Coarse-graining and quantum-classical adaptive coupling in soft matter

Die vorliegende Arbeit untersucht den Zusammenhang zwischen Skalen in Systemen weicher Materie, der für Multiskalen-Simulationen eine wichtige Rolle spielt. Zu diesem Zweck wurde eine Methode entwickelt, die die Approximation der Separierbarkeit von Variablen für die Molekulardynamik und ähnliche Anwendungen bewertet. Der zweite und größere Teil dieser Arbeit beschäftigt sich mit der konzeptionellen und technischen Erweiterung des Adaptive Resolution Scheme'' (AdResS), einer Methode zur gleichzeitigen Simulation von Systemen mit mehreren Auflösungsebenen. Diese Methode wurde auf Systeme erweitert, in denen klassische und quantenmechanische Effekte eine Rolle spielen.rnrnDie oben genannte erste Methode benötigt nur die analytische Form der Potentiale, wie sie die meisten Molekulardynamik-Programme zur Verfügung stellen. Die Anwendung der Methode auf ein spezielles Problem gibt bei erfolgreichem Ausgang einen numerischen Hinweis auf die Gültigkeit der Variablenseparation. Bei nicht erfolgreichem Ausgang garantiert sie, dass keine Separation der Variablen möglich ist. Die Methode wird exemplarisch auf ein zweiatomiges Molekül auf einer Oberfläche und für die zweidimensionale Version des Rotational Isomer State (RIS) Modells einer Polymerkette angewandt.rnrnDer zweite Teil der Arbeit behandelt die Entwicklung eines Algorithmus zur adaptiven Simulation von Systemen, in denen Quanteneffekte berücksichtigt werden. Die Quantennatur von Atomen wird dabei in der Pfadintegral-Methode durch einen klassischen Polymerring repräsentiert. Die adaptive Pfadintegral-Methode wird zunächst für einatomige Flüssigkeiten und tetraedrische Moleküle unter normalen thermodynamischen Bedingungen getestet. Schließlich wird die Stabilität der Methode durch ihre Anwendung auf flüssigen para-Wasserstoff bei niedrigen Temperaturen geprüft.

[Décimas en contra de la ocupación francesa de España] [Manuscrito]

Contiene: Dezimas que amanecio en Cadiz enla Lonja del Comercio (h. 2)

Patas, garras e rastros: marcas de animais na poesia de Adília Lopes

Esta pesquisa tem como objetivo olhar para a poesia de Adília Lopes, poetisa portuguesa contemporânea, sob o prisma da zooliteratura, analisando as quatro principais imagens de animais de sua poética gatos, cães, peixes e serpentes. A investigação das várias significações que eles podem adquirir nos poemas adilianos também possibilitará compreender a proposta de desierarquizar a relação com e entre os animais (seja através da relação afetiva, da empatia ou da compaixão). A poetisa problematiza o lugar que os animais ocupam no mundo cotidiano e propõe uma revalorização desses seres. Ela não exclui o diferente, mas o reconhece. Pensar sobre o lugar de importância que os animais escritos têm na obra adiliana tece novos olhares não só sobre essa poética, mas também sobre a relação que se faz, ao longo desses anos, entre os animais e os seres humanos.

Plant regeneration functional groups modulate the response to fire of soil enzyme activities in a Mediterranean shrubland

Soil enzymes are critical to soil nutrient cycling function but knowledge on the factors that control their response to major disturbances such as wildfires remains very limited. We evaluated the effect of fire-related plant functional traits (resprouting and seeding) on the resistance and resilience to fire of two soil enzyme activities involved in phosphorus and carbon cycling (acid phosphatase and β-glucosidase) in a Mediterranean shrublands in SE Spain. Using experimental fires, we compared four types of shrubland microsites: SS (vegetation patches dominated by seeder species), RR (patches dominated by resprouter species), SR (patches co-dominated by seeder and resprouter species), and IP (shrub interpatches). We assessed pre- and post-fire activities of the target soil enzymes, available P, soil organic C, and plant cover dynamics over three years after the fire. Post-fire regeneration functional groups (resprouter, seeder) modulated both pre- and post-fire activity of acid phosphatase and β-glucosidase, with higher activity in RR and SR patches than in SS patches and IP. However, we found no major differences in enzyme resistance and resilience between microsite types, except for a trend towards less resilience in SS patches. Fire similarly reduced the activity of both enzymes. However, acid phosphatase and β-glucosidase showed contrasting post-fire dynamics. While β-glucosidase proved to be rather resilient to fire, fully recovering three years after fire, acid phosphatase showed no signs of recovery in that period. Overall, the results indicate a positive influence of resprouter species on soil enzyme activity that is very resistant to fire. Long-lasting decrease in acid phosphatase activity probably resulted from the combined effect of P availability and post-fire drought. Our results provide insights on how plant functional traits modulate soil biochemical and microbiological response to fire in Mediterranean fire-prone shrublands.

