Modeling grain boundaries in solids using a combined nonlinear and geometrical method

The complex arrangements of atoms near grain boundaries are difficult to understand theoretically. We propose a phenomenological (Ginzburg-Landau-like) description of crystalline phases based on symmetries and fairly general stability arguments. This method allows a very detailed description of defects at the lattice scale with virtually no tunning parameters, unlike usual phase-field methods. The model equations are directly inspired from those used in a very different physical context, namely, the formation of periodic patterns in systems out-of-equilibrium ({\it e.g.} Rayleigh-B\'enard convection, Turing patterns). We apply the formalism to the study of symmetric tilt boundaries. Our results are in quantitative agreement with those predicted by a recent crystallographic theory of grain boundaries based on a geometrical quasicrystal-like construction. These results suggest that frustration and competition effects near defects in crystalline arrangements have some universal features, of interest in solids or other periodic phases.Comment: 10 pages, 3 figure

Ultrashort nonlinear light-matter interactions in two-dimensional quasirelativistic systems

An encompassing study of nonlinear optical properties of two-dimensional quasirel ativistic systems is presented. The electrons in such systems may be adequately described by Dirac spinors, solutions to an equation formally equivalent to the Dirac equation in (2 + 1) dimensions. In order to model the carrier dynamics as a conse quence of optical excitations, the Dirac-Bloch Equations (DBEs) are derived, their framework explained and their predictions simulated in a wide range of excitation conditions. In particular, intense and ultrashort pulses, whose effect on media is oftentimes challenging to obtain, are used to study and analyse general optical fea tures through a prediction of the non-perturbative current and respective spectrum. As a starting point, pristine graphene samples are analysed and it is shown that the DBEs predict previously-forbidden second-harmonic generation. This result is to be contrasted with predictions from the Semiconductor Bloch Equations, which are shown to be inadequate to model graphene in such an excitation regime. If a gap in the spectrum is opened, the carriers acquire a Berry phase and may also produce interband-mediated harmonics of any desired order upon appropriate tun ing. The effects of lack of centrosymmetry, trigonal warping and spin-orbit coupling are also considered, and studied for transition metal dichalcogenides by applying the generalised Dirac-Bloch Equations. High even-harmonic generation, in accordance with recent experiments, is predicted, alongside anisotropic effects on the current. The results and methods outlined in this thesis help establish new techniques to un derstand and predict the nonlinear optical behaviour of a range of two-dimensional relativistic-like semiconductors admitting two effective bands, and help pave the way to predict quantitatively, in a generalised fashion, the effect of wide range of intrinsic or deliberate properties on nonlinear optical features of the media

