Potential dementia biomarkers based on the time-varying microstructure of sleep EEG spindles - Ktonas, PY; Golemati, S.; Xanthopoulos, P.; Sakkalis, V.; Ortigueira, M.D.; Tsekou, H.; Zervakis, M.; Paparrigopoulos, T.; Soldatos, CR (2007 29th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, 2007)
The time-varying microstructure of sleep EEG spindles may have clinical significance in dementia studies. In this work, the sleep spindle is modeled as an AM-FM signal and parameterized in terms of six parameters, three quantifying the instantaneous envelope (IE) and three quantifying the instantaneous frequency (IF) of the spindle model. The IE and IF waveforms of sleep spindles from patients with dementia and normal controls were estimated using the time-frequency technique of complex demodulation (CD). Sinusoidal curve-fitting using a matching pursuit (MP) approach was applied to the IE and IF waveforms for the estimation of the six model parameters. Specific differences were found in sleep spindle instantaneous frequency dynamics between spindles from dementia subjects and spindles from controls.
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Pseudo-fractional ARMA modelling using a double Levinson recursion - Ortigueira, M.D.; Serralheiro, A.J. (IET Control Theory & Applications, 2007)
The modelling of fractional linear systems through ARMA models is addressed. To perform this study, a new recursive algorithm for impulse response ARMA modelling is presented. This is a general algorithm that allows the recursive construction of ARMA models from the impulse response sequence. This algorithm does not need an exact order specification, as it gives some insights into the correct orders. It is applied to modelling fractional linear systems described by fractional powers of the backward difference and the bilinear transformations. The analysis of the results leads to propose suitable models for those systems.
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Remote laboratories support within teaching and learning activities - Gomes, L.; Coito, F.; Costa, A.; Palma, L.; Almeida, P. (International Conference on Remote Engineering and Virtual Instrumentation, 2007)
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Revisiting the Initial Conditions Problem in Fractional Linear Systems - Manuel Ortigueira; Fernando Coito (Symposium on Applied Fractional Calculus (SAFC07), 2007)
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Revisiting the initial conditions problem in fractional linear systems - Ortigueira, M.; Coito, F. (2007)
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Riesz Potentials as Centred Derivatives - Ortigueira, M.D. (Advances in Fractional Calculus, 2007)
Generalised fractional centred differences and derivatives are studied in this Chapter. These generalise to real orders the existing ones valid for even and odd positive integer orders. For each one, suitable integral formulations are presented. The limit computation inside the integrals leads to generalisations of the Cauchy derivative. Their computations using a special path lead to the well known Riesz potentials. A study for coherence is done by applying the definitions to functions with Fourier transform. The existence of inverse Riesz potentials is also studied.
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Simulation, emulation and remote experiments - Coito, F.; Gomes, L.; Costa, A. (Proceedings of the Workshop on using VR in Education, Lisboa, 2007)
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Structural and electron paramagnetic resonance (EPR) studies of mononuclear molybdenum enzymes from sulfate-reducing bacteria (vol 39, pg 793, 2006) - Brondino, Carlos D.; Rivas, Maria G.; Romao, Maria J.; Moura, Jose J. G.; Moura, Isabel (Accounts of Chemical Research, 2007)
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Times Cited: 0 Romao, Maria/A-4115-2013; Moura, Jose/D-6426-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013 Romao, Maria/0000-0002-3004-0543; 0

A study on Portuguese manuscript illumination: The Charter of Vila Flor (Flower town), 1512 - Moura, Laura; Melo, Maria Joao; Casanova, Conceicao; Claro, Ana (Journal of Cultural Heritage, 2007)
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Times Cited: 8 Melo, Maria Joao/C-8594-2011; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Melo, Maria Joao/0000-0001-7393-6801; 8

Superoxide Reductases - Pereira, Alice S.; Tavares, Pedro; Folgosa, Filipe; Almeida, Rui M.; Moura, Isabel; Moura, José J. G. (European Journal of Inorganic Chemistry, 2007)
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Keywords: Bioinorganic chemistry; Nonheme iron centres; Structure-activity relationships; Superoxide

Synthesis of $γ$-amino acid analogues from natural $α$-amino acids by a radical pathway - Corvo, Mc; Pereira, M. M. A. (Amino acids, 2007)
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Teaching, learning, and remote laboratories - Gomes, L.; Coito, F.; Costa, A.; Palma, L. B. (Advances on remote laboratories and e-learning experiences, 2007)
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Tracking local conformational changes of ribonuclease A using picosecond time-resolved fluorescence of the six tyrosine residues - Noronha, Melinda; Lima, Joao C.; Paci, Emanuele; Santos, Helena; Macanita, Antonio L. (Biophysical Journal, 2007)
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{Globalization processes of value chains in clothing industry in Portugal: implication in the working structures} - António Brandão Moniz; Ana V. Silva; Woll, Tobias; José J. Sampaio (HAL, 2007)
Some of the phenomena where the “globalization” concept is applied include the internationalization of markets, globalization of culture, polítical hegemony of world by some states, or groups of states, the increasing power of supranational institutions, and the development of a global division of labour. A starting point to understand the global division of work is the study of how companies are re-structuring, once they are the key-actors in the decision on which work should be found and where. The “value chains” describe each step in the productive process of a final product or service. Separated units of value chains can be in the same company (in-house) or in different companies (outsourced). Similarly they can be in a same local, or in other location. Normalization of business processes, combined with digitalization of information and the development of telecommunication networks made possible the tele-mediated work. This paper presents results from the European WORKS project, where are studied Portuguese cases of firms that integrate globalized value chain, and are analized the implications on work organization models and the (new) professional structures.
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Keywords: clothing industry; Europe; globalisation; Portugal; textile industry; value chains

{In-situ study of Ni\{$\backslash$textendash\}Ti thin film growth on a TiN intermediate layer by X-ray diffraction} - R. Martins; Schell, N.; Silva, R.; L. Pereira; MAHESH, K; FERNANDES, F (Sensors and Actuators B: Chemical, 2007)
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{Main features of the labour policy in Portugal} - António Moniz; Woll, Tobias (University Library of Munich, Germany, 2007)
In this working paper is presented information on the Portuguese labour market developed with the support of the European project WORKS-“Work organisation and restructuring in the knowledge society”. Is still a on the process article and thus commentaries are welcome. The structure is based on the following topics: a) The employment policy (Time regimes - time use, flexibility, part-time work, work-life balance -, and the work contracts regimes – wages, contract types, diversity); b) Education and training (skilling outcomes, rules on retraining and further training, employability schemes, transferability of skills); c) Equal opportunities (relevance of equal opportunity regulation for restructuring outcomes, the role of gender and age regulation); d) Restructuring effects (policy on transfer of personnel, policy on redundancies, and participation or voice in restructuring).
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Keywords: Education; employment; gender; knowledge society; labour market; Policy; work organisation

{Main features of the labour policy in Portugal} - Moniz, António B.; Woll, Tobias (Universidade Nova de Lisboa, IET/CICS.NOVA-Interdisciplinary Centre on Social Sciences, Faculty of Science and Technology, 2007)
In this working paper is presented information on the Portuguese labour market developed with the support of the European project WORKS-“Work organisation and restructuring in the knowledge society”. Is still a on the process article and thus commentaries are welcome. The structure is based on the following topics: a) The employment policy (Time regimes - time use, flexibility, part-time work, work-life balance -, and the work contracts regimes – wages, contract types, diversity); b) Education and training (skilling outcomes, rules on retraining and further training, employability schemes, transferability of skills); c) Equal opportunities (relevance of equal opportunity regulation for restructuring outcomes, the role of gender and age regulation); d) Restructuring effects (policy on transfer of personnel, policy on redundancies, and participation or voice in restructuring).
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Keywords: Education; employment policy; gender; knowledge society; labour market; work organisation

