Íon Be H+ em campo elétrico uniforme intenso

The influence of a strong external electric field in chemical bonding is not extensively studied. In this work, the behavior of the potential energy curves of the BeH+ ion in an external electric field is investigated by means of variational calculations using molecular orbitals. For simplicity we consider the case where the external field is parallel to the molecular axis, in the direction of the dipole moment, which raises the polarization of the ion. The effects on dissociation are investigated.

Química orgânica experimental: integração de teoria, experimento e análise

A new approach for teaching in basic experimental organic chemistry is presented. Experimental work goes on parallel to theoretical lectures leading to an immediate application of theoretical concepts transmitted therein. One day/week is dedicated exclusively to the organic laboratory. Reactions are proposed as problems to be solved; the student has to deduce the structure of the product on the basis of his observations, the analytical data and his mechanistical knowledge. 70 different experiments, divided in 7 thematical chapters, are presented. All experiments require the analysis and discussion of 1H and 13C NMR, IR and UV spectra. Additional questions about each reaction have to be answered by the student in his written report. Laboratory safety is garanteed by the exclusion or substitution of hazardous and toxic reagents. Microscale preparations are adopted in most cases to lower the cost of materials and the amount of waste. Recycling of many reaction products as starting materials in other experiments reduces the need for commercial reagents and allows the execution of longer reaction sequences. Only unexpensive standard laboratory equipment and simple glassware are required. All experiments include instructions for the save treatment or disposal of chemical waste.

Lastuttavuuskokeiden kartoitus ja suunnitelma m-terästen laadun testaamiseen soveltuvasta uudesta lastuttavuuspikakokeesta

Teräksen hyvällä lastuttavuudella tarkoitetaan useita eri tekijöitä, joita ovat esimerkiksi terän pitkä kestoikä, prosessin kannalta edullinen lastun muoto sekä lastuttavan kappaleen hyvä mittatarkkuus ja pinnan laatu. Materiaalin lastuttavuuden mittaamisella teräksen valmistaja pyrkii varmistumaan siitä, että asiakkaan teräkselle asettamat lastuttavuusvaatimukset täyttyisivät mahdollisimman hyvin. Tämä diplomityö on tehty Ovako Bar Oy Ab:lle Imatran terästehtaalle. Diplomityön tavoitteena oli kartoittaa olemassa olevat lastuttavuuskokeet ja laatia suunnitelma M-teräksen laadun testaamiseen soveltuvasta uudesta lastuttavuuskokeesta Ovakon yli 20 vuotta vanhan lastuttavuuskokeen eli Mq-kokeen tilalle. Mq-kokeen toimivuus on erittäin riippuvainen käytettävästä teräpalasta. Kyseisten teräpalojen valmistus on lopetettu eikä vastaavaa teräpalaa ole saatavilla. Tämän vuoksi oli tarve selvittää mahdollisuuksia korvata Mq-koe. Uuden lastuttavuuskokeen suunnittelua ohjaavat lastuttavuuskokeelle asetettavat vaatimukset, joita ovat luotettavuus, nopeus, helppokäyttöisyys ja pieni koemateriaalimäärän tarve. Tämän työn kirjallisuusosuudessa esitetyistä poraamalla, sorvaamalla ja jyrsimällä tehtävistä lastuttavuuskokeista ei löydy suoraa ratkaisua M-teräksen testaamiseen. Työn soveltavassa osuudessa esitetään kolme koevariaatiota uudeksi lastuttavuuskokeeksi. Ensimmäinen on Mq-koe täydennettynä sitä tukevilla lastuttavuuskokeilla ja siihen liittyvien ongelmien poistaminen. Toinen koevariaatio on pistosorvauskoe, ja kolmantena koekappaleen ja teräpalan väliseen resistanssiin perustuva koe. Kokeiden toimivuudesta M-teräksen testaukseen ei tarkalleen tiedetä, joten työssä on laadittu koejärjestely kokeiden toimivuuden testaamiseksi. Työn keskeisimpiä havaintoja on, että M-teräksen ja normaalin teräksen välinen ero terän kestoiässä mitattuna on kaventunut nykyaikaisten pinnoitettujen teräpalojen vuoksi. Tämä asettaa suuren haasteen uuden kokeen laadinnalle. Lyhyessä kokeellisessa osuudessa testattu pistosorvauskoe kuitenkin antoi myönteisiä tuloksia sen kehityspotentiaalista toimia M-teräksen lastuttavuuskokeena. Diplomityö antaa Ovakolle näkemyksiä erilaisista lastuttavuuskoe vaihtoehdoista ja niiden mahdollisista hyödyistä, haitoista ja mahdollisuuksista. Työssä esitettyjen vaihtoehtojen pohjalta pystytään laatimaan uusi lastuttavuuspikakoe.

