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2005
Martins, R., Barquinha Pimentel Pereira Fortunato P. A. L. "Transport in high mobility amorphous wide band gap indium zinc oxide films." Physica Status Solidi (A) Applications and Materials Science. 202 (2005): R95-R97. AbstractWebsite

This paper discusses the electron transport in the n-type amorphous indium-zinc-oxygen system produced at room temperature by rf magnetron sputtering, under different oxygen partial pressures. The data show that the transport is not band tail limited, as it happens in conventional disordered semiconductors, but highly dependent on its ionicity, which explains the very high mobilities (≥ 60 cm 2 V -1 s -1) achieved. The room temperature dependence of the Hall mobility on the carrier concentration presents a reverse behaviour than the one observed in conventional crystalline/polycrystalline semiconductors, explained mainly by the presence of charged structural defects in excess of 4 × 10 10 cm -2 that scatter the electrons that pass through them. © 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chilibon, I., J. Marat-Mendes, R. Igreja, and C. J. Dias. "Ultrasound role in sol-gel processing of PbTiO(3) ceramics." Journal of Optoelectronics and Advanced Materials. 7 (2005): 2727-2735. Abstract
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Chilibon, I., J. Marat-Mendes, R. Igreja, and C. J. Dias. "Ultrasound role in sol-gel processing of PbTiO(3) ceramics." Journal of Optoelectronics and Advanced Materials. 7 (2005): 2727-2735. Abstract
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Fortunato, E., P. Barquinha, A. Pimentel, A. Goncalves, A. Marques, L. Pereira, and R. Martins Zinc oxide thin-film transistors. Eds. N. H. Nickel, and E. Terukov. Vol. 194. Zinc Oxide - A Material for Micro- and Optoelectronic Applications, 194., 2005. AbstractWebsite
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Barbosa, Joaquim, Silva C. Ribeiro, O. M. N. D. Teodoro, and Caetano Monteiro. "{Evaluation of Y2O3 as front layer of ceramic crucibles for vaccum induction melting of tial based alloys}." Proceedings of 2005 TMS Anual Meeting. San Francisco: TMS, 2005. 1-12. Abstract

During the last decades titanium alloys were found to be valuable engineering materials for many different applications. Formerly used in critical applications like aerospace, aeronautic and military equipment, where the factor cost is not relevant, titanium alloys are finding now new and different markets. However, the development of such new markets will depend on an effective cost reduction of titanium parts, in order to achieve a selling cost suitable with its application in consumer goods. A possible solution to decrease production costs might be the use of traditional casting techniques to produce near net shape functional parts. During the last years, the authors have developed extensive research work on this field, and a new technique both for melting and moulding, using ceramic multi-layered crucibles and investment casting shells was developed. This paper presents some of the results obtained during that research work: Ti-48Al alloy were melted and cooled inside CaO, MgO and Y O stabilized ZrO crucibles with inside layer of Y O . The chemical composition, hardness and microstructure at the metal-crucible interface, studied by secondary ion mass spectrometry, SEM/EDS and XRS are presented. On a second step, the same alloy was melted on the same crucibles, and poured into graphite moulds, and the crucibles wall was characterized by SEM/EDS and XRS.

Liu, Hua Rong, Pedro T. Gomes, Sandra I. Costa, Teresa M. Duarte, R. Branquinho, Anabela C. Fernandes, James C. W. Chien, R. P. Singh, and Maria M. Marques. "{Highly active new $\alpha$-diimine nickel catalyst for the polymerization of $\alpha$-olefins}." Journal of Organometallic Chemistry. 690 (2005): 1314-1323. Abstract