{The Collaborative Work Concept and the Information Systems Support: Perspectives for and from Manufacturing Industry} - António Moniz (University Library of Munich, Germany, 2007)
Most of the discussion and controversy on organisation of work concepts has been referenced to the manufacturing industry along the 20th century: it started with the concept of “scientific management” from Taylor, and continued with the new ideas on the importance of human factors as Mayo pointed out in the 1930s. Immediately after the 2nd World War Friedmann studied the human problems related to new manufacturing technologies and automation. And the late 1950 and 1960s were decades of strong debate on the socio-technics with the research at Tavistock Institute of London and the emergence of national programmes on new forms of work organisation. At the end of the last century the concept of collaborative work was developed together with the definition(s) of information systems and organisational design. However, the interest came from other production activities, like the services. This article analyses the approaches developed on these debates on the collaborative work and information system and its application to the manufacturing industry.
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Keywords: Collaborative Work; Information Systems; Manufacturing

On the fractional derivative of stationary stochastic processes - Manuel Ortigueira; Arnaldo Batista (CST2006 & ECT2006 Conferences, 2006)
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On the fractional derivative of stationary stochastic processes - Ortigueira, M.; Batista, A. (CST2006 & ECT2006 Conferences, 2006)
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Neurotoxicity of ecstasy metabolites in rat cortical neurons, and influence of hyperthermia - Capela, Joao Paulo; Meisel, Andreas; Abreu, Artur Reis; Branco, Paula Serio; Ferreira, Luisa Maria; Lobo, Ana Maria; Remiao, Fernando; Bastos, Maria Lurdes; Carvalho, Felix (TOXICOLOGY LETTERS, 2006)
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Competitividade no sector automóvel e formas inovadoras de gestão do emprego em Portugal [Competitivity in the Portuguese automotive sector and innovative forms of employment management] - António Moniz (University Library of Munich, Germany, 2006)
If indicators of international competitivity of the Portuguese industry reveal very strong weaknesses in the field of education and vocational training, the achievement of a solution is not based only (and should not!) in a decisive increase of investment and support in the education and training system. It seem not logical to think in that way, once normally when one tries to solve a problem that is done in the context of that same problem. Eventually there are other strategies. Which are, then, the fields where is necessary to orient the investiment to improve an industrial competitivity? To try to answer this question, we analise one of the sectors that have contributed the most for an improvement of the Portuguese economical performance, and for a true innovative process as in terms of industrial product, or in terms of manufacturing and distribution processes. Is the automotive sector where that happens, taken in its two most important sub-sectors: the one of automobile manufacturing and assembly, and the one of components manufacturing.
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Keywords: automotive sector; competitivity; Education; performance; Portugal; vocational training

{Competitividade no sector automóvel e formas inovadoras de gestão do emprego em Portugal [Competitivity in the Portuguese automotive sector and innovative forms of employment management]} - António Moniz (University Library of Munich, Germany, 2006)
If indicators of international competitivity of the Portuguese industry reveal very strong weaknesses in the field of education and vocational training, the achievement of a solution is not based only (and should not!) in a decisive increase of investment and support in the education and training system. It seem not logical to think in that way, once normally when one tries to solve a problem that is done in the context of that same problem. Eventually there are other strategies. Which are, then, the fields where is necessary to orient the investiment to improve an industrial competitivity? To try to answer this question, we analise one of the sectors that have contributed the most for an improvement of the Portuguese economical performance, and for a true innovative process as in terms of industrial product, or in terms of manufacturing and distribution processes. Is the automotive sector where that happens, taken in its two most important sub-sectors: the one of automobile manufacturing and assembly, and the one of components manufacturing.
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Keywords: automotive sector; competitivity; Education; performance; Portugal; vocational training

Comparative analysis of time-frequency methods estimating the time-varying microstructure of sleep EEG spindles - Xanthopoulos, P.; Golemati, S.; Sakkalis, V.; Ktonas, PY; Manuel Ortigueira; Zervakis, M.; Paparrigopoulos, T.; Tsekou, H.; Soldatos, CR (Information Technology Applications in Biomedicine, 2006)
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Comparative analysis of time-frequency methods estimating the time-varying microstructure of sleep EEG spindles - Xanthopoulos, P.; Golemati, S.; Sakkalis, V.; Ktonas, PY; Ortigueira, M.; Zervakis, M.; Paparrigopoulos, T.; Tsekou, H.; Soldatos, CR (Information Technology Applications in Biomedicine, 2006)
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A new least-squares approach to differintegration modeling - Ortigueira, M.D.; Serralheiro, A.J. (Signal Processing, 2006)
In this paper a new least-squares (LS) approach is used to model the discrete-time fractional differintegrator. This approach is based on a mismatch error between the required response and the one obtained by the difference equation defining the auto-regressive, moving-average (ARMA) model. In minimizing the error power we obtain a set of suitable normal equations that allow us to obtain the ARMA parameters. This new LS is then applied to the same examples as in ?R.S. Barbosa, J.A. Tenreiro Machado, I.M. Ferreira, Least-squares design of digital fractional-order operators, FDA'2004 First IFAC Workshop on Fractional Differentiation and Its Applications, Bordeaux, France, July 19-21, 2004, P. Ostalczyk, Fundamental properties of the fractional-order discrete-time integrator, Signal Processing 83 (2003) 2367-2376? so performance comparisons can be drawn. Simulation results show that both magnitude frequency responses are essentially identical. Concerning the modeling stability,both algorithms present similar limitations, although for different ARMA model orders.
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Deacidification of paper using dispersions of Ca(OH)(2) nanoparticles in isopropanol. Study of efficiency - Sequeira, S.; Casanova, C.; E. J. Cabrita (Journal of Cultural Heritage, 2006)
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Modelling the electron-transfer complex between aldehyde oxidoreductase and flavodoxin - Krippahl, Ludwig; Palma, P. Nuno; Moura, Isabel; Moura, Jose J. G. (European Journal of Inorganic Chemistry, 2006)
Three-dimensional protein structures of the xanthine oxidase family show different solutions for the problem of transferring electrons between the flavin adenine dinucleotide (FAD) group and the molybdenum cofactor. In xanthine oxidase all the cofactors he within domains of the same protein chain, whereas in CO dehydrogenase the Fe-S centres, FAD and Mo cofactors are enclosed in separate chains and the enzyme exists as a stable complex of all three. In aldehyde oxidore-ductase, only Fe-S and Mo co-factors are present in a single protein chain. Flavodoxin is docked to aldehyde oxidoreductase to mimic the flavin component on the intramolecular electron transfer chain of aanthine oxidase and CO dehydrogenase and, remarkably, the main features of the electron-transfer pathway are observed.
Times Cited: 1

