AMS and IRM studies in the late-variscan Santa Eulália Plutonic Complex (Ossa-Morena Zone, Portugal)

The Santa Eulália Plutonic Complex (SEPC) is a calc-alkaline granitic body, with an area of 400 km2, and is located in the north of the Ossa Morena Zone of the Variscan Iberian sector, near the limit with the Central Iberian Zone. SEPC is considered late-Variscan because it cross-cuts the regional variscan structures. The host rocks are metamorphic formations from Upper Proterozoic to Lower Paleozoic. The SEPC has two main granitic facies with different compositions and textures. From the rim to the core, there is a medium-to coarse-grained pink granite (G0), which involves large elongated masses of mafic to intermediate rocks (M); and a central grey monzonitic granite (G1) which presents a dominant medium granular facies, and also a slight porphyritic texture close to G0. AMS and IRM studies were conducted to characterise these rocks, from 61 sampling sites: 29 in G0, 27 in G1 and 5 in M. The Km values range between 41.6 and 7343.7 x 10-6 SI in granitic rocks: G0, with Km > 10-3 SI (mean: 1357.4 x 10-6 SI) which supports the presence of magnetite, and G1 with Km< 10-4 SI (mean: 97.0 x 10-6 SI). In M, Km values are homogeneous with a mean of 620.9 x 10-6 SI. The magnetic anisotropy (P%) and the ellipsoid shape (T) were only determined in granites. The mean values of P% are 6.2% and 3.1% in G0 and G1, respectively. T shows the strongest oblate ellipsoids in central G1 (mean: 0.365) and slightly oblate in G0 (mean: 0.099). The magnetic foliations are subvertical ENE-WSW-striking in G0 and G1. Magnetic lineations are subvertical in G0 and moderately plunge to the SE in G1.The saturation IRM (SIRM) mean values are 9.345 A/m in G0, 0.027 A/m in G1 and 2.634 A/m in M. In G0 and M, the IRM acquisition curves show saturation between 0.3 and 0.4 T, followed by a small increase in increasing fields, suggesting that the main carrier of remanence is low magnetite or Ti-magnetite. In G1, the acquisition curves demonstrate paramagnetic and antiferromagnetic fractions, but a small magnetite fraction can also be present. SIRM/K have mean values of 7.119 kA/m, 0.298 kA/m and 3.425 kA/m for Go, G1 and M, respectively. The AMS and SIRM data support that G0 and G1 have a distinct magnetic behaviour. G0 is controlled by a ferrimagnetic fraction. G1, with Km< 10-4 SI, shows a paramagnetic behaviour due to ferromagnesian minerals, such as biotite and ilmenite. In M, Km is typical of gabbros and granodiorites and is due to the high contents of ferromagnesian minerals. The magnetic behaviours of G0 and G1 suggest different redox conditions in the magma genesis. Magnetic anisotropy is higher in G0 due to the presence of magnetite, but microscope observations also show signs of a post-magmatic deformation in G0. Although magnetic foliations are subvertical ENE-WSW-striking in both granites, magnetic lineations are different. The differences reflect distinct redox processes at magmatic sources and different emplacement mechanisms of M, G0 and G1

Two-scalar-field model for the interaction of dark energy and dark matter

In this paper, we study the effects of an interaction between dark matter and dark energy through a two scalar field model with a potential $V(\phi,\chi)=e^{-\lambda\phi}P(\phi,\chi)$, where $P(\phi,\chi)$ is a polynomial. We show that the cosmic expansion dynamics of the Universe is reproduced for a large range of the bare mass of the dark matter field and that there exist solutions with transient accelerated expansion. A modification in the exponential behavior of the potential is studied, with important physical implications, including the possibility of more realistic transient acceleration solutions.Comment: Version to match the one published in Physical Review D, 8 pages, 11 figure