Simulació energètica d'un edifici i propostes de millora

En el present document es desenvolupa un estudi amb l’objectiu de millorar l’eficiència energètica d’un edifici plurifamiliar de dos habitatges situat a la població de Sort, al Pallars Sobirà. Aquest document s’ha estructurat d’acord amb les exigències de qualsevol projecte d’aquesta índole. Inicialment es caracteritza l’edifici per a obtenir els paràmetres necessaris amb els quals es treballa més tard. Aquests paràmetres posteriorment s’introdueixen al software de simulació energètica SG SAVE, des d’on s’obtenen les dades inicials sobre les que treballar. Es comprova l’estat actual de l’edifici en funció de si aquestes dades compleixen les exigències de la normativa pertinent. Per a complir l’objectiu, i al mateix temps complir la normativa, es proposen quatre mesures amb la intenció tant de reduir la demanda d’energia, com d’augmentar el rendiment dels sistemes de les instal·lacions. Adicionalment a les mesures principals es proposen unes mesures de millora complementàries, que no són d’obligada aplicació per a complir el Codi Tècnic, però ajuden a la millora de l’envoltant tèrmica de l’edifici. Posteriorment es repeteix el procés de simulació energètica per a quantificar la millora, i comprovar si s’assoleix l’objectiu. Mitjançant un estudi de viabilitat econòmica es determina el període d’amortització de la inversió. S’acompanya aquest estudi amb els càlculs del VAN per a determinar si és una opció viable econòmicament a un mig-llarg plaç.En el presente documento se desarrolla un estudio que pretende mejorar la eficiencia energética de un edificio plurifamiliar de dos viviendas situada en la localidad de Sort, Pallars Sobirà. Este documento se ha estructurado en base a las exigencias de cualquier otro proyecto de esta misma índole. Inicialmente se caracteriza el edificio para obtener los parámetros necesarios con los que se trabaja a posterior. Estos parámetros se introducen en el software de simulación energética SG SAVE, de donde se obtienen los datos iniciales sobre los que se trabaja. Se comprueba el estado actual de la vivienda en función de si estos datos cumplen las exigencias de la normativa pertinente. Para alcanzar el objetivo, y al mismo tiempo cumplir la normativa, se proponen cuatro medidas de mejora con la intención de reducir la demanda de energía y de aumentar el rendimiento de las instalaciones. Adicionalmente a estas medidas principales se proponen unas medidas de mejora complementarias, que no son de obligada aplicación para cumplir las exigencias del Código Técnico, pero que ayudan a la mejora de la envolvente térmica del edificio. Posteriormente se repite el proceso de simulación energética para poder cuantificar la mejora, y comprobar si se cumple con el objetivo. Mediante un estudio de viabilidad económica se determina el periodo de amortización de la inversión. Se acompaña dicho estudio con los cálculos del VAN para determinar si es una opción viable económicamente en un medio-largo plazo.This project has the intention to improve the energy efficiency of a multi-family home located in Sort, Pallars Sobirà. This document has been structured in order to accomplish the requirements of this kind of projects. Initially, the building is defined to obtain the necessary parameters to work with later. These parameters are introduced into the SG SAVE energy simulation software, from which the initial data to work on are obtained. The current state of the home is checked based on whether these data meet the requirements of the necessary regulations. In order to achieve the goal, and at the same time cope with the regulations, four improvement measures are proposed with the intention to reduce the energy demand and increase the performance of the facilities. After that, the energy simulation is repeated in order to quantify the improvement, and check if the objective is met. With an economic study is determined the amortization period of the investment. This study is complemented with the NPV calculations to determine if it is an economically viable option in the medium-long term.Objectius de Desenvolupament Sostenible::7 - Energia Assequible i No ContaminantObjectius de Desenvolupament Sostenible::8 - Treball Decent i Creixement EconòmicObjectius de Desenvolupament Sostenible::11 - Ciutats i Comunitats Sostenible

Actuación acústica en edificio de arte contemporáneo

El edificio se encuentra enclavado en los alrededores de la plaza de la Merced y del Mercado Central, en el centro histórico de Valencia. El acondicionamiento consiste en alcanzar las características acústicas requeridas para un recinto a través de un diseño adecuado del espacio y la elección correcta de los materiales, mientras que el aislamiento consiste en atenuar la transmisión del ruido y las vibraciones entre distintos locales.Romeu Mont, D. (2011). Actuación acústica en edificio de arte contemporáneo. http://hdl.handle.net/10251/14257

INSERÇÃO DA EDUCAÇÃO FÍSICA NA ÁREA DE LINGUAGENS: COMPREENSÃO DOS PROFESSORES DA REDE PÚBLICA DO MUNICÍPIO DE NOVA CRUZ/RN