Structural and electron paramagnetic resonance (EPR) studies of mononuclear molybdenum enzymes from sulfate-reducing bacteria - Brondino, C. D.; Rivas, M. G.; Romao, M. J.; Moura, J. J.; Moura, I. (Acc Chem Res, 2006)
Molybdenum and tungsten are found in biological systems in a mononuclear form in the active site of a diverse group of enzymes that generally catalyze oxygen-atom-transfer reactions. The metal atom (Mo or W) is coordinated to one or two pyranopterin molecules and to a variable number of ligands such as oxygen (oxo, hydroxo, water, serine, aspartic acid), sulfur (cysteines), and selenium (selenocysteines) atoms. In addition, these proteins contain redox cofactors such as iron-sulfur clusters and heme groups. All of these metal cofactors are along an electron-transfer pathway that mediates the electron exchange between substrate and an external electron acceptor (for oxidative reactions) or donor (for reductive reactions). We describe in this Account a combination of structural and electronic paramagnetic resonance studies that were used to reveal distinct aspects of these enzymes.
0001-4842 (Print)0001-4842 (Linking)Journal ArticleResearch Support, Non-U.S. Gov'tReview
Keywords: Aldehyde Oxidoreductases/genetics/metabolism; Bacteria/*enzymology; Binding Sites; Electron Spin Resonance Spectroscopy; Enzyme Inhibitors/chemistry/pharmacology; Enzymes/*chemistry/genetics; Formate Dehydrogenases/genetics/metabolism; Models, Molecular; Molybdenum/*chemistry; Stereoisomerism; Sulfates/*metabolism

Editorial Note - António Moniz; Rogério Puga Leal (Enterprise and Work Innovation Studies, 2006)
No abstract is available for this item.
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Foresight methodologies to understand changes in the labour process. Experience from Portugal - Moniz, António B. (Enterprise and Work Innovation Studies, 2006)
The foresight and scenario building methods can be an interesting reference for social sciences, especially in terms of innovative methods for labour process analysis. A scenario – as a central concept for the prospective analysis – can be considered as a rich and detailed portrait of a plausible future world. It can be a useful tool for policy-makers to grasp problems clearly and comprehensively, and to better pinpoint challenges as well as opportunities in an overall framework. The features of the foresight methods are being used in some labour policy making experiences. Case studies developed in Portugal will be presented, and some conclusions will be drawn in order to organise a set of principles for foresight analysis applied to the European project WORKS on the work organisation re-structuring in the knowledge society, and on the work design methods for new management structures of virtual organisations.
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Keywords: foresight; Portugal; scenario; work organisation

International Conference on “Foresight Studies on Work in the Knowledge Society“ in Monte de Caparica (FCT-UNL) on 19-20 October 2006 - Moniz, António B.; Woll, Tobias (Enterprise and Work Innovation Studies, 2006)
On 19 and 20 October 2006, the Research Centre on Enterprise and Work Organisation (IET) organised the first international conference on “Foresight Studies on Work in the Knowledge Society”. It took place at the auditorium of the new Library of FCT-UNL and had the support of the research project “CodeWork@VO” (financed by FCT-MCTES and co-ordinated by INESC, Porto). The conference related to the European research project “Work Organisation and Restructuring in the Knowledge Society” (WORKS), which is financed by the European Commission. The main objective of the conference was to analyse and discuss research findings on the trends of work structures in the knowledge society, and to debate on new work organisation models and new forms of work supported by ICT.
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Keywords: foresight; knowledge society; Work

{Change Processes and Future Perspectives in the Knowledge Society. The Example of Clothing and Textile Industry} - Woll, Tobias (Enterprise and Work Innovation Studies, 2006)
The paper examines change processes und future perspectives in the knowledge society. It presents the clothing and textile industry as an example for a transforming industry in a global economy. The paper reviews existing future studies, which have surveyed change processes and future developments in the clothing and textile industry. Main goals of the review are the identification of changes in work and the description of the restructuring of global value chains within the clothing and textile sector. The paper also highlights major current trends, drivers of change and future prospects in this sector.
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Keywords: clothing industry; foresight; knowledge-based society; textile industry

Editorial Note - António Moniz; Rogério Puga Leal (Enterprise and Work Innovation Studies, 2006)
No abstract is available for this item.
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{Foresight methodologies to understand changes in the labour process. Experience from Portugal} - Moniz, António B. (Enterprise and Work Innovation Studies, 2006)
The foresight and scenario building methods can be an interesting reference for social sciences, especially in terms of innovative methods for labour process analysis. A scenario – as a central concept for the prospective analysis – can be considered as a rich and detailed portrait of a plausible future world. It can be a useful tool for policy-makers to grasp problems clearly and comprehensively, and to better pinpoint challenges as well as opportunities in an overall framework. The features of the foresight methods are being used in some labour policy making experiences. Case studies developed in Portugal will be presented, and some conclusions will be drawn in order to organise a set of principles for foresight analysis applied to the European project WORKS on the work organisation re-structuring in the knowledge society, and on the work design methods for new management structures of virtual organisations.
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Keywords: foresight; Portugal; scenario; work organisation

{International Conference on “Foresight Studies on Work in the Knowledge Society“ in Monte de Caparica (FCT-UNL) on 19-20 October 2006} - Moniz, António B.; Woll, Tobias (Enterprise and Work Innovation Studies, 2006)
On 19 and 20 October 2006, the Research Centre on Enterprise and Work Organisation (IET) organised the first international conference on “Foresight Studies on Work in the Knowledge Society”. It took place at the auditorium of the new Library of FCT-UNL and had the support of the research project “CodeWork@VO” (financed by FCT-MCTES and co-ordinated by INESC, Porto). The conference related to the European research project “Work Organisation and Restructuring in the Knowledge Society” (WORKS), which is financed by the European Commission. The main objective of the conference was to analyse and discuss research findings on the trends of work structures in the knowledge society, and to debate on new work organisation models and new forms of work supported by ICT.
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Keywords: foresight; knowledge society; Work

{International Conference on “Foresight Studies on Work in the Knowledge Society“ in Monte de Caparica (FCT-UNL) on 19-20 October 2006} - Moniz, António B.; Woll, Tobias (Enterprise and Work Innovation Studies, 2006)
On 19 and 20 October 2006, the Research Centre on Enterprise and Work Organisation (IET) organised the first international conference on “Foresight Studies on Work in the Knowledge Society”. It took place at the auditorium of the new Library of FCT-UNL and had the support of the research project “CodeWork@VO” (financed by FCT-MCTES and co-ordinated by INESC, Porto). The conference related to the European research project “Work Organisation and Restructuring in the Knowledge Society” (WORKS), which is financed by the European Commission. The main objective of the conference was to analyse and discuss research findings on the trends of work structures in the knowledge society, and to debate on new work organisation models and new forms of work supported by ICT.
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Keywords: foresight; knowledge society; Work

{The First WORKS Conference on Transformation of Work in a Global Knowledge Economy} - Martin Bechmann; Nierling, Linda; Woll, Tobias (Enterprise and Work Innovation Studies, 2006)
The relationship between the changes of the global economy and individual working conditions formed the background of the first WORKS conference “The transformation of work in a global knowledge economy: towards a conceptual framework”, held in Chania, Greece from 21st – 22nd September, 2006 and attended by around 50 European researchers. Experts from academia and trade unions from all over the world were invited to give insights into their field of research, contributing to one of the main topics of the conference: (i) globalisation and organisational restructuring, (ii) workers’ organisation, the quality of working life and the gender dimension and (iii) global experiences and recommendations.
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Keywords: knowledge economy; Work