A new silylated $\alpha$-diimine ligand, bis[N,N′-(4-tert-butyl- diphenylsilyl-2,6-diisopropylphenyl)imino]acenaphthene 3, and its corresponding Ni(II) complex, {\{}bis[N,N′-(4-tert-butyl-diphenylsilyl-2,6- diisopropylphenyl)imino]acenaphthene{\}}dibromonickel 4, have been synthesized and characterized. The crystal structures of 3 and 4 were determined by X-ray crystallography. In the solid state, complex 4 is a dimer with two bridging Br ligands linking the two nickel centers, which have square pyramidal geometries. Complex 4, activated either by diethylaluminum chloride (DEAC) or methylaluminoxane (MAO) produces very active catalyst systems for the polymerization of ethylene and moderately active for the polymerization of propylene. The activity values are in the order of magnitude of 107 g PE (mol Ni [E] h)-1 for the polymerization of ethylene and of 105 g PP (mol Ni [P] h)-1 for the polymerization of propylene. NMR analysis shows that branched polyethylenes (PE) are obtained at room or higher temperatures and almost linear PE is obtained at 0°C with 4/DEAC. © 2004 Elsevier B.V. All rights reserved.

Pereira, L., P. Barquinha, E. Fortunato, and R. Martins. "{Influence of metal induced crystallization parameters on the performance of polycrystalline silicon thin film transistors}." Thin Solid Films. 487 (2005): 102-106. AbstractWebsite
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Milan, Jesper, and Octavio Mateus. " Jagten på Europas største dinosaur." Naturens Verden. 88(10) (2005): 2-13. Abstract
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2004
Pauleta, S. R., F. Guerlesquin, C. F. Goodhew, B. Devreese, J. VanBeeumen, AS Pereira, I. Moura, and G. W. Pettigrew. "Paracoccus pantotrophus pseudoazurin is an electron donor to cytochrome c peroxidase." Biochemistry. 43 (2004): 11214-25. AbstractWebsite

The gene for pseudoazurin was isolated from Paracoccus pantotrophus LMD 52.44 and expressed in a heterologous system with a yield of 54.3 mg of pure protein per liter of culture. The gene and protein were shown to be identical to those from P. pantotrophus LMD 82.5. The extinction coefficient of the protein was re-evaluated and was found to be 3.00 mM(-1) cm(-1) at 590 nm. It was confirmed that the oxidized protein is in a weak monomer/dimer equilibrium that is ionic-strength-dependent. The pseudoazurin was shown to be a highly active electron donor to cytochrome c peroxidase, and activity showed an ionic strength dependence consistent with an electrostatic interaction. The pseudoazurin has a very large dipole moment, the vector of which is positioned at the putative electron-transfer site, His81, and is conserved in this position across a wide range of blue copper proteins. Binding of the peroxidase to pseudoazurin causes perturbation of a set of NMR resonances associated with residues on the His81 face, including a ring of lysine residues. These lysines are associated with acidic residues just back from the rim, the resonances of which are also affected by binding to the peroxidase. We propose that these acidic residues moderate the electrostatic influence of the lysines and so ensure that specific charge interactions do not form across the interface with the peroxidase.

Fortunato, E. M. C., P. M. C. Barquinha, A. C. M. B. G. Pimentel, A. M. F. Goncalves, A. J. S. Marques, R. F. P. Martins, and L. M. N. Pereira. "Wide-bandgap high-mobility ZnO thin-film transistors produced at room temperature." Applied Physics Letters. 85 (2004): 2541-2543. AbstractWebsite
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Casimiro, T., F. Montilla, S. Garcia, T. Aviles, S. Raeissi, A. Shariati, C. J. Peters, M. N. da Ponte, and A. Aguiar-Ricardo. "Phase behaviour of the catalyst dicarbonyl (eta(5)-cyclopentadienyl)-cobalt in carbon dioxide." J Supercrit Fluid. 31 (2004): 1-8. AbstractWebsite

The phase behaviour of the binary mixture of carbon dioxide and the cobalt complex dicarbonyl(eta(5)-cyclopentadienyl)-cobalt, CPCo(CO)(2), has been investigated. This organometallic compound is one of the most effective catalysts of cyclotrimerization reactions of arylisocyanates and alkynes. Vapour-liquid equilibrium (VLE) measurements were undertaken in a static analytical apparatus at 313.15, 323.15 and 363.15 K at pressures up to 15 MPa. p, T isopleths were measured by a synthetic method in a Cailletet apparatus. Nine different compositions ranging from 17.56 to 94.23 mol% of CO2 were measured up to 15 MPa. Modelling with the Peng-Robinson equation of state (PR EOS) gave reasonable results in the correlation of the experimental phase equilibrium compositions using two temperature-dependent interaction parameters. (C) 2003 Elsevier B.V. All rights reserved.