This research aims to understand the idea of ​​Physical Education as a curricular component of Language by teachers of elementary school II of the public school system in the city of Nova Cruz, Rio Grande do Norte. For this, we opted for the qualitative approach with exploratory and descriptive types of research. As an instrument for data collection, a questionnaire was applied via the Google Forms online platform, which was answered by 5 Physical Education teachers in the city of Nova Cruz/RN. From the answers of the responding professionals, dialogues were raised according to the available literature that deal with questions involving the theme. It was verified a limited understanding, on the part of the professors, about the insertion of the Physical Education curricular component in the field of Language, which, although some professionals are aware of this insertion, it was not possible to identify, from the listed answers, the reasons that led Physical Education to be in this area. There was also a strong proximity between the curricular component and the field of Natural Sciences, based on responses that treat the body as a uniquely biological being. Furthermore, in relation to Physical Education as a Language through an interdisciplinary perspective with the components of the area in question, there was a lack of practical proposals developed by professionals in their fields of activity, which, in turn, strengthens the distancing of Education Physics of the Language Niche.Esta investigación tiene como objetivo comprender la idea de Educación Física como componente curricular de Lengua por parte de profesores de la escuela primaria II del sistema escolar público en la ciudad de Nova Cruz, Rio Grande do Norte. Para ello, optamos por el enfoque cualitativo con tipos de investigación exploratoria y descriptiva. Como instrumento para la recolección de datos, se aplicó un cuestionario a través de la plataforma en línea Google Forms, que fue respondido por 5 profesores de Educación Física en la ciudad de Nova Cruz/RN. A partir de las respuestas de los profesionales que respondieron, fueron planteados diálogos de acuerdo con la literatura disponible que tratan cuestiones que envuelven el tema. Se verificó una comprensión limitada, por parte de los profesores, acerca de la inserción del componente curricular de Educación Física en el campo del Lenguaje, que, aunque algunos profesionales son conscientes de esa inserción, no fue posible identificar, a partir de los listados. responde, las razones que llevaron a la Educación Física a estar en este ámbito. También hubo una fuerte proximidad entre el componente curricular y el campo de las Ciencias Naturales, a partir de respuestas que tratan al cuerpo como un ser únicamente biológico. Además, en relación a la Educación Física como Lenguaje desde una perspectiva interdisciplinar con los componentes del área en mención, faltaron propuestas prácticas desarrolladas por profesionales en sus campos de actuación, lo que, a su vez, fortalece el distanciamiento de la Educación Física. del Nicho de la Lengua.A presente pesquisa tem como objetivo compreender a ideia da Educação Física enquanto componente curricular da área das linguagens por parte dos(as) professores(as) do ensino fundamental II da rede pública de ensino da cidade de Nova Cruz, Rio Grande do Norte. Para isto, optou-se pela abordagem qualitativa tendo como tipos de pesquisas exploratória e descritiva. Como instrumento para coleta de dados, utilizou-se um questionário aplicado via plataforma on-line Google Forms, o qual foi respondido por 5 docentes de Educação Física do município de Nova Cruz/RN. A partir das respostas dos profissionais respondentes, foram levantados diálogos de acordo com a literatura disponível que tratam das questões que envolvem a temática. Constatou-se uma limitada compreensão, por parte dos docentes, acerca da inserção do componente curricular Educação Física no campo da linguagem, que, embora alguns profissionais tenham ciência desta inserção, não foi possível identificar, a partir das respostas elencadas, os motivos que levaram a Educação Física a estar nesta área. Notou-se também uma forte proximidade do componente curricular com o campo das Ciências Naturais, a partir de respostas que tratam o corpo como um ser unicamente biológico. Ademais, em relação à Educação Física enquanto linguagem através de uma perspectiva interdisciplinar com os componentes da área em questão, evidenciou-se uma escassez de propostas práticas desenvolvidas pelos profissionais em seus campos de atuação, que, por sua vez, fortalecem o distanciamento da Educação Física do nicho da linguagem.&nbsp

Toxicity and structure-activity relationship (SAR) of α, β-dehydroamino acids against human cancer cell lines

