Studies of Protein-Protein and Protein-Water Interactions by Small Angle X-Ray Scattering, Terahertz Spectroscopy, ASMOS, And Computer Simulation

The protein folding problem has been one of the most challenging subjects in biological physics due to its complexity. Energy landscape theory based on statistical mechanics provides a thermodynamic interpretation of the protein folding process. We have been working to answer fundamental questions about protein-protein and protein-water interactions, which are very important for describing the energy landscape surface of proteins correctly. At first, we present a new method for computing protein-protein interaction potentials of solvated proteins directly from SAXS data. An ensemble of proteins was modeled by Metropolis Monte Carlo and Molecular Dynamics simulations, and the global X-ray scattering of the whole model ensemble was computed at each snapshot of the simulation. The interaction potential model was optimized and iterated by a Levenberg-Marquardt algorithm. Secondly, we report that terahertz spectroscopy directly probes hydration dynamics around proteins and determines the size of the dynamical hydration shell. We also present the sequence and pH-dependence of the hydration shell and the effect of the hydrophobicity. On the other hand, kinetic terahertz absorption (KITA) spectroscopy is introduced to study the refolding kinetics of ubiquitin and its mutants. KITA results are compared to small angle X-ray scattering, tryptophan fluorescence, and circular dichroism results. We propose that KITA monitors the rearrangement of hydrogen bonding during secondary structure formation. Finally, we present development of the automated single molecule operating system (ASMOS) for a high throughput single molecule detector, which levitates a single protein molecule in a 10 µm diameter droplet by the laser guidance. I also have performed supporting calculations and simulations with my own program codes.

Ketterän ohjelmistokehittämisen hyödyntäminen käyttöliittymäkehityksessä asiakkaiden todellisen tarpeen ymmärtämiseksi

Työn tavoitteena oli toimintatutkimuksen kautta tutkia ketterän ohjelmistokehityksen keinoin toteutetun käyttöliittymäkehityksen kykyä vastata asiakkaiden todellisiin tarpeisiin. Työssä haettiin tapaustutkimusyritykselle olemassa olevan työkalun uuden version käyttöliittymän toteutusvaihtoehtoja ja toteutettiin korkean tarkkuuden prototyyppejä näitä hyödyntäen. Ketterän ohjelmistokehityksen arvot ja periaatteet soveltuivat kehitysprosessissa käytettäviksi erinomaisesti. Iteratiivinen lähestymistapa kehitykseen ja läheinen yhteistyö tapaustutkimusyrityksen ja kandidaatintyöntekijän kanssa mahdollistivat yrityksen odotusten täyttämisen. Työkalun käyttöliittymä saatettiin tasolle, joka mahdollistaa jatkokehittämisen aloituksen. Kattavamman testauttamisen sisällyttäminen kehitysprosessiin olisi edesauttanut vielä paremman lopputuloksen saavuttamista.

Gait Regulation for Bipedal Locomotion

This work explores regulation of forward speed, step length, and slope walking for the passive-dynamic class of bipedal robots. Previously, an energy-shaping control for regulating forward speed has appeared in the literature; here we show that control to be a special case of a more general time-scaling control that allows for speed transitions in arbitrary time. As prior work has focused on potential energy shaping for fully actuated bipeds, we study in detail the shaping of kinetic energy for bipedal robots, giving special treatment to issues of underactuation. Drawing inspiration from features of human walking, an underactuated kinetic-shaping control is presented that provides efficient regulation of walking speed while adjusting step length. Previous results on energetic symmetries of bipedal walking are also extended, resulting in a control that allows regulation of speed and step length while walking on any slope. Finally we formalize the optimal gait regulation problem and propose a dynamic programming solution seeded with passive-dynamic limit cycles. Observations of the optimal solutions generated by this method reveal further similarities between passive dynamic walking and human locomotion and give insight into the structure of minimum-effort controls for walking.