Successional stage after land abandonment modulates fire severity and post-fire recovery in a Mediterranean mountain landscape

This study analyses the effect of successional stage after farmland terrace abandonment on post-fire plant recovery in a Mediterranean landscape. Specific objectives of the study were to (1) compare fuel characteristics and fire severity in three successional stages after farmland abandonment – dry grassland, dense shrubland and pine stands; (2) analyse the effect of pre-fire successional stage and fire severity on vegetation recovery and (3) analyse the relative vulnerability (i.e. potential for ecosystem shift and soil degradation) to wildfires of the successional stages. We assessed 30 abandoned terraces (15 unburned and 15 burned), with diverse successional stages, on the Xortà Range (south-east Spain). Post-fire recovery was measured 1, 4 and 7 years after fire. The successional stages varied in aboveground biomass, litter amount, vertical structure and continuity of plant cover, and flammability. Dry grassland showed the lowest fire severity, whereas no differences in severity were found between shrubland and pine stands. One year after fire, plant cover was inversely related to fire severity; this relationship attenuated with time after fire. Post-fire recovery of pine stands and shrubland led in both cases to shrublands, contributing to landscape homogenisation. The pine stands showed the largest changes in composition due to fire and the lowest post-fire plant recovery – a sign of high vulnerability to fire.

Risco de queda em idosos institucionalizados

Os idosos institucionalizados apresentam risco de queda aumentado, quando comparado com os idosos não institucionalizados. A questão das quedas deve ser encarada como um grave problema de saúde pública, dadas as suas consequências e os custos irreversíveis. Assim, o estudo pretende avaliar o risco de queda em idosos institucionalizados e determinar os fatores que lhe estão associados. Trata-se de um estudo transversal descritivo-correlacional e de natureza quantitativa, que utilizou uma amostra não probabilística por conveniência composta por 136 idosos, com idades que variam entre os 65 anos e os 99 anos de idade, com uma média de idades de 85,98 anos. Os dados foram recolhidos através de um questionário, que procurava obter uma caracterização sociodemográfica, e clínica dos idosos e conhecer a história e circunstâncias das quedas. Foram utilizadas as escalas de Funcionalidade Familiar, Escala de Avaliação da Dependência nos Autocuidados e por último a POMA I (Índice de Tinetti). Os resultados revelam risco de queda bastante considerável, uma vez que se verificou que cerca de 45,6% dos idosos apresenta elevado risco de queda, 16,2% médio risco e 38,2% baixo risco. Verificamos ainda que, ser do sexo feminino e ter um baixo grau de escolaridade são fatores relacionados com o aumento do risco de queda. O mesmo apuramos relativamente ao défice cognitivo, á presença de doenças neurológicas, osteoarticulares, diminuição da acuidade visual e auditiva. Contrariamente, os idosos mais autónomos na deambulação, tomar banho e na toma da medicação são aqueles que apresentam menor risco de queda. Palavras-chave: idosos, risco de queda, institucionalização, capacidade funcional e equilíbrio.

La diaconale Basilica de' SS. Cosmo, e Damiano nel Romano Foro, detto volgarmente Campo Vaccino de' padri del terz' ordine di S. Francesco : proposta a gl' occhi de' fedeli nella sua antichità, venerazione, privilegj, indulgenze, e reliquie secondo l'antichissime memorie della medesima /

Title ornament; decorative initial; tail-pieces.

Opus aureum et scholasticvm, in qvo continentvr Pythagorae Carmina aurea, Phocylidis, Theognidis & aliorum poëmata.

Greek and Latin.