{The sociological perspective on the knowledge-based society: assumptions, facts and visions} - Bettina-Johanna Krings (Enterprise and Work Innovation Studies, 2006)
The paper will present the central discourse of the knowledge-based society. Already in the 1960s the debate of the industrial society already raised the question whether there can be considered a paradigm shift towards a knowledge-based society. Some prominent authors already foreseen ‘knowledge’ as the main indicator in order to displace ‘labour’ and ‘capital’ as the main driving forces of the capitalistic development. Today on the political level and also in many scientific disciplines the assumption that we are already living in a knowledge-based society seems obvious. Although we still do not have a theory of the knowledge-based society and there still exist a methodological gap about the empirical indicators, the vision of a knowledge-based society determines at least the perception of the Western societies. In a first step the author will pinpoint the assumptions about the knowledge-based society on three levels: on the societal, on the organisational and on the individual level. These assumptions are relied on the following topics: a) The role of the information and communication technologies; b) The dynamic development of globalisation as an ‘evolutionary’ process; c) The increasing importance of knowledge management within organisations; d) The changing role of the state within the economic processes. Not only the differentiation between the levels but also the revision of the assumptions of a knowledge-based society will show that the ‘topics raised in the debates’ cannot be considered as the results of a profound societal paradigm shift. However what seems very impressive is the normative and virtual shift towards a concept of modernity, which strongly focuses on the role of technology as a driving force as well as on the global economic markets, which has to be accepted. Therefore – according to the official debate - the successful adaptation of these processes seems the only way to meet the knowledge-based society. Analysing the societal changes on the
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Keywords: ICT; knowledge management; knowledge-based society; technology

Decavanadate interactions with actin: inhibition of G-actin polymerization and stabilization of decameric vanadate - Ramos, S.; Manuel, M.; Tiago, T.; Duarte, R.; Martins, J.; Gutierrez-Merino, C.; Moura, J. J.; Aureliano, M. (J Inorg Biochem, 2006)
Decameric vanadate species (V10) inhibit the rate and the extent of G-actin polymerization with an IC50 of 68+/-22 microM and 17+/-2 microM, respectively, whilst they induce F-actin depolymerization at a lower extent. On contrary, no effect on actin polymerization and depolymerization was detected for 2mM concentration of "metavanadate" solution that contains ortho and metavanadate species, as observed by combining kinetic with (51)V NMR spectroscopy studies. Although at 25 degrees C, decameric vanadate (10 microM) is unstable in the assay medium, and decomposes following a first-order kinetic, in the presence of G-actin (up to 8 microM), the half-life increases 5-fold (from 5 to 27 h). However, the addition of ATP (0.2mM) in the medium not only prevents the inhibition of G-actin polymerization by V10 but it also decreases the half-life of decomposition of decameric vanadate species from 27 to 10h. Decameric vanadate is also stabilized by the sarcoplasmic reticulum vesicles, which raise the half-life time from 5 to 18h whereas no effects were observed in the presence of phosphatidylcholine liposomes, myosin or G-actin alone. It is proposed that the "decavanadate" interaction with G-actin, favored by the G-actin polymerization, stabilizes decameric vanadate species and induces inhibition of G-actin polymerization. Decameric vanadate stabilization by cytoskeletal and transmembrane proteins can account, at least in part, for decavanadate toxicity reported in the evaluation of vanadium (V) effects in biological systems.
0162-0134 (Print)0162-0134 (Linking)Journal ArticleResearch Support, Non-U.S. Gov't
Keywords: Actins/*chemistry/metabolism; Adenosine Triphosphate/chemistry/metabolism; Animals; Liposomes/chemistry/metabolism; Magnetic Resonance Spectroscopy/methods; Myosins/chemistry/metabolism; Polymers/chemistry; Rabbits; Sarcoplasmic Reticulum/metabolism; Vanadates/*chemistry/metabolism

Influence of CYP2D6 polymorphism on 3,4-methylenedioxymethamphetamine ('ecstasy') cytotoxicity - Carmo, Helena; Brulport, Marc; Hermes, Matthias; Oesch, Franz; Silva, Renata; Ferreira, Luisa M.; Branco, Paula S.; de Boer, Douwe; Remiao, Fernando; Carvalho, Felix; Schoen, Michael R.; Krebsfaenger, Niels; et al. (PHARMACOGENETICS AND GENOMICS, 2006)
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Procesos de globalización de las cadenas de valor en la industria de vestuario en Portugal: implicación en las estructuras de trabajo - {Moniz, António; Silva, Ana; Woll, Tobias; Samapaio, José (University Library of Munich, Germany, 2006)
Algunos de los fenómenos donde el concepto de “globalización” es aplicado incluyen la internacionalización de los mercados, la globalización de la cultura, el dominio pol{\'ıtico hegemónico del mundo por algunos estados poderosos, o grupos de estados, el poder creciente de organismos supranacionales, y el desarrollo de una división global de trabajo. De acuerdo con Radice, la globalización é generalmente definida como “un proceso a través de lo cual una proporción creciente de transacciones económicas, sociales e culturales ocurre directamente o indirectamente entre partners de pa{\'ıses distintos” (Radice, 2004: 154). Un ponto de partida para entender la división global del trabajo debe ser la investigación de los modos como las empresas se reestructuran, una vez que son los actores-llave en la decisión sobre que trabajo debe ser encontrado y donde. Las “cadenas de valor” descriven cada etapa en el proceso productivo de un producto o un servicio final. La palabra “valor” en la frase “cadena de valor” dice respecto al valor añadido. Cada etapa en la cadena de valor implica recibir inputs, procesarlos, y entonces pasarlos a la unidad siguiente en la cadena, con el valor que está sendo adicionado no proceso. As unidades separadas da cadena de valor pueden estar dentro da misma empresa (in-house) o en distintas empresas (outsourced). Similarmente pueden estar en un mismo local, o en otra localización. La normalización de muchos procesos del negocio, combinada con la digitalización da información y el desarrollo de redes de telecomunicaciones de elevada capacidad ha tornado posible el trabajo tele-mediado, pudiendo este ser externalizado y/o re-localizado, conduciendo à introducción de una división de trabajo internacional no trabajo de procesamiento de información. Esta comunicación presentará algunos resultados derivados do proyecto europeo WORKS, donde son estudiados casos portugueses de empresas que justamente se integran en
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Keywords: clothing industry; Europe; globalisation; Portugal; textile industry; value chains

Sample treatment for protein identification by mass spectrometry-based techniques - Lopez-Ferrer, D.; Canas, B.; Vazquez, J.; Lodeiro, C.; Rial-Otero, R.; Moura, I.; Capelo, J. L. (Trac-Trends in Analytical Chemistry, 2006)
Rapid identification of proteins is of primary importance for the analytical community. Protein-biomarker discovery for medical diagnostics or pharmacological purposes is becoming one of the hottest research topics. Moreover, rapid identification of proteins can help unambiguous bacterial and virus detection. In addition, the fast identification of bacteria can be used to beat bioterrorism. As a consequence, new analytical methodologies have emerged recently with the aim of making protein analysis as fast and as confident as possible. In this article, we critically review the new trends in sample treatment for protein identification and comment on the prospects for the future in this promising analytical area. (c) 2006 Elsevier Ltd. All rights reserved.
Times Cited: 34