Health assets and active lifestyles during preadolescence and adolescence: highlights from the HBSC/WHO health survey and implications for health promotion

The present chapter discusses the assets model as a theoretical approach to the study of health behavior and health promotion. The model emphasizes people’s talents, competences, and resources. In this chapter, a health asset is defined as any factor or resource that maximizes the opportunities for individuals, local communities, and populations to attain and maintain health and well-being. This perspective expands and complements the current medical model as it focuses on the development of a sense of empowerment in community members to prevent and manage their own health. Therefore, in this chapter we address the concepts of salutogenesis, social support, resilience, coping, self-regulation, social capital, and personal and social competence, which are central to the development of individuals’ potential to manage and savor their own health, creating the conditions for self-fulfillment. Additionally, we demonstrate how the assets model guides the study of children’s and adolescents’ health in the Portuguese Health Behaviour in School-aged Children study (www.hbsc.org), concentrating on areas such as active lifestyles and quality-of-life perception. Finally, we present a roadmap for action that emphasizes the need to identify the factors that make children and adolescents happy and healthy individuals, while minimizing risks and problems they naturally encounter throughout their development. We also argue for the need to involve young people in discussions concerning their health and health promotion practices, focusing on the development of talents, capabilities, and positive expectations for the future.

Desechos líquidos: el caso de las salas de belleza

El objetivo principal de este estudio preliminar consistió en el análisis de las fortalezas y las debilidades en el manejo de desechos líquidos en cinco salas de belleza para apoyar estudios posteriores. Adicionalmente, se realizó un muestreo de aguas residuales en dos de los salones de belleza, S1 y S2, en los que se recolectaron muestras compuestas durante un día laboral. Los valores promedio de pH, amonio, DQO y grasas y aceites superaron los límites permitidos en la legislación costarricense, estos fueron respectivamente: 7,96 ± 0,01; 0,38 ± 0,01 mg N/L; 77 ± 13 mg O2/L y 1905,0 ± 0,1 mg/L, para S1 y 8,88 ± 0,01, 57,4 ±0,2 mg N/L; 240 ± 128 mg O2/L y 2775,0 ± 0,1 mg/L, para S2. Se evidenció que la calidad del agua y el cumplimiento de la normativa vigente son dependientes del tipo de productos utilizados (biodegradables o no, con o sin amoniaco). Aunque los volúmenes de vertido son intermitentes y pequeños, estos desechos pueden impactar negativamenteel ambiente.

Exact Solution of Bayes and Minimax Change-Detection Problems

The challenge of detecting a change in the distribution of data is a sequential decision problem that is relevant to many engineering solutions, including quality control and machine and process monitoring. This dissertation develops techniques for exact solution of change-detection problems with discrete time and discrete observations. Change-detection problems are classified as Bayes or minimax based on the availability of information on the change-time distribution. A Bayes optimal solution uses prior information about the distribution of the change time to minimize the expected cost, whereas a minimax optimal solution minimizes the cost under the worst-case change-time distribution. Both types of problems are addressed. The most important result of the dissertation is the development of a polynomial-time algorithm for the solution of important classes of Markov Bayes change-detection problems. Existing techniques for epsilon-exact solution of partially observable Markov decision processes have complexity exponential in the number of observation symbols. A new algorithm, called constellation induction, exploits the concavity and Lipschitz continuity of the value function, and has complexity polynomial in the number of observation symbols. It is shown that change-detection problems with a geometric change-time distribution and identically- and independently-distributed observations before and after the change are solvable in polynomial time. Also, change-detection problems on hidden Markov models with a fixed number of recurrent states are solvable in polynomial time. A detailed implementation and analysis of the constellation-induction algorithm are provided. Exact solution methods are also established for several types of minimax change-detection problems. Finite-horizon problems with arbitrary observation distributions are modeled as extensive-form games and solved using linear programs. Infinite-horizon problems with linear penalty for detection delay and identically- and independently-distributed observations can be solved in polynomial time via epsilon-optimal parameterization of a cumulative-sum procedure. Finally, the properties of policies for change-detection problems are described and analyzed. Simple classes of formal languages are shown to be sufficient for epsilon-exact solution of change-detection problems, and methods for finding minimally sized policy representations are described.