Studies of Eu- and Yb-induced Reconstructions on the Si(100) Surface

This thesis presents experimental studies of rare earth (RE) metal induced structures on Si(100) surfaces. Two divalent RE metal adsorbates, Eu and Yb, are investigated on nominally flat Si(100) and on vicinal, stepped Si(100) substrates. Several experimental methods have been applied, including scanning tunneling microscopy/spectroscopy (STM/STS), low energy electron diffraction (LEED), synchrotron radiation photoelectron spectroscopy (SR-PES), Auger electron spectroscopy (AES), thermal desorption spectroscopy (TDS), and work function change measurements (Δφ). Two stages can be distinguished in the initial growth of the RE/Si interface: the formation of a two-dimensional (2D) adsorbed layer at submonolayer coverage and the growth of a three-dimensional (3D) silicide phase at higher coverage. The 2D phase is studied for both adsorbates in order to discover whether they produce common reconstructions or reconstructions common to the other RE metals. For studies of the 3D phase Yb is chosen due to its ability to crystallize in a hexagonal AlB2 type lattice, which is the structure of RE silicide nanowires, therefore allowing for the possibility of the growth of one-dimensional (1D) wires. It is found that despite their similar electronic configuration, Eu and Yb do not form similar 2D reconstructions on Si(100). Instead, a wealth of 2D structures is observed and atomic models are proposed for the 2×3-type reconstructions. In addition, adsorbate induced modifications on surface morphology and orientational symmetry are observed. The formation of the Yb silicide phase follows the Stranski-Krastanov growth mode. Nanowires with the hexagonal lattice are observed on the flat Si(100) substrate, and moreover, an unexpectedly large variety of growth directions are revealed. On the vicinal substrate the growth of the silicide phase as 3D islands and wires depends drastically on the growth conditions. The conditions under which wires with high aspect ratio and single orientation parallel to the step edges can be formed are demonstrated.

Feature selection for automatic analysis of emotional response based on nonlinear speech modeling suitable for diagnosis of Alzheimer׳s disease

Alzheimer׳s disease (AD) is the most common type of dementia among the elderly. This work is part of a larger study that aims to identify novel technologies and biomarkers or features for the early detection of AD and its degree of severity. The diagnosis is made by analyzing several biomarkers and conducting a variety of tests (although only a post-mortem examination of the patients’ brain tissue is considered to provide definitive confirmation). Non-invasive intelligent diagnosis techniques would be a very valuable diagnostic aid. This paper concerns the Automatic Analysis of Emotional Response (AAER) in spontaneous speech based on classical and new emotional speech features: Emotional Temperature (ET) and fractal dimension (FD). This is a pre-clinical study aiming to validate tests and biomarkers for future diagnostic use. The method has the great advantage of being non-invasive, low cost, and without any side effects. The AAER shows very promising results for the definition of features useful in the early diagnosis of AD.

CFD simulation of complex phenomena containing suspensions and flow throughporous media

