On the temperature dependence of the rate coefficient of formation of C2+ from C + CH+

[EN] We carry out quasi-classical trajectory caculations for theC + CH+ → C2+ + H reaction on an ad hoc computed high-level ab initio potential energy surface. Thermal rate coefficients at the temperatures of relevance in cold interstellar clouds are derived and compared with the assumed, temperature-independent estimates publicly available in kinetic databases KIDA and UDfA. For a temperature of 10 K the database value overestimates by a factor of two the one obtained by us (thus improperly enhancing the destruction route of CH+ in astrochemical kinetic models) which is seen to double in the temperature range 5–300 K with a sharp increase in the first 50 K. The computed values are fitted via the popular Arrhenius–Kooij formula and best-fitting parameters α = 1:32 X 10-9 cm3s-1, β = 0:10 and γ = 2:19 K to be included in the online mentioned databases are provided. Further investigation shows that the temperature dependence of the thermal rate coefficient better conforms to the recently proposed so-called ‘deformed Arrhenius’ law by Aquilanti and Mundim.

Finite time extinction for nonlinear fractional evolution equations and related properties

The finite time extinction phenomenon (the solution reaches an equilibrium after a finite time) is peculiar to certain nonlinear problems whose solutions exhibit an asymptotic behavior entirely different from the typical behavior of solutions associated to linear problems. The main goal of this work is twofold. Firstly, we extend some of the results known in the literature to the case in which the ordinary time derivative is considered jointly with a fractional time differentiation. Secondly, we consider the limit case when only the fractional derivative remains. The latter is the most extraordinary case, since we prove that the finite time extinction phenomenon still appears, even with a non-smooth profile near the extinction time. Some concrete examples of quasi-linear partial differential operators are proposed. Our results can also be applied in the framework of suitable nonlinear Volterra integro-differential equations.

Finite time extinction for nonlinear fractional evolution equations and related properties.

The finite time extinction phenomenon (the solution reaches an equilibrium after a finite time) is peculiar to certain nonlinear problems whose solutions exhibit an asymptotic behavior entirely different from the typical behavior of solutions associated to linear problems. The main goal of this work is twofold. Firstly, we extend some of the results known in the literature to the case in which the ordinary time derivative is considered jointly with a fractional time differentiation. Secondly, we consider the limit case when only the fractional derivative remains. The latter is the most extraordinary case, since we prove that the finite time extinction phenomenon still appears, even with a non-smooth profile near the extinction time. Some concrete examples of quasi-linear partial differential operators are proposed. Our results can also be applied in the framework of suitable nonlinear Volterra integro-differential equations.

Estudo da permeação em membranas quitosana

This study proposes to do a study on the mathematical modeling of permeation of films based on chitosan. To conduct the study were obtained membranes with various compositions: a virtually pure membrane-based chitosan; one of chitosan associated with poly (ethylene oxide (PEO). The membranes of pure chitosan were treated with plasma in atmospheres of oxygen, argon and methane. The various types of films were characterized as to its permeation regarding sufamerazina sodium. In the process of mathematical modeling were compared the standard method of obtaining the coefficient of permeation recital straight down the slope of the plot obtained by extinction / time with a the integration process of numerical permeability rate will be calculated from the spectroscopy UV

Evaluation of the conductor-like screening model for real solvents for the prediction of the water activity coefficient at infinite dilution in ionic liquids

Ionic liquids (ILs) have attracted great attention, from both industry and academia, as alternative fluids for very different types of applications. The large number of cations and anions allow a wide range of physical and chemical characteristics to be designed. However, the exhaustive measurement of all these systems is impractical, thus requiring the use of a predictive model for their study. In this work, the predictive capability of the conductor-like screening model for real solvents (COSMO-RS), a model based on unimolecular quantum chemistry calculations, was evaluated for the prediction water activity coefficient at infinite dilution, gamma(infinity)(w), in several classes of ILs. A critical evaluation of the experimental and predicted data using COSMO-RS was carried out. The global average relative deviation was found to be 27.2%, indicating that the model presents a satisfactory prediction ability to estimate gamma(infinity)(w) in a broad range of ILs. The results also showed that the basicity of the ILs anions plays an important role in their interaction with water, and it considerably determines the enthalpic behavior of the binary mixtures composed by Its and water. Concerning the cation effect, it is possible to state that generally gamma(infinity)(w) increases with the cation size, but it is shown that the cation-anion interaction strength is also important and is strongly correlated to the anion ability to interact with water. The results here reported are relevant in the understanding of ILs-water interactions and the impact of the various structural features of its on the gamma(infinity)(w) as these allow the development of guidelines for the choice of the most suitable lLs with enhanced interaction with water.

Determination of the Side-Reaction Coefficient of Desferrioxamine B in Trace-Metal-Free Seawater

Partial funding for open access provided by the UMD Libraries' Open Access Publishing Fund.