Ecological and evolutionary effects of dispersal on freshwater zooplankton

A recent focus on contemporary evolution and the connections between communities has sought to more closely integrate the fields of ecology and evolutionary biology. Studies of coevolutionary dynamics, life history evolution, and rapid local adaptation demonstrate that ecological circumstances can dictate evolutionary trajectories. Thus, variation in species identity, trait distributions, and genetic composition may be maintained among ecologically divergent habitats. New theories and hypotheses (e.g., metacommunity theory and the Monopolization hypothesis) have been developed to understand better the processes occurring in spatially structured environments and how the movement of individuals among habitats contributes to ecology and evolution at broader scales. As few empirical studies of these theories exist, this work seeks to further test these concepts. Spatial and temporal dispersal are the mechanisms that connect habitats to one another. Both processes allow organisms to leave conditions that are suboptimal or unfavorable, and enable colonization and invasion, species range expansion, and gene flow among populations. Freshwater zooplankton are aquatic crustaceans that typically develop resting stages as part of their life cycle. Their dormant propagules allow organisms to disperse both temporally and among habitats. Additionally, because a number of species are cyclically parthenogenetic, they make excellent model organisms for studying evolutionary questions in a controlled environment. Here, I use freshwater zooplankton communities as model systems to explore the mechanisms and consequences of dispersal and to test these nascent theories on the influence of spatial structure in natural systems. In Chapter one, I use field experiments and mathematical models to determine the range of adult zooplankton dispersal over land and what vectors are moving zooplankton. Chapter two focuses on prolonged dormancy of one aquatic zooplankter, Daphnia pulex. Using statistical models with field and mesocosm experiments, I show that variation in Daphnia dormant egg hatching is substantial among populations in nature, and some of that variation can be attributed to genetic differences among the populations. Chapters three and four explore the consequences of dispersal at multiple levels of biological organization. Chapter three seeks to understand the population level consequences of dispersal over evolutionary time on current patterns of population genetic differentiation. Nearby populations of D. pulex often exhibit high population genetic differentiation characteristic of very low dispersal. I explore two alternative hypotheses that seek to explain this pattern. Finally, chapter four is a case study of how dispersal has influenced patterns of variation at the community, trait and genetic levels of biodiversity in a lake metacommunity.

Future Bloom and Blossom Frost Risk for Malus domestica Considering Climate Model and Impact Model Uncertainties

The future bloom and risk of blossom frosts for Malus domestica were projected using regional climate realizations and phenological (= impact) models. As climate impact projections are susceptible to uncertainties of climate and impact models and model concatenation, the significant horizon of the climate impact signal was analyzed by applying 7 impact models, including two new developments, on 13 climate realizations of the IPCC emission scenario A1B. Advancement of phenophases and a decrease in blossom frost risk for Lower Saxony (Germany) for early and late ripeners was determined by six out of seven phenological models. Single model/single grid point time series of bloom showed significant trends by 2021-2050 compared to 1971-2000, whereas the joint signal of all climate and impact models did not stabilize until 2043. Regarding blossom frost risk, joint projection variability exceeded the projected signal. Thus, blossom frost risk cannot be stated to be lower by the end of the 21st century despite a negative trend. As a consequence it is however unlikely to increase. Uncertainty of temperature, blooming date and blossom frost risk projection reached a minimum at 2078-2087. The projected phenophases advanced by 5.5 d K-1, showing partial compensation of delayed fulfillment of the winter chill requirement and faster completion of the following forcing phase in spring. Finally, phenological model performance was improved by considering the length of day.

Comportamentos de Risco no Tráfego Rodoviário

O presente trabalho descreve um estudo exploratório sobre a temática “Comportamentos de Risco no Tráfego Rodoviário” realizado a condutores da cidade de Bragança. Os principais objetivos direcionam-se para a identificação dos fatores cognitivos que mais influenciam a condução, das atitudes gerais e específicas de maior ou menor risco nos condutores de Bragança, e das crenças normativas e a intenção comportamental face à condução e aos comportamentos de risco. Para obter a informação necessária, foi usado o “Questionário baseado no modelo do Comportamento Planeado para a predição do comportamento de condução”, que foi realizado para a população portuguesa, e que a autora, Doutora Cristina Pimentão, permitiu a adaptação do mesmo ao tema da presente investigação. De uma forma geral, os resultados que se obtiveram evidenciam que o fator cognitivo que mais influencia o processo da condução é a atenção. Quanto às atitudes gerais, os comportamentos apontados que evidenciam maior risco são “A confiança na resposta do carro” e o “Excesso de confiança”, e os comportamentos que revelam menor risco são o cumprimento da regra de paragem completa num sinal de STOP e a discordância de que as pessoas que conduzem de forma agressiva estão mais atentas à condução. Por sua vez, nos resultados das atitudes específicas registam-se atitudes de indiferença, por parte dos inquiridos que responderam “Não concordo nem discordo” nas questões sobre “As campanhas que alertam para os efeitos do álcool são eficazes” e “Se o ensino das escolas de condução fosse adequado não teríamos condutores a conduzir sob a influência do álcool”. Já no que diz respeito às crenças normativas, verificaram-se resultados que apontam para expectativas de menor risco, pois na ótica dos condutores as pessoas que lhe são importantes esperariam deles comportamentos de menor risco. Paralelamente, os resultados sobre as intenções comportamentais traduzem baixas intenções de praticar o comportamento de risco, excetuando no item “É provável que eu venha conduzir um automóvel sob o efeito do álcool”, em que um número considerável de inquiridos respondeu que seria provável e muito provável a intenção de praticar este comportamento de risco. Os resultados são claros relativamente ao consumo de álcool e à sua influência no comportamento dos condutores, sendo necessário e urgente uma intervenção coerente e direcionada para a prevenção da ocorrência deste comportamento.