A library of N-protected dehydroamino acids, namely dehydroalanine, dehydroaminobutyric acid and dehydrophenylalanine derivatives, was screened in three human cancer cell lines [(lung (A549), gastric (AGS) and neuroblastoma (SH-SY5Y)] in order to characterize their toxicological profile and identify new molecules with potential anticancer activity. Results showed N-protected dehydrophenylalanine and dehydroaminobutyric acid derivatives have no or low toxicity for all tested cell lines. The N-protected dehydroalanines exhibit significant toxic effects and the AGS and SH-SY5Y cells were significantly more vulnerable than A549 cells. Four α,β- dehydroalanine derivatives, with IC50 < 62.5 μM, were selected to investigate the pathways by which these compounds promote cell death. All compounds, at their IC50 concentrations, were able to induce apoptosis in both AGS and SH-SY5Y cell lines. In both cell lines, loss of mitochondrial membrane potential (ΔΨm) was found and caspase activity was increased, namely endoplasmic reticulum-resident caspase-4 in AGS cells and caspase-3/7 in SH-SY5Y cells. When evaluated in a non-cancer cell line, the molecules displayed no to low toxicity, thus suggesting some degree of selectivity for cancer cells. The results indicate that α,β-dehydroalanine derivatives can be considered a future resource of compounds able to work as anticancer drugs.This work received financial support from National Funds (FCT/MEC) through Project UID/QUI/50006/2013, co-financed by European Union (FEDER under the Partnership Agreement PT2020); and from Norte Portugal Regional Operational Programme (NORTE 2020), under the PORTUGAL 2020 Partnership Agreement, through the European Regional Development Fund (ERDF) (project NORTE-01-0145-FEDER 000024).info:eu-repo/semantics/publishedVersio

Anti-Inflammatory Effects of 5α,8α-Epidioxycholest-6-en-3β-ol, a Steroidal Endoperoxide Isolated from Aplysia depilans, Based on Bioguided Fractionation and NMR Analysis

[Abstract:] Sea hares of "Aplysia" genus are recognized as a source of a diverse range of metabolites. 5α,8α-Endoperoxides belong to a group of oxidized sterols commonly found in marine organisms and display several bioactivities, including antimicrobial, anti-tumor, and immunomodulatory properties. Herein we report the isolation of 5α,8α-epidioxycholest-6-en-3β-ol (EnP(5,8)) from "Aplysia depilans" Gmelin, based on bioguided fractionation and nuclear magnetic resonance (NMR) analysis, as well as the first disclosure of its anti-inflammatory properties. EnP(5,8) revealed capacity to decrease cellular nitric oxide (NO) levels in RAW 264.7 macrophages treated with lipopolysaccharide (LPS) by downregulation of the Nos2 (inducible nitric oxide synthase, iNOS) gene. Moreover, EnP(5,8) also inhibited the LPS-induced expression of cyclooxygenase-2 (COX-2), interleukin 6 (IL-6), and tumor necrosis factor alpha (TNF-α) at the mRNA and protein levels. Mild selective inhibition of COX-2 enzyme activity was also evidenced. Our findings provide evidence of EnP(5,8) as a potential lead drug molecule for the development of new anti-inflammatory agents.Portugal.Fundação para a Ciência e Tecnologia; UID/QUI/50006/2019Portugal. Fundação para a Ciência e Tecnologia; PD/BD/113565/201

Comparing extracorporeal shock wave lithotripsy and ureteroscopy laser lithotripsy for treatment of urinary stones smaller than 2 cm: a cost‑utility analysis in the Spanish clinical setting