There is an increasing reliance on computers to solve complex engineering problems. This is because computers, in addition to supporting the development and implementation of adequate and clear models, can especially minimize the financial support required. The ability of computers to perform complex calculations at high speed has enabled the creation of highly complex systems to model real-world phenomena. The complexity of the fluid dynamics problem makes it difficult or impossible to solve equations of an object in a flow exactly. Approximate solutions can be obtained by construction and measurement of prototypes placed in a flow, or by use of a numerical simulation. Since usage of prototypes can be prohibitively time-consuming and expensive, many have turned to simulations to provide insight during the engineering process. In this case the simulation setup and parameters can be altered much more easily than one could with a real-world experiment. The objective of this research work is to develop numerical models for different suspensions (fiber suspensions, blood flow through microvessels and branching geometries, and magnetic fluids), and also fluid flow through porous media. The models will have merit as a scientific tool and will also have practical application in industries. Most of the numerical simulations were done by the commercial software, Fluent, and user defined functions were added to apply a multiscale method and magnetic field. The results from simulation of fiber suspension can elucidate the physics behind the break up of a fiber floc, opening the possibility for developing a meaningful numerical model of the fiber flow. The simulation of blood movement from an arteriole through a venule via a capillary showed that the model based on VOF can successfully predict the deformation and flow of RBCs in an arteriole. Furthermore, the result corresponds to the experimental observation illustrates that the RBC is deformed during the movement. The concluding remarks presented, provide a correct methodology and a mathematical and numerical framework for the simulation of blood flows in branching. Analysis of ferrofluids simulations indicate that the magnetic Soret effect can be even higher than the conventional one and its strength depends on the strength of magnetic field, confirmed experimentally by Völker and Odenbach. It was also shown that when a magnetic field is perpendicular to the temperature gradient, there will be additional increase in the heat transfer compared to the cases where the magnetic field is parallel to the temperature gradient. In addition, the statistical evaluation (Taguchi technique) on magnetic fluids showed that the temperature and initial concentration of the magnetic phase exert the maximum and minimum contribution to the thermodiffusion, respectively. In the simulation of flow through porous media, dimensionless pressure drop was studied at different Reynolds numbers, based on pore permeability and interstitial fluid velocity. The obtained results agreed well with the correlation of Macdonald et al. (1979) for the range of actual flow Reynolds studied. Furthermore, calculated results for the dispersion coefficients in the cylinder geometry were found to be in agreement with those of Seymour and Callaghan.

Impacto de las proliferaciones de medusas en la valoración económica ambiental de las playas de Denia (Sudoeste Mediterráneo), Alicante, España

El actual incremento de medusas en las costas mediterráneas, percibido como un factor negativo en la calidad de las playas, supone un factor reductor de la demanda turística en las ubicaciones costeras, sobre todo en aquellas más afectadas por éstas proliferaciones. Debido a que la época de mayor presencia de fitoplacton disponible (principal fuente de alimento de las medusas), relacionada a la alta incidencia lumínica, coincide con la temporada alta de turismo en el verano; las notificaciones de incidencias por picaduras de medusa en esta época son frecuentes. Ejemplo de ello, es el caso de Denia (Alicante, España) donde, desde 2008, se ha detectado un considerable aumento de incidencias sanitarias a causa de picaduras de medusa, paralela a la aparición de la especie invasora de cubomedusa Carybdea marsupialis (Bordehore et al, 2011). En este estudio se ha realizado una valoración económica de la playa como un bien ambiental recreativo, mediante encuestas semi-estructuradas elaboradas por Paulo Nunes (CIESM), aplicadas a una muestra inicial de 300 individuos; y evaluado cual sería el impacto social y económico en la valoración ambiental de Denia, si las proliferaciones de medusa no se estabilizaran. Se ha estimado el valor económico del impacto sicial causado por las bioinvasiones marinas en las playas recreacionistas según Nunes and Van den Bergh (2004) y Nunes and Markandya (2008); el método que también ha sido aplicado en el mismo estudio aplicado en Israel (B. Galil, J. Gowdy and P. Nunes 2012) y en Cataluña (2013, Paulo Nunes, M. Loureiro, L. Piñol, S. Sastre, L. Voltaire). En ambos casos los resultados en el impacto económico son considerables pero menores a los esperados, al igual que en los resultados obtenidos en Denia (Alicante).

Pere Compte, mestre major de l'obra de la Seu de Tortosa.

[cat] En aquest article es documenta Pere Compte com a mestre major de la Seu de Tortosa(1490), fet que es relaciona amb la promoció del protonotari apostòlic Joan Girona i es compara amb la direcció de les obres de Pere Moragues, que tingué lloc un segle abans. D'altra banda, es proposa la hipòtesi que sigui Pere Compte el responsable del disseny de la capella del Roser de l'esmentat edifici. També s'apunta la possibilitat que fos Antoni Queralt el mestre encarregat de dirigir el dia a dia de l'obra mentre Compte n'era absent i es posa de manifest la importancia que va poder tenir aquest mestre, especialment a Tortosa i a Lleida, a l'entorn del 1500. Finalment, es dóna notícia de la presencia d'altres mestres importants a la Tortosa del canvi de segles paral·lelament a la de Compte i Queralt al front de les obres de la Seu.