A formação em educação ambiental na ênfase em gestão de patrimônio socioambiental do curso de História - Bacharelado da Universidade Federal do Rio Grande

A presente dissertação de mestrado teve como fenômeno de estudo a Ênfase em Gestão do Patrimônio Socioambiental do curso de História Bacharelado da Universidade Federal do Rio Grande – FURG, buscando compreender o processo de constituição e desenvolvimento desta Ênfase e suas articulações com a Educação Ambiental. Para tanto, foram elencadas três hipóteses: (a) a Ênfase em Gestão do Patrimônio Socioambiental do curso de Bacharelado em História da FURG não é estruturada e nem desenvolvida a partir das emergências da crise estrutural da qual a crise ambiental é um aspecto latente; (b) os saberes desenvolvidos na Ênfase não possibilitam que o egresso desenvolva a criticidade e a formação necessária para o cumprimento de sua função socioambiental; (c) a Educação Ambiental desenvolvida na Ênfase em Gestão do Patrimônio Socioambiental do curso de História – Bacharelado da Universidade Federal do Rio Grande – FURG não é expressão de uma ciência que se pretenda a serviço da classe trabalhadora e que se proponha a encarar os desafios das questões impostas pela crise ambiental. Em decorrência destas, foi desenvolvido um objetivo geral e três objetivos específicos, sendo eles: (a) Entender as condições sociais de crise ambiental em meio as quais surge a necessidade de gestores do patrimônio socioambiental; (b) Analisar os aspectos teóricos do campo da Educação Ambiental e a compreensão de ciência presentes na formação dos gestores do patrimônio socioambiental; (c) Identificar, no Projeto Pedagógico do curso de História Bacharelado, os aspectos políticos que demonstrem a função social do egresso. Ainda no sentido de atender ao objetivo geral foram organizadas quatro questões de pesquisa, a saber: (a) Quais as emergências da necessidade de criação da Ênfase em Gestão do Patrimônio Socioambiental no curso de História - Bacharelado da Universidade Federal do Rio Grande - FURG? (b) Que perspectiva de Educação Ambiental tem os professores da Ênfase em Gestão do Patrimônio Socioambiental do curso de História - Bacharelado da Universidade Federal do Rio Grande - FURG? (c) Que compreensão de ciência e de Educação Ambiental está vinculada à formação dos egressos da Ênfase em Gestão do Patrimônio Socioambiental do curso de História - Bacharelado da Universidade Federal do Rio Grande - FURG? (d) Quais saberes são fundamentais na formação dos gestores do patrimônio socioambiental para que compreendam os fundamentos da crise que faz emergir a necessidade da função social de tal ênfase? Nesta pesquisa foram utilizados, prioritariamente, os referenciais teóricos e epistemológicos com vinculação à compreensão de mundo marxista. Após o processo de revisão bibliográfica foram desenvolvidas entrevistas semi-estruturadas com sete professores atuantes na ênfase em estudo. Na sequência, para apreciação das informações, foi utilizado o referencial metodológico da Análise de Conteúdo de Laurence Bardin. Concluiu-se no processo de pesquisa que a ênfase se relaciona com a oferta de novas possibilidades de atuação profissional do historiador gestor. Bem como os saberes desenvolvidos na ênfase possibilitam parcialmente a constituição da criticidade dos egressos. Por fim, a Educação Ambiental desenvolvida na ênfase não pode, em sua totalidade, estar a serviço da classe trabalhadora, pois está circunscrita, no presente momento histórico, aos limites do Capital.

Óbidos, literary village: innovation in the creative industries?