A continuous-stress tetrahedron for finite strain problems

A finite-strain tetrahedron with continuous stresses is proposed and analyzed. The complete stress tensor is now a nodal tensor degree-of-freedom, in addition to displacement. Specifically, stress conjugate to the relative Green-Lagrange strain is used within the framework of the Hellinger-Reissner variational principle. This is an extension of the Dunham and Pister element to arbitrary constitutive laws and finite strain. To avoid the excessive continuity shortcoming, outer faces can have null stress vectors. The resulting formulation is related to the nonlocal approaches popularized as smoothed finite element formulations. In contrast with smoothed formulations, the interpolation and integration domain is retained. Sparsity is also identical to the classical mixed formulations. When compared with variational multiscale methods, there are no parameters. Very high accuracy is obtained for four-node tetrahedra with incompressibility and bending benchmarks being successfully solved. Although the ad-hoc factor is removed and performance is highly competitive, computational cost is high, as each tetrahedron has 36 degrees-of-freedom. Besides the inf-sup test, four benchmark examples are adopted, with exceptional results in bending and compression with finite strains

Molecular Modelling of a novel G-quadruplex structure and its interaction with ligands

DNA can exist under many different forms. Lately, G-quadruplexes, which are one example of the non-canonical DNA forms, have been getting a lot of attention due to the role they play in certain biological processes and as potential targets for therapeutic interventions. For example, these structures can exist in certain parts of the telomeres, structures responsible for cell replication. In cancer cells, if the enzyme telomerase could be inhibited, by inducing the formation of a G-quadruplex structure in guanine-rich telomere sequences, the spread of cancer cells would cease. For this and other reasons, it becomes important to be able to induce the formation of G-quadruplex structures and/or stabilize them, and one of the ways of doing so consists of targeting these sequences with ligands that have good affinity to G-quadruplex structures. However, few G-quadruplex ligands demonstrated the needed properties to fulfill the clinical needs, and further efforts to determine which would be better suited to target any particular sequence are needed. This work aimed at comparing the affinity to the pre-miR-149 G-quadruplex structure of seven promising ligands found in the literature, through the latest techniques fit for that purpose. The seven ligands tested were: [16]phenN2, [32]phen2N4, phen-DC3, pyridostatin, acridine orange derivatives C8 and C8-NH2 and L-arginine. Firstly, they underwent computational tests, with the molecular structure of the quadruplex and the ligand being simulated, and their optimal binding site and conformation found. Their binding energies were compared, and they underwent molecular dynamics runs to simulate their behavior in an environment with solvent, followed by another binding energy comparison. The trend obtained in order of decreasing binding affinity was: pyridostatin > [32]phen2N4 > [16]phenN2 > Phen-DC3 > L-arginine > C8 > C8-NH2. Biophysical techniques were then performed, to determine the binding affinities experimentally. First, circular dichroism spectroscopy and melting studies (performed on four ligands) established the following trend: C8 > pyridostatin > C8-NH2 > [16]phenN2. Fluorescence spectroscopy titration (performed on three) revealed a similar trend: C8 > C8-NH2 > [16]phenN2. Lastly, affinity chromatography experiments were held to test how other DNA sequences would bind to C8-NH2. The results revealed that the ligand has better binding affinity with parallel quadruplexes over antiparallel ones, and poor binding with a duplex sequence. Overall, the best ligands identified for binding to the G-quadruplex structure were the acridine orange derivatives C8 and C8-NH2, and pyridostatin. These three ligands should be considered prime candidates for further research in this area.ADN pode existir sob a forma de diversas estruturas, contrariamente ao que a vasta maioria da população pensa, ao imaginar a dupla hélice de Watson e Crick. Uma das formas que tem sido mais investigada ultimamente consiste no G-quadruplex. Esta estrutura não canónica do DNA ocorre quando guaninas se emparelham e organizam em estruturas cíclicas através de pontes de hidrogénio Hoogsteen, chamadas G-quartetos. Estas estruturas formam-se por empilhamento p-p entre elas próprias, originando o G-quadruplex, desde que haja um catião (preferivelmente K+) para assumir uma localização central entre todos os quartetos. Estas estruturas desempenham funções importantes a nível de regulação da transcrição e replicação do DNA. Alguns estudos indicam também que podem ser relevantes a nível de manutenção do DNA, e que várias secções