Build-up of auditory stream segregation induced by tone sequences of constant or alternating frequency and the resetting effects of single deviants

Three experiments investigated the dynamics of auditory stream segregation. Experiment 1 used a 2.0-s constant-frequency inducer (10 repetitions of a low-frequency pure tone) to promote segregation in a subsequent, 1.2-s test sequence of alternating low- and high-frequency tones. Replacing the final inducer tone with silence reduced reported test-sequence segregation substantially. This reduction did not occur when either the 4th or 7th inducer was replaced with silence. This suggests that a change at the induction/test-sequence boundary actively resets buildup, rather than less segregation occurring simply because fewer inducer tones were presented. Furthermore, Experiment 2 found that a constant-frequency inducer produced its maximum segregation-promoting effect after only 3 tone cycles - this contrasts with the more gradual build-up typically observed for alternating sequences. Experiment 3 required listeners to judge continuously the grouping of 20-s test sequences. Constant-frequency inducers were considerably more effective at promoting segregation than alternating ones; this difference persisted for ∼10 s. In addition, resetting arising from a single deviant (longer tone) was associated only with constant-frequency inducers. Overall, the results suggest that constant-frequency inducers promote segregation by capturing one subset of test-sequence tones into an on-going, pre-established stream and that a deviant tone may reduce segregation by disrupting this capture. © 2013 Acoustical Society of America.

The Devil and Views on the “Other” in Part One of Pedro Cieza de León’s "Crónica del Perú" (1553)

Many 16th century Spanish chroniclers and missionaries, arriving at what they interpreted as a New World, saw the Devil as a “hermeneutic wildcard” that allowed them to comprehend indigenous religions. Pedro Cieza de León, a soldier in the conquest of Peru, is a case in point. Cieza considers the Devil responsible for the most aberrant religious practices and customs of the Indians, although he views the natives in a positive light, as men susceptible to divine salvation. From a providentialist perspective of the history of the conquest, Cieza interprets that the evangelization and conversion of the Indians and the implantation of Christian civilization by the Spanish Crown, were able to defeat the Devil.

Distribución de cobre, plomo, zinc y cadmio en los sedimentos del Puerto del Callao

Los sedimentos marinos son el último recipiente de casi todas las trazas de metales introducidas por la actividad del hombre dentro del ecosistema marino. Los metales son un constituyente común de casi todos los sedimentos y son estudiados como tales, no solamente por sus efectos tóxicos directos si no también como indicadores para evaluar el comportamiento de ciertos desechos.

MAASEUDUN JOUKKOLIIKENNE – Asiointiliikenteen tila Suomen maaseutualeilla

Suomessa joukkoliikenteellä on erilaisia tavoitteita eri alueille. Maaseudulla joukkoliikenteen on turvattava ihmisten perusliikkumispalvelut. Tätä tavoitetta varten valtio on määritellyt julkisen liikenteen peruspalvelutason. Maaseudulla normaalin linja-autolla ajettavan vakiovuoroliikenteen kannattavuus on vuosien aikana heikentynyt ja joukkoliikennetarjontaa on jouduttu karsimaan. Maaseutukuntien sisäistä joukkoliikennettä ajetaan erilaisten kutsujoukko- ja palveluliikennekonseptien avulla asiointiliikenteenä. Liikenteen järjestämisessä ja toimintatavoissa on vaihtelua kuntien välillä. Asiointiliikenteen toteuttamista kunnissa vaikeuttaa kuntien taloudellinen tilanne, joka on jatkossa vaarassa heikentyä entisestään. Maaseutualueilla väestö vähenee ja ikääntyy, mikä myös vaikuttaa joukkoliikenteen kannattavuuteen ja joukkoliikennettä koskeviin vaatimuksiin. Tässä tutkimuksessa selvitetään millä tavalla kunnat järjestävät kuntien sisäisen asiointiliikenteen ja toteutuuko tavoitteellinen peruspalvelutaso. Tutkimuksessa selvitetään millaisia erilaisia liikennepalveluja kunnilla on tarjolla, millä tavalla palvelut toimivat ja mikä on kuntapäättäjien oma henkilökohtainen näkemys kunnan joukkoliikenteen tilasta. Tutkimuksen aineisto on kerätty haastattelemalla 14 joukkoliikenteestä kunnassaan vastaavaa henkilöä eri puolilla Suomea. Tutkimus on toteutettu kysymyslomakkeen avulla ja menetelmänä tutkimuksessa on käytetty teemahaastattelua. Tutkimus on saatu Oripään ja Pöytyän kuntien toimeksiantona ja sen on tarkoitus antaa edellä mainituille kunnille lisätietoa omien liikennepalveluidensa järjestämisen tueksi. Tulokset osoittavat, että joukkoliikennetarjontaa on kunnissa vaihtelevasti ja liikennöinnin toimintatavoissa on eroa kuntien välillä. Kunnat järjestävät asiointiliikennettä parhaaksi katsomallaan tavalla kuntien olosuhteiden mukaan. Monessa kunnassa taloudellinen tila on haastava, mikä saattaa vaikuttaa joukkoliikennepalveluiden tarjontaan tulevaisuudessa. Liikennepalveluiden kohdalla joissain kunnissa haetaankin säästöjä eri käyttäjäryhmien matkoja yhdistelemällä. Tavoitteellinen peruspalvelutaso toteutuu ainoastaan yhdessä kunnassa. Tulosten perusteella kuntien välistä yhteistyötä tehdään vaihtelevasti ja moni toivookin yhteistyön jatkossa lisääntyvän. Päättäjät kuitenkin kokevat oman kuntansa joukkoliikenteen toimivan melko hyvin eikä ainakaan lähitulevaisuudessa ole sen osalta muutoksia tiedossa.

