The use of Rich and Suter diagrams to explain the electron configurations of transition elements

Rich and Suter diagrams are a very useful tool to explain the electron configurations of all transition elements, and in particular, the s¹ and s0 configurations of the elements Cr, Cu, Nb, Mo, Ru, Rh, Pd, Ag, and Pt. The application of these diagrams to the inner transition elements also explains the electron configurations of lanthanoids and actinoids, except for Ce, Pa, U, Np, and Cm, whose electron configurations are indeed very special because they are a mixture of several configurations.

Measuring Brand Equity and Analyzing Its Relationship with Key Marketing Mix Elements

The aim of this paper is to analyze the effect of price and advertising on brand equity. The dimensionality of brand equity is thoroughly examined, and the effect price, price deals, perceived advertising spending and advertising appeal have on the dimensions of brand equity are analyzed using multiple regression analysis as well as other supporting analyses. Price and advertising are found to be of great importance to brand equity. Arguably the most influential finding is the strong positive effect low prices – an integral brand element – have on the case company brand equity, even though a negative effect was hypothesized based on prior research. The results also support separating advertising appeal from perceived advertising spending, as well as linking service quality as part of the overall perceived quality in the context of service-intensive firms.

Spectroscopic analysis of C80 doping with group III and group V elements using semiempirical PM3 molecular modelling technique

Semiempirical calculations at the level of PM3 of theory were carried out to study the structural and electronic properties of C80 and some of its doped derivatives with the elements of group III and V at the level of PM3 of theory. We have selected these elements to be substituted in the fullerene-C80 cage in order to show the effect of such structural change on the electronic properties of the molecules studied. The theoretical IR spectra, some of physical and chemical properties of the molecules studied are obtained and discussed.

Evaluation of group electronegativities and hardness (softness) of group 14 elements and containing functional groups through density functional theory and correlation with NMR spectra data

Quantum Chemical calculations for group 14 elements of Periodic Table (C, Si, Ge, Sn, Pb) and their functional groups have been carried out using Density Functional Theory (DFT) based reactivity descriptors such as group electronegativities, hardness and softness. DFT calculations were performed for a large series of tetracoordinated Sn compounds of the CH3SnRR'X type, where X is a halogen and R and R' are alkyl, halogenated alkyl, alkoxy, or alkyl thio groups. The results were interpreted in terms of calculated electronegativity and hardness of the SnRR'X groups, applying a methodology previously developed by Geerlings and coworkers (J. Phys. Chem. 1993, 97, 1826). These calculations allowed to see the regularities concerning the influence of the nature of organic groups RR' and inorganic group X on electronegativities and hardness of the SnRR'X groups; in this case, it was found a very good correlation between the electronegativity of the fragment and experimental 119Sn chemical shifts, a property that sensitively reflects the change in the valence electronic structure of molecules. This work was complemented with the study of some compounds of the EX and ER types, where E= C, Si, Ge, Sn and R= CH3, H, which was performed to study the influence that the central atom has on the electronegativity and hardness of molecules, or whether these properties are mainly affected for the type of ligand bound to the central atom. All these calculations were performed using the B3PW91 functional together with the 6-311++G** basis set level for H, C, Si, Ge, F, Cl and Br atoms and the 3-21G for Sn and I atoms.

Innovations of ageing and societal transition : Dynamics of change of the socio-technical regime of ageing