What Is a Firm’s Life Expectancy? Empirical Evidence in the Context of Portuguese Companies

It is a fact that the uncertainty about a firm’s future has to be measured and incorporated into a company’s valuation throughout the explicit analysis period – in the continuing or terminal value within valuation models. One of the concerns that can influence the continuing value of enterprises, which is not explicitly considered in traditional valuation models, is a firm’s average life expectancy. Although the literature has studied the life cycle of a firm, there is still a considerable lack of references on this topic. If we ignore the period during which a company has the ability to produce future cash flows, the valuations can fall into irreversible errors, leading to results markedly different from market values. This paper aims to provide a contribution in this area. Its main objective is to construct a mortality table for non-listed Portuguese enterprises, showing that the use of a terminal value through a mathematical expression of perpetuity of free cash flows is not adequate. We provide the use of an appropriate coefficient to perceive the number of years in which the company will continue to operate until its theoretical extinction. If well addressed regarding valuation models, this issue can be used to reduce or even to eliminate one of the main problems that cause distortions in contemporary enterprise valuation models: the premise of an enterprise’s unlimited existence in time. Besides studying the companies involved in it, from their existence to their demise, our study intends to push knowledge forward by providing a consistent life and mortality expectancy table for each age of the company, presenting models with an explicitly and different survival rate for each year. Moreover, we show that, after reaching a certain age, firms can reinvent their business, acquiring maturity and consequently postponing their mortality through an additional life period.

Status and the potential for extinction of the largetooth sawfish Pristis pristis in the Atlantic Ocean

1. Sawfishes currently are among the most threatened elasmobranchs in the world. Only two species inhabit Atlantic waters: the largetooth sawfish (Pristis pristis) and the smalltooth sawfish (Pristis pectinata), both having suffered dramatic declines in their ranges. 2. The goal of this study was to evaluate the status of P. pristis in the Atlantic, and estimate local extinction risk based on historical and recent occurrence records. In order to accomplish these goals, a thorough search for historical and recent records of P. pristis in the Atlantic was conducted, by reviewing scientific and popular literature, museum specimens, and contacting regional scientists from the species’ historical range. 3. In total, 801 P. pristis records (1830–2009) document its occurrence in four major regions in the Atlantic: USA (n =41), Mexico and Central America (n =535), South America (n=162), and West Africa (n =48). Locality data were not available for 15 records. 4. Historical abundance centres were the Colorado-San Juan River system in Nicaragua and Costa Rica (and secondarily Lake Izabal of Guatemala), the Amazon estuary, and coastal Guinea-Bissau. 5. Currently, the species faces drastic depletion throughout its entire former range and centres of abundance. It appears to have been extirpated from several areas. The probability of extinction was highest in the USA, northern South America (Colombia to Guyane), and southern West Africa (Cameroon to Namibia). 6. Currently, the Amazon estuary appears to have the highest remaining abundance of P. pristis in the Atlantic, followed by the Colorado–San Juan River system in Nicaragua and Costa Rica and the Bissagos Archipelago in Guinea Bissau. Therefore the protection of these populations is crucial for the preservation and recovery of the species.

LOOKING INTO CALIPSO CLIMATOLOGICAL PRODUCTS: EVALUATION AND SUGGESTIONS FROM EARLINET

CALIPSO (Cloud-Aerosol Lidar and Pathfinder Satellite Observations) Level 3 (CL3) data were compared against EARLINET (European Aerosol Research Lidar Network) monthly averages obtained by profiles during satellite overpasses. Data from EARLINET stations of Évora, Granada, Leipzig, Naples and Potenza, equipped with advanced multi-wavelength Raman lidars were used for this study. Owing to spatial and temporal differences, we reproduced the CL3 filtering rubric onto the CALIPSO Level 2 data. The CALIPSO monthly mean profiles following this approach are called CALIPSO Level 3*, CL3*. This offers the possibility to achieve direct comparable datasets. In respect to CL3 data, the agreement typically improved, in particular above the areas directly affected by the anthropogenic activities within the planetary boundary layer. However in most of the cases a subtle CALIPSO underestimation was observed with an average bias of 0.03 km-1. We investigated the backscatter coefficient applying the same screening criteria, where the mean relative difference in respect to the extinction comparison improved from 15.2% to 11.4%. Lastly, the typing capabilities of CALIPSO were assessed outlining the importance of the correct aerosol type (and associated lidar ratio value) assessment to the CALIPSO aerosol properties retrieval.