do DNA humano se encontram num estado de equilíbrio entre a forma de G-quadruplex e duplex. São também considerados alvos para certas abordagens terapêuticas a nível do cancro. Por exemplo, vários oncogenes como c-kit e c-myc têm a capacidade de formar G-quadruplexes nos seus promotores. Controlando a forma que estes genes assumem, seria possível controlar a sua transcrição, e possivelmente impedir a formação de cancro. Outra possibilidade cinge-se à inibição da telomerase, uma enzima responsável pela replicação celular, que está sobreexpressa em células cancerígenas. Se uma parte do telómero assumir uma estrutura em G-quadruplex, a ação desta enzima fica inibida, efetivamente parando a progressão do cancro. Portanto, torna-se necessário induzir e estabilizar a formação de estruturas do G-quadruplex. A estratégia é utilizar ligandos que interajam por interações intermoleculares de forma a estabilizar a estrutura do G-quadruplex, e outra topologia que esteja em equilíbrio. No entanto, analisando a literatura, conclui-se que apenas alguns grupos de ligandos são efetivamente ligandos de G-quadruplex. Este trabalho de investigação teve como objetivo comparar 7 ligandos promissores da estrutura de G-quadruplex designada por pre-miR-149 literatura. Os ligandos selecionados foram macrociclos derivados de fenantrolina ([16]phenN2, [32]phen2N4, Phen-DC3, e derivados de laranja de acridina C8 e C8-NH2. Determinou-se a afinidade e a estabilização destes ligandos com a estrutura do RNA G-quadruplex, a pre-miR-149. Isso será feito em duas etapas principais. Primeiro, foram realizadas simulações computacionais para determinar quais os ligandos mais promissores e quais os seus métodos de interação com a estrutura G-quadruplex. Estas dividiram-se em três passos: primeiro, foram geradas as estruturas da sequência e de cada ligando em software adequado. Segundo, foram feitas simulações de docking de modo a averiguar os locais de ligação de cada ligando ao G-quadruplex, e a conformação e interações entre o ligando e o quadruplex, sendo também calculadas energias de ligação entre o ligando e o G-quadruplex. Finalmente, foram feitas simulações de dinâmica molecular sobre como essa conformação evoluiria num ambiente fisiológico simulado e calculadas novas energias de ligação, que comparadas entre si, revelam diferenças de afinidades entre os ligandos. Após estas técnicas computacionais, foram executadas técnicas biofísicas, como espetroscopia de dicroísmo circular e estudos de desnaturação térmica, e espectroscopia de fluorescência para determinar experimentalmente as afinidades de cada ligando para com a estrutura escolhida. Foram também executadas experiências de cromatografia de afinidade para determinar o comportamento de um ligando para com sequência do RNA G-quadruplex, a pre-miR-149. O programa usado para avaliar as conformações iniciais gerou estruturas demasiado rígidas e pouco flexíveis com os ligandos macrocíclicos [16]phenN2 e [32]phen2N4. As energias de ligação obtidas revelaram a nível de afinidade a seguinte ordem decrescente: piridostatina > [32]phen2N4 > [16]phenN2 > PhenDC3 > L-arginina > C8 > C8-NH2. Esta tendência não foi a mesma verificada experimentalmente, e logo, foi descartada. A nível destas experiências, retiram-se maioritariamente apenas as conformações dos ligandos que não são macrociclos. A nível das experiências de dicroísmo circular mencionadas, as variações de temperatura de desnaturação térmica ligando-quadruplex foram diferentes,verificando-se a seguinte ordem: C8 > piridostatina > C8-NH2 > [16]phenN2. Seguidamente, foram realizadas titulações por espectroscopia de fluorescência as quais revelaram a seguinte tendência: C8 > C8-NH2 > [16]phenN2. De notar que apenas quatro dos sete ligandos ([16]phenN2, [32]phen2N4, C8 and C8-NH2) possuíam fluorescência intrínseca, e que desses, apenas estes três puderam ser selecionados. Estes resultados mostraram que a piridostatina, e derivados de laranja de acridina C8 e C8-NH2 apresentaram maior afinidade para esta estrutura de G-quadruplex. Por último, os resultados de cromatografia de afinidade revelaram que o ligando C8-NH2 tem maior afinidade com o RNA G-quadruplex pre-miR-149 . Das seis sequências testadas, três delas (c-myc, c-kit e pre-miR-149) formam G-quadruplexes com topologia paralela, e tiveram tempos de retenção mais altos. Outras sequências (TBA e AG23) formam G-quadruplexes com topologia antiparalela, e mostram tempos de retenção mais baixos. A sequência ds26 (duplex) teve o tempo de retenção mais baixo. Conclui-se que este ligando tem maior especificidade para com G-quadruplexes com topologia paralela em detrimento do duplex. As simulações de docking corroboram esta conclusão. Deste modo, conclui-se que os melhores ligandos a nível de afinidade para com a sequência pre-miR-149 são os derivados de laranja de acridina C8 e C8-NH2 e a piridostatina, de modo que futura investigação nesta área deve considerar estes três como fortes candidatos a ligandos de RNA G-quadruplex