The purpose of this dissertation is to examine the dynamics of the socio-technical system in the field of ageing. The study stems from the notion that the ageing of the population as a powerful megatrend has wide societal effects, and is not just a matter for the social and health sector. The central topic in the study is change: not only the age structures and structures of society are changing, but also at the same time there is constant development, for instance, in technologies, infrastructures and cultural perceptions. The changing concept of innovation has widened the understanding of innovations related to ageing from medical and assistive technological innovations to service and social innovations, as well as systemic innovations at different levels, which means the intertwined and co-evolutionary change in technologies, structures, services and thinking models. By the same token, the perceptions of older people and old age are becoming more multi-faceted: old age is no longer equated to illnesses and decline, but visions of active ageing and a third age have emerged, which are framed by choices, opportunities, resources and consumption in later life. The research task in this study is to open up the processes and mechanisms of change in the field of ageing, which are studied as a complex, multi-level and interrelated socio-technical system. The question is about co-effective elements consisting of macro-level landscape changes, the existing socio-technical regime (the rule system, practices and structures) and bottom-up niche-innovations. Societal transitions do not account for the things inside the regime alone, or for the long-term changes in the landscape, nor for the radical innovations, but for the interplay between all these levels. The research problem is studied through five research articles, which offer micro-level case studies to macro-level phenomenon. Each of the articles focus on different aspects related to ageing and change, and utilise various datasets. The framework of this study leans on the studies of socio-technical systems and multi-level perspective on transitions mainly developed by Frank Geels. Essential factors in transition from one socio-technological regime to another are the co-evolutionary processes between landscape changes, regime level and experimental niches. Landscape level changes, like the ageing of the population, destabilise the regime in the forms of coming pressures. This destabilization offers windows for opportunity to niche-innovations outside or at fringe of the regime, which, through their breakthrough, accelerate the transition process. However, the change is not easy because of various kinds of lock-ins and inertia, which tend to maintain the stability of the regime. In this dissertation, a constructionist approach of society is applied leaning mainly to the ideas of Anthony Giddens’ theory of structuration, with the dual nature of structures. The change is taking place in the interplay between actors and structures: structures shape people’s practices, but at the same time these practices constitute and reproduce social systems. Technology and other material aspects, as part of socio-technical systems, and the use of them, also take part in the structuration process. The findings of the study point out that co-evolutionary and co-effective relationships between economic, cultural, technological and institutional fields, as well as relationships between landscape changes, changes in the local and regime-level practices and rule systems, are a very complex and multi-level dynamic socio-technical phenomenon. At the landscape level of ageing, which creates the pressures and triggers to the regime change, there are three remarkable megatrends: demographic change, changes in the global economy and the development of technologies. These exert pressures to the socio-technical regime, which as a rule system is experiencing changes in the form of new markets and consumer habits, new ways of perceiving ageing, new models of organising the health care and other services and as new ways of considering innovation and innovativeness. There are also inner dynamics in the relationships between these aspects within the regime. These are interrelated and coconstructed: the prevailing perceptions of ageing and innovation, for instance, reflect the ageing policies, innovation policies, societal structures, organising models, technology and scientific discussion, and vice versa. Technology is part of the inner dynamics of the sociotechnological regime. Physical properties of the artefacts set limitations and opportunities with regard to their functions and uses. The use of and discussion about technology, contributes producing and reproducing the perceptions of old age. For societal transition, micro-level changes are also needed, in form of niche-innovations, for instance new services, organisational models or new technologies, Regimes, as stabilitystriven systems, tend to generate incremental innovations, but radically new innovations are generated in experimental niches protected from ‘normal’ market selection. The windows of opportunity for radical novelties may be opened if the circumstances are favourable for instance by tensions in the socio-technical regime affected by landscape level changes. This dissertation indicates that a change is taking place, firstly, in the dynamic interactionbetween levels, as a result of purposive action and governance to some extent. Breaking the inertia and using the window of opportunity for change and innovation offered by dynamics between levels, presupposes the actors’ special capabilities and actions such as dynamic capabilities and distance management. Secondly, the change is taking place the socio-technological negotiations inside the regime: interaction between technological and social, which is embodied in the use of technology. The use of technology includes small-level contextual scripts that also participate in forming broader societal scripts (for instance defining old age at the society level), which in their turn affect the formation of policies for innovation and ageing. Thirdly, the change is taking place by the means of active formation of the multi-actor innovation networks, where the role of distance management is crucial to facilitate the communication between actors coming from different backgrounds as well as to help the niches born outside the regime to utilise the window of opportunity offered by regime destabilisation. This dissertation has both theoretical and practical contributions. This study participates in the discussion of action-oriented view on transition by opening up of the socio-technological, coevolutionary processes of the multi-faceted phenomenon of ageing, which has lacked systematic analyses. The focus of this study, however, is not on the large-scale coordination and governance, but rather on opening up the incremental elements and structuration processes, which contribute to the transition little by little, and which can be affected to. This increases the practical importance of this dissertation, by highlighting the importance of very tiny, everyday elements in the change processes in the long run.