Auchere, F., R. Sikkink, C. Cordas, P. Raleiras, P. Tavares, I. Moura, and JJG Moura. "Overexpression and purification of Treponema pallidum rubredoxin; kinetic evidence for a superoxide-mediated electron transfer with the superoxide reductase neelaredoxin." Journal of Biological Inorganic Chemistry. 9.7 (2004): 839-849. Abstract
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Fortunato, Elvira, Luı́s Pereira, Hugo Águas, Isabel Ferreira, and Rodrigo Martins. "{Flexible position sensitive photodetectors based on a-Si:H heterostructures}." Sensors and Actuators A: Physical. 116 (2004): 119-124. AbstractWebsite
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Auchere, F., R. Sikkink, C. Cordas, P. Raleiras, P. Tavares, I. Moura, and J. Moura. "{Overexpression and purification of Treponema pallidum rubredoxin; kinetic evidence for a superoxide-mediated electron transfer with the superoxide reductase neelaredoxin}." J Biol Inorg Chem. 9 (2004): 839-849. Abstract
{Superoxide reductases are a class of non-haem iron enzymes which catalyse the monovalent reduction of the superoxide anion O2- into hydrogen peroxide and water. Treponema pallidum (Tp), the syphilis spirochete, expresses the gene for a superoxide reductase called neelaredoxin, having the iron protein rubredoxin as the putative electron donor necessary to complete the catalytic cycle. In this work, we present the first cloning, overexpression in Escherichia coli and purification of the Tp rubredoxin. Spectroscopic characterization of this 6 kDa protein allowed us to calculate the molar absorption coefficient of the 490 nm feature of ferric iron
Pauleta, S. R., A. Cooper, M. Nutley, N. Errington, S. Harding, F. Guerlesquin, C. F. Goodhew, I. Moura, JJG Moura, and G. W. Pettigrew. "A copper protein and a cytochrome bind at the same site on bacterial cytochrome c peroxidase." Biochemistry. 43 (2004): 14566-14576. AbstractWebsite

Pseudoazurin binds at a single site on cytochrome c peroxidase from Paracoccus pantotrophus with a K-d of 16.4 muM at 25 degreesC, pH 6.0, in an endothermic reaction that is driven by a large entropy change. Sedimentation velocity experiments confirmed the presence of a single site, although results at higher pseudoazurin concentrations are complicated by the dimerization of the protein. Microcalorimetry, ultracentrifugation, and H-1 NMR spectroscopy studies in which cytochrome c550, pseudoazurin, and cytochrome c peroxidase were all present could be modeled using a competitive binding algorithm. Molecular docking simulation of the binding of pseudoazurin to the peroxidase in combination with the chemical shift perturbation pattern for pseudoazurin in the presence of the peroxidase revealed a group of solutions that were situated close to the electron-transferring heme with Cu-Fe distances of about 14 Angstrom. This is consistent with the results of H-1 NMR spectroscopy, which showed that pseudoazurin binds closely enough to the electron - transferring heme of the peroxidase to perturb its set of heme methyl resonances. We conclude that cytochrome c550 and pseudoazurin bind at the same site on the cytochrome c peroxidase and that the pair of electrons required to restore the enzyme to its active state after turnover are delivered one-by-one to the electron-transferring heme.