{Procesos de globalización de las cadenas de valor en la industria de vestuario en Portugal: implicación en las estructuras de trabajo} - António Moniz; Silva, Ana; Woll, Tobias; Samapaio, José (University Library of Munich, Germany, 2006)
Algunos de los fenómenos donde el concepto de “globalización” es aplicado incluyen la internacionalización de los mercados, la globalización de la cultura, el dominio político hegemónico del mundo por algunos estados poderosos, o grupos de estados, el poder creciente de organismos supranacionales, y el desarrollo de una división global de trabajo. De acuerdo con Radice, la globalización é generalmente definida como “un proceso a través de lo cual una proporción creciente de transacciones económicas, sociales e culturales ocurre directamente o indirectamente entre partners de países distintos” (Radice, 2004: 154). Un ponto de partida para entender la división global del trabajo debe ser la investigación de los modos como las empresas se reestructuran, una vez que son los actores-llave en la decisión sobre que trabajo debe ser encontrado y donde. Las “cadenas de valor” descriven cada etapa en el proceso productivo de un producto o un servicio final. La palabra “valor” en la frase “cadena de valor” dice respecto al valor añadido. Cada etapa en la cadena de valor implica recibir inputs, procesarlos, y entonces pasarlos a la unidad siguiente en la cadena, con el valor que está sendo adicionado no proceso. As unidades separadas da cadena de valor pueden estar dentro da misma empresa (in-house) o en distintas empresas (outsourced). Similarmente pueden estar en un mismo local, o en otra localización. La normalización de muchos procesos del negocio, combinada con la digitalización da información y el desarrollo de redes de telecomunicaciones de elevada capacidad ha tornado posible el trabajo tele-mediado, pudiendo este ser externalizado y/o re-localizado, conduciendo à introducción de una división de trabajo internacional no trabajo de procesamiento de información. Esta comunicación presentará algunos resultados derivados do proyecto europeo WORKS, donde son estudiados casos portugueses de empresas que justamente se integran en cadenas de valor globalizadas, sendo analizadas
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Keywords: clothing industry; Europe; globalisation; Portugal; textile industry; value chains

{Procesos de globalización de las cadenas de valor en la industria de vestuario en Portugal: implicación en las estructuras de trabajo} - António Moniz; Silva, Ana; Woll, Tobias; Samapaio, José (University Library of Munich, Germany, 2006)
Algunos de los fenómenos donde el concepto de “globalización” es aplicado incluyen la internacionalización de los mercados, la globalización de la cultura, el dominio político hegemónico del mundo por algunos estados poderosos, o grupos de estados, el poder creciente de organismos supranacionales, y el desarrollo de una división global de trabajo. De acuerdo con Radice, la globalización é generalmente definida como “un proceso a través de lo cual una proporción creciente de transacciones económicas, sociales e culturales ocurre directamente o indirectamente entre partners de países distintos” (Radice, 2004: 154). Un ponto de partida para entender la división global del trabajo debe ser la investigación de los modos como las empresas se reestructuran, una vez que son los actores-llave en la decisión sobre que trabajo debe ser encontrado y donde. Las “cadenas de valor” descriven cada etapa en el proceso productivo de un producto o un servicio final. La palabra “valor” en la frase “cadena de valor” dice respecto al valor añadido. Cada etapa en la cadena de valor implica recibir inputs, procesarlos, y entonces pasarlos a la unidad siguiente en la cadena, con el valor que está sendo adicionado no proceso. As unidades separadas da cadena de valor pueden estar dentro da misma empresa (in-house) o en distintas empresas (outsourced). Similarmente pueden estar en un mismo local, o en otra localización. La normalización de muchos procesos del negocio, combinada con la digitalización da información y el desarrollo de redes de telecomunicaciones de elevada capacidad ha tornado posible el trabajo tele-mediado, pudiendo este ser externalizado y/o re-localizado, conduciendo à introducción de una división de trabajo internacional no trabajo de procesamiento de información. Esta comunicación presentará algunos resultados derivados do proyecto europeo WORKS, donde son estudiados casos portugueses de empresas que justamente se integran en cadenas de valor globalizadas, sendo analizadas
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Keywords: clothing industry; Europe; globalisation; Portugal; textile industry; value chains

Bacterial nitrate reductases: Molecular and biological aspects of nitrate reduction - Gonzalez, P. J.; Correia, C.; Moura, I.; Brondino, C. D.; Moura, J. J. (J Inorg Biochem, 2006)
Nitrogen is a vital component in living organisms as it participates in the making of essential biomolecules such as proteins, nucleic acids, etc. In the biosphere, nitrogen cycles between the oxidation states +V and -III producing many species that constitute the biogeochemical cycle of nitrogen. All reductive branches of this cycle involve the conversion of nitrate to nitrite, which is catalyzed by the enzyme nitrate reductase. The characterization of nitrate reductases from prokaryotic organisms has allowed us to gain considerable information on the molecular basis of nitrate reduction. Prokaryotic nitrate reductases are mononuclear Mo-containing enzymes sub-grouped as respiratory nitrate reductases, periplasmic nitrate reductases and assimilatory nitrate reductases. We review here the biological and molecular properties of these three enzymes along with their gene organization and expression, which are necessary to understand the biological processes involved in nitrate reduction.
0162-0134 (Print)0162-0134 (Linking)Journal ArticleResearch Support, U.S. Gov't, Non-P.H.S.Review
Keywords: Bacteria/*enzymology; Models, Molecular; Nitrate Reductase/chemistry/*metabolism; Nitrates/*metabolism

Comparative report - WORKS WP5 Policy pillar - Meil, Pamela; Trommel, Willem; Bannink, Duco; Hoogenboom, Marcel; Moniz, Antonio; Woll, Tobias; Makó, Czaba; Csizmadia, Péter; Illessy, Miklós; Balkmar, Dag; Linardos, Petros (ZBW - German National Library of Economics, 2006)
This report begins with some general information and analysis of policy and regulation that were the subjects of discussion and exchange in the policy pillar in the first phase of WORKS. The second section is a synthesis of country information on general principles and trends of policy and policy enforcement. This is followed by a summary of sector information for the sectors chosen by the qualitative pillar to be the objects of empirical analysis. The last summarises research questions and dimensions to be guidelines for carrying out case studies and capturing the relevance and effects of policy and institutions at the workplace. –
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Keywords: labour policy; policy enforcement; qualitative research; workplace

Riesz potential operators and inverses via fractional centred derivatives - Manuel Ortigueira (International Journal of Mathematics and Mathematical Sciences, 2006)
Fractional centred differences and derivatives definitions are proposed, generalizing to real orders the existing ones valid for even and odd positive integer orders. For each one, suitable integral formulations are obtained. The computations of the involved integrals lead to new generalizations of the Cauchy integral derivative. To compute this integral, a special two-straight-line path was used. With this the referred integrals lead to the well-known Riesz potential operators and their inverses that emerge as true fractional centred derivatives, but that can be computed through summations similar to the well-known Grünwald-Letnikov derivatives.
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{Comparative report - WORKS WP5 Policy pillar} - Meil, Pamela; Trommel, Willem; Bannink, Duco; Hoogenboom, Marcel; Moniz, Antonio; Woll, Tobias; Makó, Czaba; Csizmadia, Péter; Illessy, Miklós; Balkmar, Dag; Linardos, Petros (ZBW - German National Library of Economics, 2006)
This report begins with some general information and analysis of policy and regulation that were the subjects of discussion and exchange in the policy pillar in the first phase of WORKS. The second section is a synthesis of country information on general principles and trends of policy and policy enforcement. This is followed by a summary of sector information for the sectors chosen by the qualitative pillar to be the objects of empirical analysis. The last summarises research questions and dimensions to be guidelines for carrying out case studies and capturing the relevance and effects of policy and institutions at the workplace.
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Keywords: labour policy; policy enforcement; qualitative research; workplace

