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2012
Vicente da Silva, M., and A. N. Antão. "A novel augmented Lagrangian based formulation for upper bound limit analysis." International Journal for Numerical Methods in Engineering. vol. 89.nº 12 (2012): pp. 1471-1496. Abstract

This paper describes a novel upper-bound formulation of limit analysis. This formulation is an innovative variant of an existing two-field mixed formulation based on the augmented Lagrangian method also developed by the authors. A natural approach is used to describe the deformation of each finite element. Furthermore, and in contrast to the previous formulation, two independent field approximations are now both used to define the velocity field, defined globally and at element level. It is shown that this feature allows a governing system of uncoupled linear equations to be obtained. Some numerical examples in plane strain conditions are presented in order to illustrate the current model performance. In conclusion, the potential and advantages of this new approach are discussed.

Vicente da Silva, M., and A. N. Antão. "A novel augmented Lagrangian-based formulation for upper-bound limit analysis." International Journal For Numerical Methods in Engineering. 89.12 (2012): 1471-1496. Abstract

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Palma, M. L., and J. P. Santos. "Nuclear spin–spin constants, rotational g factor and susceptibility of sulphur hexafluoride." Mol. Phys.. 110 (2012): 2163. AbstractWebsite

Following our previous study on spin–rotation and shielding constants of the SF6 molecule, the rotational g factor and the magnetic susceptibility are calculated here, using ab initio methods to evaluate the electronic contribution to the nuclear hyperfine constants, and compared with experimental results. It is shown, for the first time, that the electronic component of the rotational g factor is proportional to a constant, which is given by a sum over electronic states. We also evaluate for the SF6 molecule the indirect, or electron-coupled spin–spin interaction, theoretically described by Ramsey, and show that it gives non-negligible corrections to direct coupling constants d1 and d2. The contributions of the terms included in this interaction (DSO, PSO, SD and FC) are also analysed.

Barquinha, P., Martins Fortunato R. E. "N-type oxide semiconductor thin-film transistors." Springer Series in Materials Science. 156 (2012): 435-476. AbstractWebsite

This chapter gives an overview about GIZO TFTs, comprising an introductory section about generic TFT structure and operation, different semiconductor technologies for TFTs - with special emphasis on AOSs and particularly on GIZO - and then some experimental results obtained for GIZO TFTs fabricated in CENIMAT. Thin-film transistors (TFTs) are important electronic devices which are predominantly used as On/Off switches in active matrix backplanes of flat panel displays (FPDs), namely liquid crystal displays (LCDs) and organic light emitting device (OLED) displays. Even if a-Si:H is still dominating the TFT market in terms of semiconductor technology, oxide semiconductors are emerging as one of the most promising alternatives for the next generation of TFTs, bringing the possibility of having fully transparent devices, low processing temperature, low cost, high performance and electrically stable properties [1, 2]. Amorphous oxide semiconductors (AOS) such as Gallium-Indium-Zinc oxide (GIZO) [3, 4], even if fabricated at temperatures below 150°, are currently capable of providing transistors with field-effect mobility (μFE) exceeding 20 cm2V-1 s-1, threshold voltage (VT) close to 0V, On/Off ratios above 108, subthreshold swing (S) around 0:20V dec-1 and fully recoverable VT shift (ΔVT) lower than 0.5V after 24 h stress with constant drain current of 10 μA. © Springer-Verlag Berlin Heidelberg 2012.