Purpose To analyze the efciency and cost-utility profle of ureteroscopy versus shock wave lithotripsy for treatment of reno-ureteral stones smaller than 2 cm. Methods Patients treated for urinary stones smaller than 2 cm were included in this study (n=750) and divided into two groups based on technique of treatment. To assess the cost-utility profle a sample of 48 patients (50% of each group) was evaluated. Quality of life survey (Euroqol 5QD-3L) before-after treatment was applied, Markov model was designed to calculate quality of life in each status of the patients (stone or stone-free with and without double-J stent) and to estimate the incremental cost-utility. Monte carlo simulation was conducted for a probabilistic sensitivity analysis. Chi-square was used for comparing qualitative variables and T student's for continuous variables. Results Shock wave lithotripsy group had 408 (54.4%) and ureteroscopy group had 342 (45.6%) patients. Of them, 56.3% were treated for renal stones and 43.7% for ureteral stones. Ureteroscopy produced slightly higher overall quality of patients' life, but produced a signifcant higher overall cost per quality-adjusted life year (QALY) than shock wave lithotripsy, exceeding the cost-utility threshold (20,000 /QALY). Sensitivity analysis confrmed results in 93.65% of cases. Diference was maintained in subgroup analysis (ureteral vs renal stones). Conclusions Results suggest that in our clinical setting shock wave lithotripsy has better cost-utility profle than ureteroscopy for treatment of reno-ureteral stones less than 2 cm, but excluding waiting times, in ideal clinical setting, ureteroscopy would have better cost-utility profle than shock wave lithotripsy

Association between sex differences on foot health related to the quality of life in a sample of sedentary people

[Abstract] Sedentary (sitting) time may produce many anatomical and physiological consequences which are supposedly associated with a decreased quality of life (QoL) related to foot health. Accordingly, this study aimed to analyze the QoL impact on the overall health and the foot health among male and female sedentary people. A total of 312 participants with an age mean of 39.81 ± 15.40 years completed all phases of the study. In addition, self-reported data were registered. The participants' sedentary lifestyle was determined using the European Prospective Investigation into Cancer and Nutrition (EPIC) physical activity questionnaire. Furthermore, the scores obtained from the Portuguese version of the Foot Health Status Questionnaire were registered. Sedentary people in the equivalent metabolic energy had 301.09 ± 72.22 (min/week). In the first section, values were higher for foot pain and foot function and lower for general foot health and footwear. In the second section, values were higher for general health and vigor and lower for physical activity and social capacity. The differences between the sex groups of the study were statistically significant for footwear (P = 0.008), physical activity (P= 0.002), social capacity (P = 0.001) and vigor (P = 0.001) showing a worst QoL related to foot health in favor of male subjects in comparison with females. The rest of the domains did not show any statistically significant difference (P ≥ .01). The sedentary population evidenced a negative impact on the QoL related to foot health. This problem may be associated with this lifestyle, especially for males.[Resumo] O tempo sedentário (sentado) pode produzir muitas consequências anatômicas e fisiológicas que supostamente estão associadas a uma redução de qualidade de vida (QoL) relacionada à saúde do pé. Por conseguinte, o objetivo deste estudo foi analisar o impacto da QV sobre a saúde geral e a saúde do pé entre pessoas sedentárias masculinas e femininas. Uma amostra de 312 participantes com idade média de 39,81 ± 15,40 anos completou todas as fases do processo de estudo. Além disso, os dados autorrelatados foram registrados. O comportamento sedentário dos informantes foi determinado usando o questionário de prospecção prospectiva de câncer e nutrição (Epic). Além disso, os resultados obtidos com a versão em português do Questionário de Status de Saúde do Pé (PFHSQ) foram registrados. As pessoas sedentárias no equivalente de energia metabólica apresentaram 301,09 ± 72,22 (min/semana). Na primeira seção, os valores foram maiores para a dor no pé e função do pé e diminuíram a saúde e o calçado do pé geral. Na segunda seção, os valores foram maiores para saúde geral e vigor e menores para atividade física e capacidade social. As diferenças entre os grupos sexuais do estudo foram estatisticamente significativas para o calçado (P = 0,008), atividade física (P = 0,002), capacidade social (P = 0,001) e vigor (P = 0,001), mostrando uma pior QV relacionada à saúde do pé a favor dos sujeitos do sexo masculino em relação aos participantes sedentários femininos. O restante dos domínios não apresentou diferença estatisticamente significante (P ≥ 0,01). A população sedentária evidenciou um impacto negativo na QoL relacionada à saúde dos pés. Esse problema pode estar associado a este comportamento, especialmente no sexo masculino