The village of Óbidos was recognized in 2015 as a creative city in the area of literature, becoming a member of the UNESCO Creative Cities Network. The attribution of the title depends on the fulfillment of a number of criteria the regions have to integrate. In addition to Óbidos, UNESCO attributed the same title in the same year to other European cities, including Barcelona, Nottingham, Ljubljana, Tartu and Lviv. This article intends to co nduct a case study to the cultural and artistic offer, as well as the cultural and literary legacy that different cities provide to be able to inquire the innovation of the proposals. The study aims to assess how much Óbidos, compared to other cities with the same title, is creative. Knowing that the concept of creative city (Landry and Bianchini, 1995) results from the emergence of new technologies and a new type of economy based on creativity and innovation and that creativity implies removing economic or social value of the creative work or talent, the study aims to determine to what extent the processes generated gave rise to new ideas (creativity) and what processes led to its implementation (innovation). Being innovation in the creative industries asso ciated with product, process, positioning, paradigmatic and social innovation (Storsul and Krumsvik, 2013), it is concluded that, in Óbidos, the entrepreneurship initiatives are more focused on tourists who occasionally visit the village and the business o pportunities that are generated there. New innovative and creative spaces were created, promoting literature and adding value and quality to urban space. This urban intervention resulted in the attraction of individuals who streamlined new habits of being and acting in the village

Aplicación de un modelo de gestión del conocimiento para mejorar el programa de capacitación del call center de Promociones y Cobranzas Beta S.A. Bogotá

Este artículo de investigación propone la aplicación de un modelo de gestión del conocimiento para mejorar el programa de capacitación en el Call Center de la empresa Promociones y Cobranzas Beta S.A., ubicada en la zona centro de Bogotá, Cra. 10 No. 16 -39 piso 13. La investigación se realizó durante el año 2015 utilizando como metodología revisión documental, entrevistas a los coordinadores del área y encuestas con un grupo de asesores del Call Center. La aplicación de dichas herramientas generó información acerca del proceso de capacitación actual. A partir de algunas teorías de gestión del conocimiento se buscó determinar el ciclo de las capacitaciones que mejor se adaptara a la necesidad del Call Center de Promociones y Cobranzas Beta S.A., de tal forma que la comunicación con los asesores de cobranzas fuera más efectiva y el conocimiento mantuviera una actualización permanente. La aplicación del modelo permitirá a la gerencia de la compañía, ampliar el conocimiento y mejorar en el servicio con los clientes atendidos, reflejando cumplimiento de las metas de cobro establecidas en el área. Palabras clave: Gestión del conocimiento, programa de capacitación, Call Center

Głosowanie elektroniczne – nowe wyzwanie dla demokracji?

The notion of democracy poses a significant challenge and problem in modern considerations on history, philosophy and politics. At present, in the face of the so-called information revolution, democracy has undoubtedly undergone profound and easily visible transformations. It can be said that the application of IT to exercise democratic power has brought about a revolution that will span a period of many years, given the different potential differing states have to spread the new technologies. The development of information and communications technology (ICT) has introduced new notions related to democracy, such as teledemocracy, technopolitics or electronic democracy (e-democracy). The subject of this paper, electronic voting (e-voting) is among the highly significant instruments of e-democracy. Electronic voting is the fulfillment of the principle of national sovereignty as it can be applied in the procedures of both indirect (e-elections) and direct (e-referendum) democracy.

Guiding Monte Carlo tree searches with neural networks in the game of go

A dissertation submitted in fulfillment of the requirements to the degree of Master in Computer Science and Computer Engineering

A eficácia da identidade visual do Novo Banco na perceção e associações semânticas à marca

A presente dissertação, no âmbito do mestrado de Línguas e Relações Empresariais, tem como objetivo aferir a perceção do público relativamente à identidade visual do Novo Banco, de modo a compreender se esta atuou eficazmente enquanto instrumento de comunicação no pós crise da instituição. Esta eficácia prende-se com a capacidade da identidade visual influenciar positivamente uma marca, promovendo o seu reconhecimento e visibilidade, bem como a diferenciação e o posicionamento positivo na mente do público. O processo de desmantelamento do Banco Espírito Santo, e posterior surgimento do Novo Banco, encontra-se associado a uma forte carga emocional. Por isso, com a intenção de avaliar com maior exactidão o impacto desta carga emocional inerente ao Novo Banco, foram estudadas, também, associações semânticas à marca, reveladoras do significado afetivo do público relativamente à organização. Para o cumprimento objetivo, foram delineadas bases contextuais e teóricas, que levaram à aplicação de um questionário que visou a obtenção de dados relativos, precisamente, à perceção do público geral. Os resultados sugerem que a identidade visual não foi uma resposta suficientemente eficaz dado que determinados componentes que a constituem não oferecem uma interpretação clara do que significam, originando baixos níveis de concordância. Contudo, os resultados mostram, ainda, que grande parte desta ineficácia deriva das consequências da crise no Banco Espírito Santo, ainda muito presentes na mente do público.