Marques, Filipe J., and Carlos A. Coelho. "Near-exact distributions for the likelihood ratio test statistic of the multi-sample block-matrix sphericity test." Applied Mathematics and Computation. 219 (2012): 2861-2874. Abstract
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Almeida, Pedro, Yong Geng, Eugene Terentjev, and Maria Helena Godinho Necklaces of Liquid Crystal Beads: Nematic Drops Constrained on Thin Cellulosic Fibers. APS Meeting Abstracts., 2012. Abstract
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Palma, Angelina S., Yibing Zhang, Robert A. Childs, Maria A. Campanero-Rhodes, Yan Liu, Ten Feizi, and Wengang Chai. "Neoglycolipid-based "designer" oligosaccharide microarrays to define beta-glucan ligands for Dectin-1." Methods in molecular biology (Clifton, N.J.). 808 (2012): 337-59. Abstract
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Liu, Yan, Robert A. Childs, Angelina S. Palma, Maria A. Campanero-Rhodes, Mark S. Stoll, Wengang Chai, and Ten Feizi. "Neoglycolipid-based oligosaccharide microarray system: preparation of NGLs and their noncovalent immobilization on nitrocellulose-coated glass slides for microarray analyses." Methods in molecular biology (Clifton, N.J.). 808 (2012): 117-36. Abstract
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Mannion, PD, P. Upchurch, O. Mateus, RN Barnes, and M. E. H. Jonese. "New information on the anatomy and systematic position of Dinheirosaurus lourinhanensis (Sauropoda: Diplodocoidea) from the Late Jurassic of Portugal, with a review of European diplodocoids." Journal of Systematic Palaeontology. 10 (2012): 521-551. Abstract
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Santos, M. F. A., J. D. Seixas, A. C. Coelho, A. Mukhopadhyay, P. M. Reis, MJ Romão, C. C. Romão, and T. Santos-Silva. "New insights into the chemistry of fac-[Ru(CO)3]2 + fragments in biologically relevant conditions: The CO releasing activity of [Ru(CO)3Cl2(1,3-thiazole)], and the X-ray crystal structure of its adduct with lysozyme." Journal of Inorganic Biochemistry. 117 (2012): 285-291. Abstract
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Matos Filipe, L., T. G. Santos, S. Valtchev, J. Pamies Teixeira, and R. M. Miranda. "New method employing the electrical impedance for monitoring mechanical damage evolution in glass-reinforced: Applications to riveted joints." Materials and Design. 42 (2012): 25-31. Abstract
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Valtchev, Stanimir. "New Methodology for Structural Health Monitoring of GLARE in Ships." 15th International Conference on Experimental Mechanics (ICEM15), Porto. 2012. Abstract
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"New Methodology for Structural Health Monitoring of GLARE in Ships." 15th International Conference on Experimental Mechanics (ICEM15), Porto. 2012. Abstract
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Smith, AS, R. Araújo, and O. Mateus. "A new plesiosauroid from the Toarcian (Lower Jurassic) of Alhadas, Portugal." Acta Palaeontologica Polonica. 57 (2012): 257-266. Abstract
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Oliveira, L. B., C. M. Leitão, and M. M. Silva. "Noise Performance of a Regulated Cascode Transimpedance Amplifier for Radiation Detectors." Circuits and Systems I: Regular Papers, IEEE Transactions on. 59 (2012): 1841-1848. Abstract
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Mota, Pedro. "Normality assumption for the Log-return of the stock prices." Discussiones Mathematicae - Probability and Statistics. 32 (2012): 47-58. AbstractWebsite

The normality of the log-returns for the price of the stocks is one of the most important assumptions in mathematical finance. Usually is assumed that the price dynamics of the stocks are driven by geometric Brownian motion and, in that case, the log-return of the prices are independent and normally distributed. For instance, for the Black-Scholes model and for the Black-Scholes pricing formula [4] this is one of the main assumptions. In this paper we will investigate if this assumption is verified in the real world, that is, for a large number of company stock prices we will test the normality assumption for the log-return of their prices. We will apply the KolmogorovSmirnov [10, 5], the Shapiro-Wilks [17, 16] and the Anderson-Darling [1, 2] tests for normality to a wide number of company prices from companies quoted in the Nasdaq composite index.

Bras, Joana L. A., Victor D. Alves, Ana Luisa Carvalho, Shabir Najmudin, Jose A. M. Prates, Luis M. A. Ferreira, David N. Bolam, Maria Joao Romao, Harry J. Gilbert, and Carlos M. G. A. Fontes. "Novel Clostridium thermocellum Type I Cohesin-Dockerin Complexes Reveal a Single Binding Mode." The Journal of biological chemistry. 287 (2012): 44394-405.Website
Palma, M. L., and J. P. Santos. "Nuclear spin–spin constants, rotational g factor and susceptibility of sulphur hexafluoride." Molecular Physics. 110 (2012): 2163. AbstractWebsite

Following our previous study on spin–rotation and shielding constants of the SF6 molecule, the rotational g factor and the magnetic susceptibility are calculated here, using ab initio methods to evaluate the electronic contribution to the nuclear hyperfine constants, and compared with experimental results. It is shown, for the first time, that the electronic component of the rotational g factor is proportional to a constant, which is given by a sum over electronic states. We also evaluate for the SF6 molecule the indirect, or electron-coupled spin–spin interaction, theoretically described by Ramsey, and show that it gives non-negligible corrections to direct coupling constants d1 and d2. The contributions of the terms included in this interaction (DSO, PSO, SD and FC) are also analysed.