Kinetics studies of the superoxide-mediated electron transfer reactions between rubredoxin-type proteins and superoxide reductases - Auchere, F.; Pauleta, S. R.; Tavares, P; Moura, I.; Moura, J. J. (J Biol Inorg Chem, 2006)
In this work we present a kinetic study of the superoxide-mediated electron transfer reactions between rubredoxin-type proteins and members of the three different classes of superoxide reductases (SORs). SORs from the sulfate-reducing bacteria Desulfovibrio vulgaris (Dv) and D. gigas (Dg) were chosen as prototypes of classes I and II, respectively, while SOR from the syphilis spirochete Treponema pallidum (Tp) was representative of class III. Our results show evidence for different behaviors of SORs toward electron acceptance, with a trend to specificity for the electron donor and acceptor from the same organism. Comparison of the different kapp values, 176.9+/-25.0 min(-1) in the case of the Tp/Tp electron transfer, 31.8+/-3.6 min(-1) for the Dg/Dg electron transfer, and 6.9+/-1.3 min(-1) for Dv/Dv, could suggest an adaptation of the superoxide-mediated electron transfer efficiency to various environmental conditions. We also demonstrate that, in Dg, another iron-sulfur protein, a desulforedoxin, is able to transfer electrons to SOR more efficiently than rubredoxin, with a kapp value of 108.8+/-12.0 min(-1), and was then assigned as the potential physiological electron donor in this organism.
0949-8257 (Print)0949-8257 (Linking)Journal ArticleResearch Support, Non-U.S. Gov't
Keywords: Animals; Bacterial Proteins/chemistry/genetics/metabolism; Cattle; Desulfovibrio gigas/enzymology; Desulfovibrio vulgaris/enzymology; Electrochemistry; Electron Transport; Iron-Binding Proteins/chemistry/metabolism; Iron-Sulfur Proteins/chemistry/metabolism; Kinetics; Oxidoreductases Acting on Sulfur Group Donors/chemistry/metabolism; Oxidoreductases/*chemistry/genetics/metabolism; Rubredoxins/*chemistry/genetics/metabolism; Spectrophotometry; Superoxides/*chemistry/metabolism

EPR and redox properties of periplasmic nitrate reductase from Desulfovibrio desulfuricans ATCC 27774 - Gonzalez, P. J.; Rivas, M. G.; Brondino, C. D.; Bursakov, S. A.; Moura, I.; Moura, J. J. (J Biol Inorg Chem, 2006)
Nitrate reductases are enzymes that catalyze the conversion of nitrate to nitrite. We report here electron paramagnetic resonance (EPR) studies in the periplasmic nitrate reductase isolated from the sulfate-reducing bacteria Desulfovibrio desulfuricans ATCC 27774. This protein, belonging to the dimethyl sulfoxide reductase family of mononuclear Mo-containing enzymes, comprises a single 80-kDa subunit and contains a Mo bis(molybdopterin guanosine dinucleotide) cofactor and a [4Fe-4S] cluster. EPR-monitored redox titrations, carried out with and without nitrate in the potential range from 200 to -500 mV, and EPR studies of the enzyme, in both catalytic and inhibited conditions, reveal distinct types of Mo(V) EPR-active species, which indicates that the Mo site presents high coordination flexibility. These studies show that nitrate modulates the redox properties of the Mo active site, but not those of the [4Fe-4S] center. The possible structures and the role in catalysis of the distinct Mo(V) species detected by EPR are discussed.
0949-8257 (Print)0949-8257 (Linking)Journal ArticleResearch Support, Non-U.S. Gov't
Keywords: Bacterial Proteins/antagonists & inhibitors/*chemistry; Binding Sites; Catalysis; Desulfovibrio desulfuricans/*enzymology; Electron Spin Resonance Spectroscopy; Guanine Nucleotides/chemistry; Molybdenum/chemistry; Nitrate Reductase/antagonists & inhibitors/*chemistry; Nitrates/chemistry; Oxidation-Reduction; Periplasm/enzymology; Pterins/chemistry

The first crystal structure of class III superoxide reductase from Treponema pallidum - Santos-Silva, T.; Trincao, J.; Carvalho, A. L.; Bonifacio, C.; Auchere, F.; Raleiras, P.; Moura, I.; Moura, J. J.; Romao, M. J. (J Biol Inorg Chem, 2006)
Superoxide reductase (SOR) is a metalloprotein containing a non-heme iron centre, responsible for the scavenging of superoxide radicals in the cell. The crystal structure of Treponema pallidum (Tp) SOR was determined using soft X-rays and synchrotron radiation. Crystals of the oxidized form were obtained using poly(ethylene glycol) and MgCl2 and diffracted beyond 1.55 A resolution. The overall architecture is very similar to that of other known SORs but TpSOR contains an N-terminal domain in which the desulforedoxin-type Fe centre, found in other SORs, is absent. This domain conserves the beta-barrel topology with an overall arrangement very similar to that of other SOR proteins where the centre is present. The absence of the iron ion and its ligands, however, causes a decrease in the cohesion of the domain and some disorder is observed, particularly in the region where the metal would be harboured. The C-terminal domain exhibits the characteristic immunoglobulin-like fold and harbours the Fe(His)4(Cys) active site. The five ligands of the iron centre are well conserved despite some disorder observed for one of the four molecules in the asymmetric unit. The participation of a glutamate as the sixth ligand of some of the iron centres in Pyrococcus furiosus SOR was not observed in TpSOR. A possible explanation is that either X-ray photoreduction occurred or there was a mixture of redox states at the start of data collection. In agreement with earlier proposals, details in the TpSOR structure also suggest that Lys49 might be involved in attraction of superoxide to the active site.
0949-8257 (Print)0949-8257 (Linking)Journal ArticleResearch Support, Non-U.S. Gov't
Keywords: Amino Acid Sequence; Binding Sites; Crystallography, X-Ray; Magnesium Chloride/chemistry; Molecular Sequence Data; Oxidation-Reduction; Oxidoreductases/*chemistry; Polyethylene Glycols/chemistry; Treponema pallidum/*enzymology