Surface chemistry of fibres and vessel elements in chemical and recycled pulps

Den viktigaste råvaran i papperstillverkning är pappersmassa. Massan innehåller (ved)fibrer men också finmaterial och andra typers (ved)celler, så som kärlceller. Hur dessa komponenter beter sig under arkformationen i pappersmaskinen eller hur de bidrar till egenskaperna hos det färdiga pappret avgörs till stor del av massakomponenternas ytkemiska sammansättning, fysiska struktur och mängden joniserbara grupper på ytan. I denna avhandling studerades ytegenskaperna hos fraktionerade kemiska massor och returfibermassor med avancerade analystekniker. Rester av avfärgningskemikalier identifierades på både returfibrer och på kärlceller. Dessa kan påverka arkformationen och arkstyrkan på returfiberpapper. Kärlcellernas cellväggsstruktur visade sig skilja sig från fibrernas. Resultaten kan främja utvecklingen av returfiberprosessen och användningen av kärlcellsrika lövvedsmassor.

Numerical evaluation of the modulus of longitudinal elasticity in structural round timber elements of the Eucalyptus genus

Currently, the standards that deal with the determination of the properties of rigidity and strength for structural round timber elements do not take in consideration in their calculations and mathematical models the influence of the existing irregularities in the geometry of these elements. This study has as objective to determine the effective value of the modulus of longitudinal elasticity for structural round timber pieces of the Eucalyptus citriodora genus by a technique of optimization allied to the Inverse Analysis Method, to the Finite Element Method and the Least Square Method.

Estudo morfológico macro e microscópico da gastrite cáustica em ratos

OBJETIVOS: A ingestão de álcalis provoca graves lesões no tubo digestório alto. A comercialização de substâncias cáusticas em forma líquida facilita o seu uso com intenções suicidas e torna as afecções por elas provocadas relativamente comuns. Nesse sentido, o objetivo do presente trabalho foi avaliar as conseqüências morfológicas da infusão de substância cáustica no estômago murino. MÉTODO: Foram estudados 20 ratos Wistar adultos, de ambos os sexos. Após jejum alimentar de 12 horas, instilou-se 1ml de hidróxido de sódio (NaOH) a 5% através de cateter orogástrico. Os ratos foram divididos aleatoriamente em quatro grupos (n=5), de acordo com o tempo de acompanhamento: 24 horas, sete dias, 30 dias e 90 dias, respectivamente. Decorrido o tempo de acompanhamento, os ratos foram mortos e seus estômagos foram avaliados macro e microscopicamente. RESULTADOS: Após 24 horas, os estômagos estavam dilatados e com aderências ao fígado, omentos e pâncreas. Suas mucosa e submucosa apresentavam áreas de necrose de coagulação do corpo e do antro entremeada por intensa infiltração bacteriana. Após sete dias, os estômagos permaneciam dilatados e mantendo o mesmo padrão necrótico anterior, porém sem os focos sépticos. Nos grupos de um e três meses, a cavidade abdominal teve aspecto normal. Os estômagos apresentavam consistência endurecida e com proliferação fibrovascular. CONCLUSÃO: Os animais que sobreviveram à necrose e à intensa infiltração bacteriana da primeira semana desenvolveram reparação progressiva de seus estômagos, porém acompanhada de complicações decorrentes da fibrose cicatricial.

Avaliação macro e microscópica dos testículos em modelo experimental de criptorquidia pela secção do Gubernaculum testis em ratos

OBJETIVO: Verificar o efeito da secção distal do Gubernaculum testis como modelo experimental de criptorquidia unilateral em ratos. MÉTODO: Foram usados 36 ratos machos de linhagem Wistar-EPM, distribuídos em dois grupos: A (Grupo Experimento: animais submetidos à secção distal do gubernaculum direito) e B (Grupo Controle: operação simulada do lado direito). Cada grupo foi subdividido em 3 subgrupos com 6 animais cada : A-1, A-2 e A-3: B-1, B-2 e B-3. Os animais dos subgrupos A-1 e B-1 foram re-operados após 30 dias. Os animais dos subgrupos A-2 e B-2 foram mortos após 50 dias e os dos subgrupos A-3 e B-3 após 90 dias. RESULTADOS: Houve diferenças quanto ao peso, tamanho e posição do testículo afetado em relação ao lado controle,as quais só foram evidenciadas a partir do subgrupo A-2 (50 dias).O testículo não foi palpável na bolsa testicular em 88,9% dos casos e não houve óbito dos animais. Foram observadas alterações da maturidade celular, atrofia tubular, diminuição do diâmetro dos túbulos e ausência de espermatozóides na luz tubular no grupo A e presença de normalidade histológica para a idade nos animais do grupo B. CONCLUSÃO: O modelo experimental de produção de criptorquidia experimental unilateral pela secção do Gubernaculum testis em ratos foi eficaz e prático.