Interfaces com a indústria

Brazilian chemical industries face several problems regarding Research, Development and Innovation (RDI). The present paper shows that simple cooperation between chemical industries and university laboratories can be a way to overcome some of the present difficulties. The work carried out at LABOCAT has several industrial interfaces. It involves, among other areas of RDI, the development of anti-HIV-protease (and other virus-related-protease) drugs, the establishment of new (industrial) chemical processes and the implementation of industrial (biodiesel and related) plants. A model based on the present so called RHAE programme is proposed in which, parallel to the fellowship awards of this programme, financing participation of Brazilian Agencies would cover process development.

Morphological priming in Spanish verb forms: an ERP repetition priming study

The ERP repetition priming paradigm has been shown to be sensitive to the processing differences between regular and irregular verb forms in English and German. The purpose of the present study is to extend this research to a language with a different inflectional system, Spanish. The design (delayed visual repetition priming) was adopted from our previous study on English, and the specific linguistic phenomena we examined are priming relations between different kinds of stem (or root) forms. There were two experimental conditions: In the first condition, the prime and the target shared the same stem form, e.g., "ando-andar" [I walk-to walk], whereas in the second condition, the prime contained a marked (alternated) stem, e.g., "duermo-dormir" [I sleep-to sleep]. A reduced N400 was found for unmarked (nonalternated) stems in the primed condition, whereas marked stems showed no such effect. Moreover, control conditions demonstrated that the surface form properties (i.e., the different degree of phonetic and orthographic overlap between primes and targets) do not explain the observed priming difference. The ERP priming effect for verb forms with unmarked stems in Spanish is parallel to that found for regularly inflected verb forms in English and German. We argue that effective priming is possible because prime target pairs such as "ando-andar" access the same lexical entry for their stems. By contrast, verb forms with alternated stems (e.g., "duermo") constitute separate lexical entries, and are therefore less powerful primes for their corresponding base forms.

Typen oksidien mittausepävarmuuden määrittäminen ilmanlaatumittauksille

Euroopan unionin direktiiveissä ja kansallisessa lainsäädännössä on asetettu tavoitteita, velvoitteita ja raja-arvoja ilmanlaadun mittauksille. Ilmanlaatua on seurattava, ilmanlaatumittaukset on tehtävä laadukkaasti sekä luotettavasti ja mittaustuloksista on tiedotettava väestölle. Mittausten epävarmuus on tunnettava ja sen on oltava alle 15 %, jotta epävarmuudelle asetettu kriteeri täyttyy. Tässä työssä perehdyttiin Euroopan unionin ilmastopolitiikkaan ja kansalliseen ilmanlaatua koskevaan lainsäädäntöön, käytiin läpi menetelmiä ja tapoja, joilla ilmanlaadusta tiedotetaan väestölle sekä selvitettiin ilmanlaadun mittausjärjestelmiä koskevia vaatimuksia. Ennen varsinaista mittausepävarmuuden selvittämistä käytiin läpi tutkimuksen kohteena olevan typen oksidien analysaattorin mittausperiaate ja merkittävimmät komponentit. Mittausepävarmuus määritettiin standardia SFS-EN 14211 noudattamalla. Mittausepävarmuuden selvittämiseksi analysaattorille tehtiin erilaisia sen toimintaa kuvaavia testejä Ilmatieteen laitoksen kalibrointilaboratoriossa. Saatujen tuloksien perusteella voitiin laskea analysaattorin mittausepävarmuus, joka tuntiraja-arvopitoisuudessa oli 15,5 % ja vuosiraja-arvopitoisuudessa 10,5 %. Kaikkia testejä ei voitu tehdä standardissa määrätyllä tavalla, joten tuloksiin pitää suhtautua kriittisesti. Tulosten perusteella mittausepävarmuus tuntiraja-arvopitoisuudessa ei aivan täytä direktiivin kriteeriä, mutta vuosiraja-arvopitoisuudessa kriteeri täyttyy (< 15 %).

Ordens não inteiras em cinética química

Starting from zero-, first-, and second-order integrated laws for chemical kinetics, some cases are shown which produce fractional orders. Taking the Michaelis-Menten mechanism as a first example, it is shown that substrate order can go from 1 to zero, depending on relative concentration of enzyme and substrate. Using other examples which show fractional orders higher than one and even negative (inhibition), it is shown that the presence of an equilibrium before or parallel to the rate determining step can be the reason for fractional orders, which is an indication of a more complex mechanism.