Kinetics studies of the superoxide-mediated electron transfer reactions between rubredoxin-type proteins and superoxide reductases - Auchere, F.; Pauleta, S. R.; Tavares, P; Moura, I.; Moura, J. J. G. (JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2006)
In this work we present a kinetic study of the superoxide-mediated electron transfer reactions between rubredoxin-type proteins and members of the three different classes of superoxide reductases (SORs). SORs from the sulfate-reducing bacteria Desulfovibrio vulgaris (Dv) and D. gigas (Dg) were chosen as prototypes of classes I and II, respectively, while SOR from the syphilis spyrochete Treponema pallidum (Tp) was representative of class III. Our results show evidence for different behaviors of SORs toward electron acceptance, with a trend to specificity for the electron donor and acceptor from the same organism. Comparison of the different k (app) values, 176.9 +/- 25.0 min(-1) in the case of the Tp/Tp electron transfer, 31.8 +/- 3.6 min(-1) for the Dg/Dg electron transfer, and 6.9 +/- 1.3 min(-1) for Dv/Dv, could suggest an adaptation of the superoxide-mediated electron transfer efficiency to various environmental conditions. We also demonstrate that, in Dg, another iron-sulfur protein, a desulforedoxin, is able to transfer electrons to SOR more efficiently than rubredoxin, with a k (app) value of 108.8 +/- 12.0 min(-1), and was then assigned as the potential physiological electron donor in this organism.
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Biochemical and spectroscopic characterization of an aldehyde oxidoreductase isolated from Desulfovibrio aminophilus - Thapper, A.; Rivas, M. G.; Brondino, C. D.; Ollivier, B.; Fauque, G.; Moura, I.; Moura, J. J. (J Inorg Biochem, 2006)
Aldehyde oxidoreductase (AOR) activity has been found in a number of sulfate-reducing bacteria. The enzyme that is responsible for the conversion of aldehydes to carboxylic acids is a mononuclear molybdenum enzyme belonging to the xanthine oxidase family. We report here the purification and characterization of AOR isolated from the sulfate-reducing bacterium Desulfovibrio (D.) aminophilus DSM 12254, an aminolytic strain performing thiosulfate dismutation. The enzyme is a homodimer (ca. 200 kDa), containing a molybdenum centre and two [2Fe-2S] clusters per monomer. UV/Visible and electron paramagnetic resonance (EPR) spectra of D. aminophilus AOR recorded in as-prepared and reduced states are similar to those obtained in AORs from Desulfovibrio gigas, Desulfovibrio desulfuricans and Desulfovibrio alaskensis. Despite AOR from D. aminophilus is closely related to other AORs, it presents lower activity towards aldehydes and no activity towards N-heterocyclic compounds, which suggests another possible role for this enzyme in vivo. A comparison of the molecular and EPR properties of AORs from different Desulfovibrio species is also included.
0162-0134 (Print)0162-0134 (Linking)Comparative StudyJournal ArticleResearch Support, Non-U.S. Gov't
Keywords: Aldehyde Oxidoreductases/*chemistry; Coenzymes/chemistry; Desulfovibrio/chemistry/*enzymology; Electron Spin Resonance Spectroscopy/methods; Iron-Sulfur Proteins/chemistry; Kinetics; Metalloproteins/chemistry; Molecular Weight; Oxidation-Reduction; Pteridines/chemistry; Species Specificity; Spectrophotometry, Ultraviolet

Gold-nanoparticle-probe-based assay for rapid and direct detection of Mycobacterium tuberculosis DNA in clinical samples - DQ Group Author; Baptista, Pedro Miguel Ribeiro Viana; Ricardo Franco (Clinical Chemistry, 2006)
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Neurotoxicity of ecstasy metabolites in rat cortical neurons, and influence of hyperthermia - Capela, JP; Meisel, A; Abreu, AR; Branco, P. S.; Ferreira, LM; A. M. Lobo; Remiao, F; Bastos, ML; F. Carvalho (JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS, 2006)
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Metalloenzymes of the denitrification pathway - Tavares, P; Pereira, A. S.; Moura, J. J.; Moura, I. (J Inorg Biochem, 2006)
Denitrification, or dissimilative nitrate reduction, is an anaerobic process used by some bacteria for energy generation. This process is important in many aspects, but its environmental implications have been given particular relevance. Nitrate accumulation and release of nitrous oxide in the atmosphere due to excess use of fertilizers in agriculture are examples of two environmental problems where denitrification plays a central role. The reduction of nitrate to nitrogen gas is accomplished by four different types of metalloenzymes in four simple steps: nitrate is reduced to nitrite, then to nitric oxide, followed by the reduction to nitrous oxide and by a final reduction to dinitrogen. In this manuscript we present a concise updated review of the bioinorganic aspects of denitrification.
0162-0134 (Print)0162-0134 (Linking)Journal ArticleResearch Support, Non-U.S. Gov'tReview
Keywords: Enzymes/*metabolism; Models, Molecular; Nitrate Reductase/metabolism; Nitrates/*metabolism; Nitrite Reductases/metabolism; Oxidoreductases/metabolism

Metalloenzymes of the denitrification pathway - Tavares, P; Pereira, A. S.; Moura, J. J. G.; Moura, I. (Journal Of Inorganic Biochemistry, 2006)
Denitrification, or dissimilative nitrate reduction, is an anaerobic process used by some bacteria for energy generation. This process is important in many aspects, but its environmental implications have been given particular relevance. Nitrate accumulation and release of nitrous oxide in the atmosphere due to excess use of fertilizers in agriculture are examples of two environmental problems where denitrification plays a central role. The reduction of nitrate to nitrogen gas is accomplished by four different types of metalloenzymes in four simple steps: nitrate is reduced to nitrite, then to nitric oxide, followed by the reduction to nitrous oxide and by a final reduction to dinitrogen. In this manuscript we present a concise updated review of the bioinorganic aspects of denitrification. (c) 2006 Elsevier Inc. All rights reserved.
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Nitric oxide reductase: direct electrochemistry and electrocatalytic activity - Cordas, C. M.; Pereira, A. S.; Martins, C. E.; Timoteo, C. G.; Moura, I.; Moura, J. J.; Tavares, P (Chembiochem, 2006)
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1439-4227 (Print)1439-4227 (Linking)Journal Article
Keywords: Catalysis; Electrochemistry; Oxidation-Reduction; Oxidoreductases/*chemistry

Nitric oxide reductase: Direct electrochemistry and electrocatalytic activity - Cordas, Cristina M.; Pereira, Alice S.; Martins, Carlos E.; Timoteo, Cristina G.; Moura, Isabel; Moura, Jose J. G.; Tavares, Pedro (Chembiochem, 2006)
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Redox chemistry of low-pH forms of tetrahemic cytochrome c3 - Santos, M.; Dos Santos, M. M.; Goncalves, M. L.; Costa, C.; Romao, J. C.; Moura, J. J. (J Inorg Biochem, 2006)
Desulfovibrio vulgaris Hildenborough cytochrome c(3) contains four hemes in a low-spin state with bis-histidinyl coordination. High-spin forms of cytochrome c(3) can be generated by protonation of the axial ligands in order to probe spin equilibrium (low-spin/high-spin). The spin alterations occurring at acid pH, the associated changes in redox potentials, as well as the reactivity towards external ligands were followed by the conjunction of square wave voltammetry and UV-visible, CD, NMR and EPR spectroscopies. These processes may be used for modelling the action of enzymes that use spin equilibrium to promote enzyme activity and reactivity towards small molecules.
0162-0134 (Print)0162-0134 (Linking)Journal ArticleResearch Support, Non-U.S. Gov't
Keywords: *Hydrogen-Ion Concentration; Circular Dichroism; Cytochrome c Group/*chemistry; Desulfovibrio vulgaris/*enzymology; Electron Spin Resonance Spectroscopy; Heme/*chemistry; Nuclear Magnetic Resonance, Biomolecular; Oxidation-Reduction; Spectrophotometry, Ultraviolet

Desulfovibrio gigas ferredoxin II: redox structural modulation of the [3Fe-4S] cluster - Rodrigues, P. M.; Macedo, A. L.; Goodfellow, B. J.; Moura, I.; Moura, J. J. (J Biol Inorg Chem, 2006)
Desulfovibrio gigas ferredoxin II (DgFdII) is a small protein with a polypeptide chain composed of 58 amino acids, containing one Fe3S4 cluster per monomer. Upon studying the redox cycle of this protein, we detected a stable intermediate (FdIIint) with four 1H resonances at 24.1, 20.5, 20.8 and 13.7 ppm. The differences between FdIIox and FdIIint were attributed to conformational changes resulting from the breaking/formation of an internal disulfide bridge. The same 1H NMR methodology used to fully assign the three cysteinyl ligands of the [3Fe-4S] core in the oxidized state (DgFdIIox) was used here for the assignment of the same three ligands in the intermediate state (DgFdIIint). The spin-coupling model used for the oxidized form of DgFdII where magnetic exchange coupling constants of around 300 cm-1 and hyperfine coupling constants equal to 1 MHz for all the three iron centres were found, does not explain the isotropic shift temperature dependence for the three cysteinyl cluster ligands in DgFdIIint. This study, together with the spin delocalization mechanism proposed here for DgFdIIint, allows the detection of structural modifications at the [3Fe-4S] cluster in DgFdIIox and DgFdIIint.
0949-8257 (Print)0949-8257 (Linking)Journal ArticleResearch Support, Non-U.S. Gov't
Keywords: Chromatography, High Pressure Liquid; Desulfovibrio gigas/*chemistry; Ferredoxins/*chemistry; Iron-Sulfur Proteins/*chemistry/isolation & purification; Nuclear Magnetic Resonance, Biomolecular; Oxidation-Reduction; Protein Conformation