Bursakov, SA, OY Gavel, G. Di Rocco, J. Lampreia, J. Calvete, AS Pereira, JJG Moura, and I. Moura. "Antagonists Mo and Cu in a heterometallic cluster present on a novel protein (orange protein) isolated from Desulfovibrio gigas." JOURNAL OF INORGANIC BIOCHEMISTRY. 98 (2004): 833-840. Abstract
An orange-coloured protein (ORP) isolated from Desulfovibrio gigas, a sulphate reducer, has been previously shown by extended X-ray absorption fine structure (EXAFS) to contain a novel mixed-metal sulphide cluster of the type {[}S2MoS2CuS2MoS2] {[}J. Am. Chem. Soc. 122 (2000) 8321]. We report here the purification and the biochemical/spectroscopic characterisation of this novel protein. ORP is a soluble monomeric protein (11.8 kDa). The cluster is non-covalently bound to the polypeptide chain. The presence of a MoS42- moiety in the structure of the cofactor contributes with a quite characteristic UV-Vis spectra, exhibiting an orange colour, with intense absorption peaks at 480 and 338 nm. Pure ORP reveals an Abs(480)/Abs(338) ratio of 0.535. The gene sequence coding for ORP as well as the amino acid sequence was determined. The putative biological function of ORP is discussed. (C) 2003 Elsevier Inc. All rights reserved.
Fortunato, E., V. Assunção, A. Gonçalves, A. Marques, H. Águas, L. Pereira, I. Ferreira, P. Vilarinho, and R. Martins. "{High quality conductive gallium-doped zinc oxide films deposited at room temperature}." Thin Solid Films. 451-452 (2004): 443-447. AbstractWebsite
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Pereira, L., H. Águas, R. M. S. Martins, P. Vilarinho, E. Fortunato, and R. Martins. "{Polycrystalline silicon obtained by metal induced crystallization using different metals}." Thin Solid Films. 451-452 (2004): 334-339. AbstractWebsite
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Aguas, H., L. Perreira, R. J. C. Silva, E. Fortunato, and R. Martins. "Effect of the tunnelling oxide growth by H2O2 oxidation on the performance of a-Si : H MIS photodiodes." Materials Science and Engineering B-Solid State Materials For Advanced Technology. 109.1-3 (2004): 256-259. Abstract
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Moniz, António Discussão de temas de cenarização para a indústria automóvel para aplicação do método Delphi em Portugal[Discussion of scenario topics for the automotive industry to apply a Delphi method. University Library of Munich, Germany, 2004. Abstract

As was recently published in the GERPISA newsletter, one of the aims of the research for the new years will be the knowledge of interactions between the organisational company dynamics and the social-economical models of development. If one takes the example of the German exercise in the framework of FUTUR programme, one of the main thematic groups that emerged from the first discussions was preciselly “Mobility: individually atractive and socially sustainable”. Also the IMVP programme at MIT is taking these questions on the “visions for a sustainable future” theme. In the same way the WorTiS Project analysed several scenario topics on the issue of mobility and automotive industry. Those scenario topics are explained and justified in this research paper.

Zhang, S., L. Raniero, E. Fortunato, L. Pereira, N. Martins, P. Canhola, I. Ferreira, N. Nedev, H. Águas, and R. Martins. "{Characterization of silicon carbide thin films prepared by VHF-PECVD technology}." Journal of Non-Crystalline Solids. 338-340 (2004): 530-533. AbstractWebsite
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Pereira, L., H. Águas, R. M. Martins, E. Fortunato, and R. Martins. "{Polycrystalline silicon obtained by gold metal induced crystallization}." Journal of Non-Crystalline Solids. 338-340 (2004): 178-182. AbstractWebsite
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MC, Lanca, and Marat-MendeS J. "Dielectric breakdown statistics of polyethylene for progressively-censored data." Advanced Materials Forum Ii. Vol. 455-456. Materials Science Forum, 455-456. 2004. 602-605. Abstract
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MC, Lanca, Neagu ER, Neagu RM, Dias CJ, Marat-Mendes JN, and Das-Gupta DK. "Space charge studies in LDPE using combined isothermal and non-isothermal current measurements." IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION. 11 (2004): 25-34. Abstract
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