Análises macro e microscópicas de enxertos cutâneos por semeadura após laserterapia de baixa intensidade

OBJETIVO: observar se a laserterapia de baixa intensidade acelera o processo inflamatório, a cicatrização e epitelização de enxertos cutâneos por semeadura. MÉTODOS: vinte ratos foram submetidos a esta técnica de enxertia e divididos em dois grupos iguais, um tratado com laser e outro controle. RESULTADOS: houve menor tempo de reação inflamatória, maior velocidade de cicatrização, epitelização e queratinização nos animais tratados com laser em relação aos não tratados. CONCLUSÃO: a laserterapia de baixa intensidade é efetiva no auxílio ao tratamento de enxertos por semeadura.

Characterization of fiber and vessel elements in pulp suspension images

The thesis is related to the topic of image-based characterization of fibers in pulp suspension during the papermaking process. Papermaking industry is focusing on process control optimization and automatization, which makes it possible to manufacture highquality products in a resource-efficient way. Being a part of the process control, pulp suspension analysis allows to predict and modify properties of the end product. This work is a part of the tree species identification task and focuses on analysis of fiber parameters in the pulp suspension at the wet stage of paper production. The existing machine vision methods for pulp characterization were investigated, and a method exploiting direction sensitive filtering, non-maximum suppression, hysteresis thresholding, tensor voting, and curve extraction from tensor maps was developed. Application of the method to the microscopic grayscale pulp images made it possible to detect curves corresponding to fibers in the pulp image and to compute their morphological characteristics. Performance of the method was evaluated based on the manually produced ground truth data. An accuracy of fiber characteristics estimation, including length, width, and curvature, for the acacia pulp images was found to be 84, 85, and 60% correspondingly.

Morfologia macro e microscópica das papilas linguais do quati (Nasua nasua)

O quati (Nasua nasua) é um animal que pertence à Família Procyonidae. Foram utilizados três animais ortotanasiados, de ambos os sexos, provenientes do Criatório Científico de Animais Silvestres, Centro Universitário Fundação de Ensino Octávio Bastos (Cecrimpas, Unifeob) autorizado pelo IBAMA (Proc.02027.003731/04-76). Para a análise macroscópica, as línguas foram retiradas, analisadas e foto-documentadas. Para análise microscópica, as línguas foram processadas rotineiramente pela técnica de microscopia eletrônica de varredura e inclusão em Paraplast; pela técnica de microscopia de luz os fragmentos foram cortados em micrótomo, com espessura média de 5mm e corados em HE e Picrosírius com fundo de hematoxilina. Os resultados macroscópicos e microscópicos mostram que a língua do quati apresenta papilas filiformes, fungiformes, valadas e cônicas sendo estas distribuídas nas regiões rostralis, medialis e caudalis. Histologicamente, a língua do quati é revestida por um epitélio pavimentoso estratificado queratinizado apresentando camada basal, espinhosa, granulosa e córnea com fibras de músculos estriados esqueléticos longitudinais e transversais e diversas glândulas. De acordo com os resultados pode-se concluir que a língua do quati possui características macroscópicas e microscópicas semelhantes aos canídeos, tendo como diferença o número de papilas valadas e o grau de queratinização.

Geometric nonlinear dynamic analysis of plates and shells using eight-node hexahedral finite elements with reduced integration

This work presents a geometric nonlinear dynamic analysis of plates and shells using eight-node hexahedral isoparametric elements. The main features of the present formulation are: (a) the element matrices are obtained using reduced integrations with hourglass control; (b) an explicit Taylor-Galerkin scheme is used to carry out the dynamic analysis, solving the corresponding equations of motion in terms of velocity components; (c) the Truesdell stress rate tensor is used; (d) the vector processor facilities existing in modern supercomputers were used. The results obtained are comparable with previous solutions in terms of accuracy and computational performance.