Integrating corporate responsbility into investor relations. Sustainability report as a part of investor relations.

Corporate responsibility is a question that many stakeholders are interested in. These stakeholders can be e.g. company’s employees, partners, clients, media or investors. Especially for listed companies, investors are one of the most important stakeholders. It is essential for a company to maintain the trust of current investors and gain the trust of potential investors. Investors cannot be divided only into two groups, individual and institutional investors. Investors differ a lot, especially when it comes to investment decisions. Investors can make their investment decisions based on many things, and strong financial performance is not necessarily good enough a reason. Socially responsible investors value responsibility and sustainability related factors when making investment decisions. These things can be divided into three dimensions: environmental, social and economic responsibility. Many companies disclose a sustainability report in order to be able to answer to the needs of different stakeholders, including investors. The purpose of this thesis was to study how companies integrate corporate responsibility into investor relations, and how sustainability report can be used in investor relations. Furthermore, this thesis examined the key elements of sustainability reports. The research was made by a qualitative study in two phases. In the first phase five representatives of two Finnish listed companies, KONE and Kesko were interviewed. The interviewees are professionals within investor relations and corporate responsibility communications. In the second phase of the study the sustainability reports of these two companies were analyzed with content analysis. The existing theory and the interviews created the base for the content analysis. This study suggests that there is a connection between corporate responsibility and investor relations, and those should be integrated. Socially responsible investors are an important target group for companies, and companies should be able to respond to their and other stakeholders’ needs. Sustainability report can be used as a tool both within the company and in external communication for these purposes.

Capital structure of Finnish firms – Estimating the effects of firm characteristics on capital structure

One of the most disputable matters in the theory of finance has been the theory of capital structure. The seminal contributions of Modigliani and Miller (1958, 1963) gave rise to a multitude of studies and debates. Since the initial spark, the financial literature has offered two competing theories of financing decision: the trade-off theory and the pecking order theory. The trade-off theory suggests that firms have an optimal capital structure balancing the benefits and costs of debt. The pecking order theory approaches the firm capital structure from information asymmetry perspective and assumes a hierarchy of financing, with firms using first internal funds, followed by debt and as a last resort equity. This thesis analyses the trade-off and pecking order theories and their predictions on a panel data consisting 78 Finnish firms listed on the OMX Helsinki stock exchange. Estimations are performed for the period 2003–2012. The data is collected from Datastream system and consists of financial statement data. A number of capital structure characteristics are identified: firm size, profitability, firm growth opportunities, risk, asset tangibility and taxes, speed of adjustment and financial deficit. A regression analysis is used to examine the effects of the firm characteristics on capitals structure. The regression models were formed based on the relevant theories. The general capital structure model is estimated with fixed effects estimator. Additionally, dynamic models play an important role in several areas of corporate finance, but with the combination of fixed effects and lagged dependent variables the model estimation is more complicated. A dynamic partial adjustment model is estimated using Arellano and Bond (1991) first-differencing generalized method of moments, the ordinary least squares and fixed effects estimators. The results for Finnish listed firms show support for the predictions of profitability, firm size and non-debt tax shields. However, no conclusive support for the pecking-order theory is found. However, the effect of pecking order cannot be fully ignored and it is concluded that instead of being substitutes the trade-off and pecking order theory appear to complement each other. For the partial adjustment model the results show that Finnish listed firms adjust towards their target capital structure with a speed of 29% a year using book debt ratio.