Maleku: A Culture in Danger of Extinction

This paper is about the Maleku, one of the indigenous languages that is still alive in the country; though the linguistic community that uses it, composed of less than 400 people, tends to reduce rapidly. There is a high risk that in the near future this language will disappear. This paper is the result of a research project that proposes the construction and implementation of learning strategies that would help to include the customs, traditions and the native language of the Malekus in the schools, to strengthen the identity and culture of this Costa Rican indigenous population.The research project includes a brief overview of the history and problems of the indigenous Maleku population, and an analysis on the importance of the language and oral expression. It also makes a review of how the indigenous languages in Costa Rican schools are currently taught. It later includes a diagnosis of the current situation of language from the perspective of different members of the Maleku community. This diagnosis is based on the research conducted and it will facilitate focusing on the integration of the Maleku and rural curriculums. Finally, there are some reflections about the bilingual intercultural education.

Development and optimization of fibre-shaped dye-sensitized solar cells employing an innovative fully organic sensitizer

The quality of human life depends to a large degree on the availability of energy. In recent years, photovoltaic technology has been growing extraordinarily as a suitable source of energy, as a consequence of the increasing concern over the impact of fossil fuels on climate change. Developing affordable and highly efficiently photovoltaic technologies is the ultimate goal in this direction. Dye-sensitized solar cells (DSSCs) offer an efficient and easily implementing technology for future energy supply. Compared to conventional silicon solar cells, they provide comparable power conversion efficiency at low material and manufacturing costs. In addition, DSSCs are able to harvest low-intensity light in diffuse illumination conditions and then represent one of the most promising alternatives to the traditional photovoltaic technology, even more when trying to move towards flexible and transparent portable devices. Among these, considering the increasing demand of modern electronics for small, portable and wearable integrated optoelectronic devices, Fibre Dye-Sensitized Solar Cells (FDSSCs) have gained increasing interest as suitable energy provision systems for the development of the next-generation of smart products, namely “electronic textiles” or “e-textiles”. In this thesis, several key parameters towards the optimization of FDSSCs based on inexpensive and abundant TiO2 as photoanode and a new innovative fully organic sensitizer were studied. In particular, the effect of various FDSSCs components on the device properties pertaining to the cell architecture in terms of photoanode oxide layer thickness, electrolytic system, cell length and electrodes substrates were examined. The photovoltaic performances of the as obtained FDSSCs were fully characterized. Finally, the metal part of the devices (wire substrate) was substituted with substrates suitable for the textile industry as a fundamental step towards commercial exploitation.

A New Extraction Approach To Correct The Effect Of Apparent Increase In The Secoiridoid Content After Filtration Of Virgin Olive Oil.

In the current study, a new approach has been developed for correcting the effect that moisture reduction after virgin olive oil (VOO) filtration exerts on the apparent increase of the secoiridoid content by using an internal standard during extraction. Firstly, two main Spanish varieties (Picual and Hojiblanca) were submitted to industrial filtration of VOOs. Afterwards, the moisture content was determined in unfiltered and filtered VOOs, and liquid-liquid extraction of phenolic compounds was performed using different internal standards. The resulting extracts were analyzed by HPLC-ESI-TOF/MS, in order to gain maximum information concerning the phenolic profiles of the samples under study. The reduction effect of filtration on the moisture content, phenolic alcohols, and flavones was confirmed at the industrial scale. Oleuropein was chosen as internal standard and, for the first time, the apparent increase of secoiridoids in filtered VOO was corrected, using a correction coefficient (Cc) calculated from the variation of internal standard area in filtered and unfiltered VOO during extraction. This approach gave the real concentration of secoiridoids in filtered VOO, and clarified the effect of the filtration step on the phenolic fraction. This finding is of great importance for future studies that seek to quantify phenolic compounds in VOOs.

A Highly Improved Method For Sensitive Determination Of Amitriptyline In Pharmaceutical Formulations Using An Unmodified Carbon Nanotube Electrode In The Presence Of Sulfuric Acid.

The present paper describes a novel, simple and reliable differential pulse voltammetric method for determining amitriptyline (AMT) in pharmaceutical formulations. It has been described for many authors that this antidepressant is electrochemically inactive at carbon electrodes. However, the procedure proposed herein consisted in electrochemically oxidizing AMT at an unmodified carbon nanotube paste electrode in the presence of 0.1 mol L(-1) sulfuric acid used as electrolyte. At such concentration, the acid facilitated the AMT electroxidation through one-electron transfer at 1.33 V vs. Ag/AgCl, as observed by the augmentation of peak current. Concerning optimized conditions (modulation time 5 ms, scan rate 90 mV s(-1), and pulse amplitude 120 mV) a linear calibration curve was constructed in the range of 0.0-30.0 μmol L(-1), with a correlation coefficient of 0.9991 and a limit of detection of 1.61 μmol L(-1). The procedure was successfully validated for intra- and inter-day precision and accuracy. Moreover, its feasibility was assessed through analysis of commercial pharmaceutical formulations and it has been compared to the UV-vis spectrophotometric method used as standard analytical technique recommended by the Brazilian Pharmacopoeia.