Synthesis, optical characterization and crystal and molecular X-ray structure of a phenylazojulolidine derivative

The synthesis, spectroscopic characterization, and X-ray crystal structure of [4-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylazo)-phenyl]-methanol azodye are reported. A 37-47 nm bathochromic shift has been observed by comparison with analogous azodyes where diethylamino or dimethylamino groups act as donor moiety in agreement with the larger electronic donating properties of julolidine. The azobenzene skeleton adopts a planar trans-configuration and intra- and inter-molecular hydrogen bonds have been detected. A correlation between the spectroscopic and the molecular features has been attempted.     

A Fluid-Dynamic Traffic Model on Road Networks

We consider a mathematical model for fluid-dynamic flows on networks which is based on conservation laws. Road networks are studied as graphs composed by arcs that meet at some nodes, corresponding to junctions, which play a key-role. Indeed interactions occur at junctions and there the problem is underdetermined. The approximation of scalar conservation laws along arcs is carried out by using conservative methods, such as the classical Godunov scheme and the more recent discrete velocities kinetic schemes with the use of suitable boundary conditions at junctions. Riemann problems are solved by means of a simulation algorithm which processes each junction. We present the algorithm and its application to some simple test cases and to portions of urban network.     

Neurodegeneration in Niemann–Pick Type C Disease: An Updated Review on Pharmacological and Non-Pharmacological Approaches to Counteract Brain and Cognitive Impairment

Niemann–Pick type C (NPC) disease is an autosomal recessive storage disorder, characterized by abnormal sequestration of unesterified cholesterol in the late endo-lysosomal system of cells. Progressive neurological deterioration and the onset of symptoms, such as ataxia, seizures, cognitive decline, and severe dementia, are pathognomonic features of the disease. In addition, different pathological similarities, including degeneration of hippocampal and cortical neurons, hyperphosphorylated tau, and neurofibrillary tangle formation, have been identified between NPC disease and other neurodegenerative pathologies. However, the underlying pathophysiological mechanisms are not yet well understood, and even a real cure to counteract neurodegeneration has not been identified. Therefore, the combination of current pharmacological therapies, represented by miglustat and cyclodextrin, and non-pharmacological approaches, such as physical exercise and appropriate diet, could represent a strategy to improve the quality of life of NPC patients. Based on this evidence, in our review we focused on the neurodegenerative aspects of NPC disease, summarizing the current knowledge on the molecular and biochemical mechanisms responsible for cognitive impairment, and suggesting physical exercise and nutritional treatments as additional non-pharmacologic approaches to reduce the progression and neurodegenerative course of NPC disease.     

Diel variation of limnological parameters in a reservoir in northeastern Brazil (Boa Esperança, Maranhão/Piauí): Rainy period

The diel variation of limnological parameters, measured in Boa Esperança Reservoir, Brazil during the rainy period, exhibited small temperature gradients characterized by an increase in temperature by midday, followed by a partial homogenization of the water column in the night and the early morning. The result was an increase in the epilimnion to a depth of 17 m. The pH and dissolved oxygen concentrations showed higher values at the surface, with the occurrence of anomalies (concentrations higher than at the surface) of the latter variable in the epilimnion, probably as a result of the activity of primary producers and/or losses of oxygen to the atmosphere. The chemical forms of iron in the reservoir exhibited increasing concentrations with depth, as a result of an increase in the concentration of seston and/or accentuated reduction of the levels of oxygen in the bottom layers. The reduction of Fe³⁺ to Fe²⁺ in the bottom water layers in the reservoir, in addition to the primary production process in the epilimnion, could explain the increased phosphorus in the bottom water layer. The concentrations of nitrogen compounds did not exhibit relevant changes or a defined evolution profile, except for nitrate, which showed an outstanding increase in the bottom water layers, suggesting it could be an important nitrogen source for primary producers. Although not unequivocal, these data suggest that ecosystem instability in Boa Esperança Reservoir is the product of short diel thermal variations, and the reduced input of allochthonous materials and nutrients from local catchment. These conditions guarantee the oligotrophic status of Boa Esperança Reservoir for the present time.     