2011
Karlovich, Alexei Yu., Yuri I. Karlovich, and Amarino B. Lebre. "Necessary conditions for Fredholmness of singular integral operators with shifts and slowly oscillating data." Integral Equations and Operator Theory. 71.1 (2011): 29-53. AbstractWebsite

Suppose \(\alpha\) is an orientation-preserving diffeomorphism (shift) of \(\mathbb{R}_+=(0,\infty)\) onto itself with the only fixed points \(0\) and \(\infty\). In [KKL11] we found sufficient conditions for the Fredholmness of the singular integral operator with shift \[(aI-bW_\alpha)P_++(cI-dW_\alpha)P_-\] acting on \(L^p(\mathbb{R}_+)\) with \( 1 < p < \infty\), where \(P_\pm=(I\pm S)/2\), \(S\) is the Cauchy singular integral operator, and \(W_\alpha f=f\circ\alpha\) is the shift operator, under the assumptions that the coefficients \(a,b,c,d\) and the derivative \(\alpha'\) of the shift are bounded and continuous on \(\mathbb{R}_+\) and may admit discontinuities of slowly oscillating type at \(0\) and \(\infty\). Now we prove that those conditions are also necessary.

Folgosa, F., C. M. Cordas, J. A. Santos, AS Pereira, JJG Moura, P. Tavares, and I. Moura. "New spectroscopic and electrochemical insights on a class I superoxide reductase: evidence for an intramolecular electron-transfer pathway." Biochemical Journal. 438 (2011): 485-494. AbstractWebsite

SORs (superoxide reductases) are enzymes involved in bacterial resistance to reactive oxygen species, catalysing the reduction of superoxide anions to hydrogen peroxide. So far three structural classes have been identified. Class I enzymes have two ironcentre-containing domains. Most studies have focused on the catalytic iron site (centre II), yet the role of centre I is poorly understood. The possible roles of this iron site were approached by an integrated study using both classical and fast kinetic measurements, as well as direct electrochemistry. A new heterometallic form of the protein with a zinc-substituted centre I, maintaining the iron active-site centre II, was obtained, resulting in a stable derivative useful for comparison with the native all-iron from. Second-order rate constants for the electron transfer between reduced rubredoxin and the different SOR forms were determined to be 2.8 x 10(7) M(-1) . s(-1) and 1.3 x 10(6) M(-1) . s(-1) for SOR(Fe(IIII)-Fe(II)) and for SOR(Fe(IIII)-Fe(III)) forms respectively, and 3.2 x 10(6) M(-1) s(-1) for the SOR(Zn(II)-Fe(III)) form. The results obtained seem to indicate that centre I transfers electrons from the putative physiological donor rubredoxin to the catalytic active iron site (intramolecular process). In addition, electrochemical results show that conformational changes are associated with the redox state of centre I, which may enable a faster catalytic response towards superoxide anion. The apparent rate constants calculated for the SOR-mediated electron transfer also support this observation.

Graf, J., LL Jacobs, M. J. Polcyn, O. Mateus, and AS Schulp New fossil whales from Angola. 71st Annual Meeting of the Society of Vertebrate Paleontology. Abstracts of the 71st Annual Meeting of the Society of Vertebrate Paleontology, 2011.graf_et_al_mateus_2011_fossil_whales_from_angola_svp11abstracts.pdf
Steyer, J. S., O. Mateus, R. J. Butler, S. L. Brusatte, and J. H. Whiteside A new metoposaurid (temnospondyl) bonebed from the Late Triassic of Portugal. 71st Annual Meeting of the Society of Vertebrate Paleontology. Abstracts of the 71st Annual Meeting of the Society of Vertebrate Paleontology, 2011. Abstractsteyer_mateus_et_al_2011_._a_new_metoposaurid_temnospondyl_bonebed_from_the_late_triassic_of_portugal_svp11abstracts.pdf

