thermo-hydraulics) are modeled with the reduced model where the reactor power is calculated from a point kinetics model with one group of delay neutrons. The reactivity due to Doppler effect, void fraction and control rod was considered. The predictions in steady state were compared with behavior of the power as a function of an ESBWR core flow, showing excellent agreement. The transient behavior considers positive reactivity due to extraction of the control rods.     

FAME Production and Fatty Acid Profiles from Moist Chlorella sp. and Nannochloropsis oculata Biomass

In the present study, we investigated the production of fatty acid methyl esters (FAME) from moist Chlorella sp. and Nannochloropsis oculata biomass using a hydrolysis–esterification process. Additionally, we evaluated for the first time the fatty acid profile before and after this process. Hydrolysis of the lipid fraction was performed on a moist biomass in the presence of differing amounts of an acid catalyst in both 50 and 100 % w/w water relative to the biomass. The esterification of the crude extracts of the free fatty acids (FFA) was then investigated. The experiments show that in the presence of 50 % w/w water relative to the biomass, the hydrolysis–esterification process results in higher FFA and FAME yields. The analysis of the fatty ester profiles did not reveal any degradation of the FFA from the microalgae biomass under the hydrolysis–esterification conditions. The results were compared with both extraction–transesterification and direct transesterification processes using dry biomass. The extraction–transesterification and hydrolysis–esterification processes resulted in similar FAME yields and similar profiles of the fatty esters from dry and moist biomass materials, respectively.     

Application of linear-extended neutron diffusion equation in a semi-infinite homogeneous medium

The linear-extended neutron diffusion equation (LENDE) is the volume-averaged neutron diffusion equation (VANDE) which includes two correction terms: the first correction is related with the absorption process of the neutron and the second is a contribution to the neutron diffusion, both parameters are related to neutron effects on the interface of a heterogeneous configuration. In this work an analysis of a plane source in a semi-infinite homogeneous medium was considered to study the effects of the correction terms and the results obtained with the linear-extended neutron diffusion equation were compared against a semi-analytical benchmark for the same case. The comparison of the results demonstrate the excellent approach between the linear-extended diffusion theory and the selected benchmark, which means that the correction terms of the VANDE are physically acceptable.     

One-sided tests in generalized linear dose–response models

This paper discusses the asymptotic null distribution of three asymptotically equivalent one-sided tests in generalized linear models with separate lines. Simple forms for the correlation coefficients, which appear in the weights of the asymptotic null distribution, that is a mixture of chi-squared distributions, are given. A particular structure is proposed for the experiments in order to simplify the correlations and consequently to allow the use of several approximations developed for the weights. It is showed that the hypothesis of synergism or antagonism between two compounds may be assessed, under parallelism, by one-sided tests. Finally, as illustration, the efficiency of a standard preparation is compared with the efficiency of four test preparations under a gamma log-linear model.     

Modelling preferences in multi-objective engineering design

The multi-objective optimization strategy called physical programming (PP) provides engineers with a flexible tool to express design preferences with a ‘physical’ meaning. For each objective or specification design, preferences are established through linguistic categories to which numerical values are assigned. In PP, this mapping is made using preference functions as piecewise splines whose curvatures are calculated with an expensive and iterative algorithm. However, mapping between design parameter space and objective space may be largely non-convex and is uninfluenced by the use of gradient-based methods for solving the optimization problem. In this paper, the philosophy of the PP method has been used, but two components have been totally redesigned: a simpler algorithm is used for the construction of preference functions; and the optimizer is replaced by a genetic algorithm that avoids possible local minima problems. Three engineering applications are shown to illustrate the value of this new method.