Petrophysical and geochemical characterization of the late-variscan Santa Eulália Plutonic Complex (Ossa-Morena Zone, Portugal)

The Santa Eulália Plutonic Complex (SEPC) is a calc-alkaline granitic body located in the northern part of the Ossa Morena Zone, composed by a medium- to coarse-grained pink granite (G0 group) involving large elongated masses of mafic (gabbroic) to intermediate (granodioritic) rocks, M group, and a central gray monzonitic granite (G1 group) which present dominant medium granular facies. A multidisciplinary study, including petrophysical, AMS and IRM measurements, and geochemical data, elemental and isotopic (Nd and 18O), point out differences in magnetic behaviour, magnetic lineations patterns and geochemical features, reflecting distinct petrogenetic processes at the level of the magmatic sources and evolution, as well as the emplacement mechanisms of M, G0 and G1 facies associated in the SEPC

Criteria Assessment of Energy Carrier Systems Sustainability

The sustainability assessment of an energy conversion process into electrical energy is carried out in technological, economical, environmental and social dimensions. A solid basis for a state-of-the-art interdisciplinary assessment using data obtained from the literature supports the sustainability comparison. Thus, indicators that best describe the technologies and that are related to each of the abovementioned dimensions are defined to quantify the sustainability of energy carrier systems. These indicators are: efficiency of electricity generation, lifetime, energy payback time, capital cost, electricity generation cost, greenhouse gases emissions during full life cycle of the technology, land requirements, job creation and social acceptance.info:eu-repo/semantics/publishedVersio

Non-linear effects in early Universe cosmology

PhD thesisIn this thesis, we discuss several instances in which non-linear behaviour affects cosmological evolution in the early Universe. We begin by reviewing the standard cosmological model and the tools used to understand it theoretically and to compute its observational consequences. This includes a detailed exposition of cosmological perturbation theory and the theory of inflation. We then describe the results in this thesis, starting with the non-linear evolution of the curvature perturbation in the presence of vector and tensor fluctuations, in which we identify the version of that variable that is conserved in the most general situation. Next, we use second order perturbation theory to describe the most general initial conditions for the evolution of scalar perturbations at second order in the standard cosmological model. We compute approximate solutions valid in the initial stages of the evolution, which can be used to initialize second order Boltzmann codes, and to compute many observables taking isocurvature modes into account. We then move on to the study of the inflationary Uiniverse. We start by analysing a new way to compute the consequences of a sudden transition in the evolution of a scalar during inflation. We use the formalism of quantum quenches to compute the effect of those transitions on the spectral index of perturbations. Finally, we detail the results of the exploration of a multi- field model of inflation with a non-minimal coupling to gravity. We study popular attractor models in this regime in both the metric and the Palatini formulations of gravity and fi nd all results for both the power spectrum and bispectrum of fluctuations to closely resemble those of the single- field case. In all systems under study we discuss the effects of non-linear dynamics and their importance for the resolution of problems in cosmology.Queen Mary Principal's Research StudentshipBolsa de Excel^encia Acad emica of the Funda c~ao Eug enio de Almeida from 2014 to 2017Funda c~ao para a Ci^encia e Tecnologia (FCT) grant SFRH/BD/118740/2016 from 2017 to 201

Contribution for a better understanding of the technological sustainability in electrical energy production through photovoltaic cells