The end-Triassic extinction event (ETE), considered one of the ‘Big Five’ mass extinctions, marks a dividing line between early Mesozoic vertebrate assemblages, typically including abundant temnospondyls, basal synapsids and basal archosaurs, and ‘typical’ Mesozoic faunas dominated by dinosaurs, pterosaurs, crocodylomorphs, turtles and mammaliaforms.
Recent geochemical work has provided strong evidence that the ETE is synchronous with, and likely caused by, the emplacement of the Central Atlantic magmatic province (CAMP).
However, stratigraphic sections containing both terrestrial vertebrates and CAMP basalts are scarce, complicating attempts to examine terrestrial faunal changes during this extinction event. The Triassic–Jurassic Algarve Basin, southern Portugal, is an extensional rift basin

to-marginal marine red beds (the ‘Grés de Silves’ Group) interbedded with CAMP basalts.

bonebed from the interval ‘AB1’ of the Grés de Silves. Preliminary excavations yielded at least nine well-preserved temnospondyl individuals represented by partial to nearly complete skulls and disarticulated postcranial elements of juvenile to adult ages. Nearly all material appears to represent a single species of metoposaurid referable to the genus Metoposaurus, well known from the late Carnian–early Norian of Germany and Poland. A number of characters of the occiput and mandible suggest that the Algarve material may represent a new species. This new material provides new data on the diversity and paleogeographical distribution of the metoposaurids, a highly autapomorphic and peculiar group composed of large aquatic carnivores with a unique elongated but brevirostral skull. This taxon also provides

Horizon may be within or close to the late Carnian–early Norian. Additional bone-bearing horizons within the ‘Grés de Silves’ provide a rare opportunity to examine terrestrial faunal change in the lead-up to the ETE.

Mateus, O., R. Araújo, C. Natário, and R. Castanhinha. "A new specimen of the theropod dinosaur Baryonyx from the early Cretaceous of Portugal and taxonomic validity of Suchosaurus." Zootaxa. 2827 (2011): 54-68. Abstractmateus_et_al_2011_a_new_specimen_of_the_theropod_dinosaur_baryonyx_from_the_early_cretaceous_of_portugal_and_taxonomic_validity_of_suchosaurus.pdf

Although the Late Jurassic of Portugal has provided abundant dinosaur fossils, material from the Early Cretaceous is scarce. This paper reports new cranial and postcranial material of the theropod dinosaur Baryonyx walkeri found in the Barremian (Papo Seco Formation) of Portugal. This specimen, found at Praia das Aguncheiras, Cabo Espichel, consists of a partial dentary, isolated teeth, pedal ungual, two calcanea, presacral and caudal vertebrae, fragmentary pubis, scapula, and rib fragments. It represents the most complete spinosaurid yet discovered in the Iberian Peninsula and the most complete dinosaur from the Early Cretaceous of Portugal. This specimen is confidently identified as a member of Baryonychinae due to the presence of conical teeth with flutes and denticles in a dentary rosette. The specimen ML1190 shares the following characteristics with Baryonyx walkeri: enamel surface with small (nearly vertical) wrinkles, variable denticle size along the carinae, 6–7 denticles per mm, wrinkles forming a 45 degree angle near the carinae, and tooth root longer than crown. In addition, dubious taxa based on teeth morphology such as Suchosaurus cultridens (Owen, 1840–1845), and Suchosaurus girardi (Sauvage 1897–98; Antunes & Mateus 2003) are discussed, based on comparisons with well-known material such as Baryonyx walkeri Charig & Milner, 1986. Suchosaurus cultridens and S. girardi are considered as nomina dubia due to the lack of diagnostic apomorphies, but both specimens are referred to Baryonychinae incertae sedis.

Ivanova, Galya, Margarita Simeonova, Eurico J. Cabrita, and Maria Rangel. "NMR Insight into the Supramolecular Structure of Daunorubicin Loaded Polymer Nanoparticles." Journal of Physical Chemistry B. 115 (2011): 902-909. Abstract
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