Effect of recycling the unconverted residue on a hydrocracking catalyst operating in an ebullated bed reactor

The effect of recycling the unconverted bottom on catalyst deactivation as a way to improve the hydrocracking conversion of heavy oil was analyzed using the experimental information obtained in a steady-state ebullated bed reactor. The recycle contained different amounts of partially converted (aged) material. Four sets of experiments were performed to demonstrate that after five passes through the reactor, the reactivity of the unconverted material decreased by 15% and its impact on catalyst deactivation increased by 30%. The results indicated that the higher the conversion, the lower is the reactivity and the higher is the catalyst deactivation. The production of an insoluble and refractory to convert material imposes a limit on the recycling benefit.     

Amino acid profile and enhancement of the enzymatic hydrolysis of fermented shrimp carotenoproteins

Amino acid profiles of carotenoproteins extracted from fermented and non-fermented shrimp waste were analysed. Fermented carotenoproteins were hydrolysed with a protease and a combination of a protease and a lipase. Essential amino acids in fermented and non-fermented carotenoproteins were 49% and 47%, respectively, with respect to total amino acids. The highest carotenoprotein hydrolysis (900 and 66 mg/g soluble protein and total carotenoids, respectively) was obtained by a combination of 15 proteolytic units together with 10 lipolytic units. The most efficient treatment using only protease was obtained with 15 proteolytic units (852 and 48 mg/g of soluble protein and total carotenoids, respectively). A relatively protein-free form of astaxanthin derived from shrimp waste carotenoproteins may be of interest for applications in salmon culture, and in natural health products and cosmetics. Furthermore, fermented carotenoproteins could be used in human and animal diets due to their high essential amino acids concentration.     

Implicit–explicit numerical schemes for jump–diffusion processes

Abstract We study the numerical approximation of solutions for parabolic integro-differential equations (PIDE). Similar models arise in option pricing, to generalize the Black–Scholes equation, when the processes which generate the underlying stock returns may contain both a continuous part and jumps. Due to the non-local nature of the integral term, unconditionally stable implicit difference schemes are not practically feasible. Here we propose using implicit-explicit (IMEX) Runge-Kutta methods for the time integration to solve the integral term explicitly, giving higher-order accuracy schemes under weak stability time-step restrictions. Numerical tests are presented to show the computational efficiency of the approximation. Mathematics Subject Classification (1991): Primary: 65M12; Secondary: 35K55, 49L25     

Characterization of anodic silicon oxide films grown in room temperature ionic liquids

The electroformation of silicon oxide was performed in two room temperature ionic liquids (RTIL), 1-butyl-3-methyl-imidazolium bis(trifluoromethane sulfonyl) imide (BMITFSI) and N-n-butyl-N-methylpiperidinium bis(trifluoromethane sulfonyl) imide (BMPTFSI). This phenomenon was studied by electrochemical techniques and it was observed that the oxide growth follows a high-field mechanism. X-ray Photoelectron Spectroscopy experiments have shown that a non-stoichiometric oxide film was formed, related to the low water content present in both RTILs (<30 ppm). The roughness values obtained by using AFM technique of the silicon surface after etching with HF was 1.5 nm (RMS). The electrochemical impedance spectroscopy at low frequencies range was interpreted as a resistance in parallel with a CPE element, the capacitance obtained was associated with the dielectric nature of the oxide formed and the resistance was interpreted considering the chemical dissolution of the oxide by the presence of the TFSI anion. The CPE element was associated with the surface roughness and the very thin oxide film obtained.     

Surface Functionalization with Phosphazenes: Part 6. Modification of Polyethylene-Co-Polyvinylalcohol Copolymer Surface Plates with Fluorinated Alcohols and Azobenzene Derivatives Using Chlorinated Phosphazenes as Coupling Agents

In this paper we describe a two-step surface modification process of poly(ethylene-co-vinyl alcohol) by exploiting hexachlorocyclophosphazene and poly(dichlorophosphazene) as coupling agents. Part of the P–Cl groups of the chlorophosphazenes is first reacted with the surface hydroxylic groups of the substrate to form covalent P–O–C bonds, the remaining being utilized for successive substitution reactions with different nucleophiles (i.e. 2,2,2-trifluoroethanol, heptadecafluorononanol and 4-hydroxyazobenzene). Modified surface properties, such as hydrophobicity improvement with fluorinated alcohols and photochromic features with the azobenzene derivative, were verified by contact angle measurements and UV–Vis spectroscopy, respectively, while changes in surface composition were demonstrated through XPS spectroscopy.