The conversion of solar energy into electricity reveals a huge importance in the production of “clean” energy , mainly when applied to decentralized production systems (micro-generation). However, there is the need to develop and optimize these processes in order to turn it more sustainable in economic and technological scoops. The main purpose of this work is to study the solar energy conversion into electricity through photovoltaic cells, characterizing the process efficiencies. This study intends to evaluate the energetic and exergetic efficiencies defining them as indicators in the formulation of a sustainability index. All the procedures are in a theoretical scope with an illustrative example in the end of this work.info:eu-repo/semantics/publishedVersio

Sustainability quantification of renewable energy conversion systems for electricity supply

The sustainability of renewable energy conversion systems for electricity supply is quantified and compared. The energy conversion systems considered are: wind, photovoltaic, geothermal, hydro, hydrogen, ocean (wave and tidal power) and nuclear. The sustainability analysis is performed covering technological, economic, environmental and social aspects. The indicators selected to characterize and quantify the sustainability of each subgroup are: efficiency, lifetime, electricity generation cost, capital cost, CO2 emissions, area occupied, employment creation and social acceptance. Membership functions are applied to determine the sustainability index that quantifies how sustainable is each energy conversion system depending on the most relevant indicator. This procedure includes a weighting coefficient that varies in each case study to magnify the importance of one indicator relatively to the others. Sustainability indices are compared in order to assess the energy conversion systems mix for electricity supply more sustainable now and in the near future. Comparing the several case studies, the global sustainability indicators suggest that the mix of energy conversion systems for electricity supply should be based on hydro, wind and nuclear systems.info:eu-repo/semantics/publishedVersio

Multidisciplinary study of Santa Eulália Plutonic Complex (Central Portugal): Preliminary insight.

Multidisciplinary study of Santa Eulalia Plutonic Complex (Central Portugal): Preliminary insight H. SANT’OVAIA1*, J. CARRILHO LOPES2 AND P. NOGUEIRA2 1DGAOT, Centro de Geologia, FCUP, Portugal (*correspondence: [email protected]) 2Dep. Geo., Univ. Évora, Centro de Geologia UL, Portugal The Santa Eulália Plutonic Complex (SEPC) is a late- Variscan calcalkaline granitic body that occupies an area of 400 km2 and is located in the Variscan Iberian sector. The host rocks of the complex are composed by metamorphic formations from Proterozoic to Lower Paleozoic. The SEPC has two main facies which present different compositions and textures. From the rim to the core, there is a medium- to coarse-grained pinkish granite (G0) involving large masses of mafic to intermediate rocks and a central gray monzonitic granite (G1). The central facies can be divided into a porphyritic facies (G1A) and a central medium-grained facies (G1B). Multidisciplinary studies that include petrography, mineral and whole-rock chemistry, Anisotropy of Magnetic Susceptibility (AMS) and microstructural analyses were carried out. Besides petrographic and mineral chemistry data, whole-rock analytical results reveal clear differences between these two main granitic facies. G0 granites represent more evolved liquids (>SiO2 wt.% and <MgO wt.%), plot closer to metaluminous and A-type fields, and present negative Eu anomalies, while G1 facies are typically monzonitic granites with a strong peraluminous character. The AMS study was based on 50 sampling sites. The magnetic susceptibility ranges between 55.09 and 7343.67 x 10-6 SI. Two major groups can be established: facies G0, with Km > 10-3 SI which supports the presence of magnetite, and the central facies (G1A, G1B) with Km< 10-4 SI. In the central facies the paramagnetic behaviour is due to ferromagnesian minerals, such as biotite, and ilmenite. Magnetic anisotropy ranges between 2.2 and 18.2% being in mean >5% in facies G0 and <4% in the central facies. The high P% in G0 facies may be caused by the magnetic bearer, magnetite. Nevertheless, microscope observations show signs of a post-magmatic deformation in G0. These preliminary data support that the facies G0 and the central facies (G1) have a distinct magnetic behaviour which may suggest different redox conditions in magma genesis. This work has been financially supported by PTDC/CTEGIX/ 099447/2008 (FCT-Portugal, COMPETE/FEDER)