Anxiolytic-like effects of erythrinian alkaloids from erythrina suberosa

Two alkaloids, erysodine (1) and erysothrine (2) were isolated from the flowers of a Pakistani medicinal plant, Erythrina suberosa. These compounds were investigated for anxiolytic properties, and the results showed significant effect, in an acute oral treatment with 1-2, which were suspended in saline (NaCl 0.9%) plus DMSO 1%, and evaluated in 122 Swiss male mice exposed to two tests of anxiety - the elevated plus-maze (EPM) and the light/dark transition model (LDTM).

Beyond the obvious : three acts in educational drama

Researching research is not a common theme in educational drama. Nor is the educational drama process from a participant perspective a typical focus of research, at least not if the participants are disabled. Yet this is the theme of this thesis, a drama in three acts. The aim of this thesis is to describe, analyse, and discuss both the ways in which research within educational drama can be carried out and represented, and the experiences of the participants of the educational drama process. The theoretical framework that steers the research process is built up of two pairs of frames, each of them, like Russian nesting dolls, containing further frames. The first frame, relating to the outcomes of conducting research in educational drama, comprises philosophical, representational, and personal theories. As the second question asks what educational drama is, the subject related frame is built up of pedagogical, drama educational, and aesthetic theories. The study in its entirety follows the structure of the researcher’s hermeneutical learning process and takes the form of a journey starting from what is familiar, stretching towards what is new and different, and finally returning back to the beginning with a new view on what was there at the start. The thesis consists of two separate but related studies. The first, a familiar study conducted earlier, Alpha in Act I, was carried out among upper secondary school pupils. In the second, the new and therefore unfamiliar study, Omega in Act III, the participants are adult individuals who are physically and communicatively disabled. In between these two Acts an element of “Verfremdung” where the Alpha study is systematically scrutinized as the purpose is to teach and to manage the reader to think. Meta-discussions on the philosophical issues of the study are conducted throughout the text, parallel to the empirical parts. The outcomes of the first research question show that philosophical, methodical, and representational consistency is crucial for research. While this may sound like stating the obvious, this has nevertheless not always been considered fact, especially not within qualitative research. The outcomes further stress that representational issues are also to be recognized when presenting non-rational aspects of educational drama. By wording the world, through the use of visualising language, the surplus of meanings of educational drama can be, as they are within this study, made visible, sensible, and almost tangible, not only cognitively understandable. The outcomes of the second question point to the different foci of the studies, with Alpha focusing on the rationally retold experiences and Omega focusing on nonrational experiences. The outcomes expose educational drama as a learning process comprising doing, reflecting, and being. The doing aspect communicates the concrete efforts in creating a piece of theatre, while the being aspect relates experiences of being as situated, embodied and sensuous, reciprocal, empowering, aesthetic and artistic, and existential. Reflection is the twine that runs throughout the process and connects both doing and being. In summary, the outcomes could be formulated as “learning from learning how to make theatre”.

Yrityspelin Kehittäminen Ongelmalähtöisen Oppimisen Välineeksi

Työn tavoitteena on luoda poikkileikkaus ongelmalähtöiseen pedagogiikkaan ja erityisesti sen käyttömahdollisuuksiin Yrityspeli-kurssin opettamisessa oppimislähtöisen opetustavan tukena. Toisena tavoitteena on kurssin pelisovelluksen dokumentointi käyttökelpoiseksi viiteteokseksi. Lopuksi työssä tutkitaan sovelluksen keskeisten parametrien ja pelistrategioiden vaikutusta kysyntään. Ongelmalähtöistä oppimista on tutkittu lähinnä kirjallisuuteen perustuen ja täydennetty tietämystä haastattelututkimuksella. Sovelluksen rakenne on havainnoitu käyttämällä sovellusta. Sovelluksen kriittisiä ominaisuuksia on saatu selville ajamalla sovellusta tarkoitusta varten valikoidulla numeerisella aineistolla. Ongelmalähtöinen pedagogiikka osoittautui soveltuvin osin hyväksi opetusmenetelmäksi Yrityspeli-kurssilla mallintamisen ja käytännön ongelmanratkaisutaitojen kehittämisessä. Kurssin pelisovellus näyttäisi toimivan luotettavasti, tosin se ei ole rakenteeltaan erityisen joustava. Sovelluksen keskeisistä parametreista hinnan vaikutus kysyntään on huomattavasti markkinointipanosta suurempi. Testien mukaan pelissä on mahdollista pärjätä niin kustannusjohtajan kuin hintadifferoijankin strategialla.