Molybdenum and tungsten enzymes: the xanthine oxidase family - Brondino, C. D.; Romao, M. J.; Moura, I.; Moura, J. J. (Curr Opin Chem Biol, 2006)
Mononuclear molybdenum and tungsten are found in the active site of a diverse group of enzymes that, in general, catalyze oxygen atom transfer reactions. Enzymes of the xanthine oxidase family are the best-characterized mononuclear Mo-containing enzymes. Several 3D structures of diverse members of this family are known. Recently, the structures of substrate-bound and arsenite-inhibited forms of two members of this family have also been reported. In addition, spectroscopic studies have been utilized to elucidate fine details that complement the structural information. Altogether, these studies have provided an important amount of information on the characteristics of the active site and the electron transfer pathways.
1367-5931 (Print)1367-5931 (Linking)Journal ArticleResearch Support, Non-U.S. Gov'tReview
Keywords: Binding Sites; Electron Transport; Models, Molecular; Molybdenum/*metabolism; Protein Conformation; Tungsten/*metabolism; Xanthine Oxidase/antagonists & inhibitors/chemistry/*metabolism

Characterization of potash-glass corrosion in aqueous solution by ion beam and IR spectroscopy - Vilarigues, M.; R.C. da Silva (2006)
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Keywords: Alkali silicates; Corrosion; FTIR measurements; optical microscopy; Rutherford backscattering

Intramolecular excimer formation and sensing behavior of new fluorimetric probes and their interactions with metal cations and barbituric acids - Lodeiro, C.; J. C. Lima; A. J. Parola; de Melo, JSS; Capelo, J. L.; Covelo, B; Tamayo, A; Pedras, B (Sensors and Actuators B-Chemical, 2006)
A new family of compounds able to promote host-guest interactions with specific molecules (e.g., cyanuric and parabanic acids) and to coordinate metal ions, namely Zn(II) and Cu(II), has been synthesized and fully characterized. The new probes derive from the attachment of two methylaminopyrene units to the carbonyl precursor 2,6-bis(2-formylphenoxymethyl)pyridine. Its signalling properties result from the fluorescence emission properties, which reveal the existence of intramolecular excimer formation. The compounds have showed to be highly sensitive to the solvent and hydrogen ion concentration of the medium. Depending on these, different monomer-to-excimer fluorescence ratio is displayed by the two probes. The compound with a single pyrene unit revealed absence of excimer formation and was used as model compound. The overall results are discussed on the basis of the studied probes as potentially revealing molecular movements, off-on-off fluorescent photoinduced electron transfer (PET), host-guest interactions with specific compounds and of sensing metal ions. (c) 2005 Elsevier B.V. All rights reserved.
ISI Document Delivery No.: 034KYTimes Cited: 16 Cited Reference Count: 49 Lodeiro, C Lima, JC Parola, AJ de Melo, JSS Capelo, JL Covelo, B Tamayo, A Pedras, B Seixas de Melo, Sergio/A-5388-2008; Lodeiro, Carlos/B-4793-2013; Parola, A. Jorge/F-4048-2010; Capelo, Jose Luis/C-7334-2013; REQUIMTE, AL/H-9106-2013; Lima, Joao/F-3658-2010 Seixas de Melo, Sergio/0000-0001-9708-5079; Lodeiro, Carlos/0000-0001-5582-5446; Parola, A. Jorge/0000-0002-1333-9076; Lima, Joao/0000-0003-0528-1967 Elsevier science sa Lausanne

Solvent effects on the thermal and photochemical reactions of 4 '-iodo-8-methoxyflavylium and their consequences on the coloring phenomena caused by anthocyanins in plants - Gomes, R; A. J. Parola; J. C. Lima; Pina, F (Chemistry-a European Journal, 2006)
The chemistry and photochemistry of the compound 4'-iodo-8-methoxyflavylium tetrafluoroborate was studied in solvent mixtures of water and ethanol. The trans-chalcone form (0) is always the most stable species at equilibrium. In particular, for the first time, Ct and not the flavylium cation is reported as the most stable species in mixtures containing water at pH 1.0. The rate of Ct formation as a function of the water content exhibits a bell-shaped dependence, showing a maximum at approximately 50% water. These trends are explained by a slower cis-trans isomerization in ethanol relative to that in water due to the expected stabilization in polar solvents of the zwitterionic intermediate; on the other hand, the decrease in the concentration of cis-chalcone (Cc) in the pseudoequilibrium with increasing water content, gives rise to a decrease in the rate of Ct formation (k(obs)=k(real)[Cc]). The hydration reaction was found to be much more efficient when water is present in low concentrations. This result has important consequences for the interpretation of the coloring phenomena caused by anthocyanins in plants, as well as for applications of flavylium compounds in the field of optical memories.
ISI Document Delivery No.: 097SQTimes Cited: 5 Cited Reference Count: 37 Gomes, Raquel Parola, A. Jorge Lima, Joao C. Pina, Fernando Pina, Fernando/C-8161-2011; Parola, A. Jorge/F-4048-2010; REQUIMTE, AL/H-9106-2013; Lima, Joao/F-3658-2010 Parola, A. Jorge/0000-0002-1333-9076; Lima, Joao/0000-0003-0528-1967 Wiley-v c h verlag gmbh Weinheim

Specific interaction of citrate with bis(fluorophoric) bibrachial lariat aza-crown in comparison with the other components of the Krebs cycle - Clares, MP; Lodeiro, C.; Fernandez, D; A. J. Parola; Pina, F; Garcia-Espana, E; Soriano, C; Tejero, R. (Chemical Communications, 2006)
Among the Krebs cycle components, just citrate enhances the fluorescence of a new bi(brachial) lariat aza-crown containing appended naphthalene fluorophores.
ISI Document Delivery No.: 083WETimes Cited: 23 Cited Reference Count: 24 Clares, M. Paz Lodeiro, Carlos Fernandez, Damian Parola, A. Jorge Pina, Fernando Garcia-Espana, Enrique Soriano, Conxa Tejero, Roberto Pina, Fernando/C-8161-2011; Lodeiro, Carlos/B-4793-2013; Parola, A. Jorge/F-4048-2010; REQUIMTE, AL/H-9106-2013 Lodeiro, Carlos/0000-0001-5582-5446; Parola, A. Jorge/0000-0002-1333-9076; Royal soc chemistry Cambridge

Using hydrogen bonding-specific interactions to detect water in aprotic solvents at concentrations below 50 ppm - Pinheiro, C; J. C. Lima; A. J. Parola (Sensors and Actuators B-Chemical, 2006)
The outstanding solvatochromic properties of the complex Ru(bpy)(CN)(4)(2-), deriving from the ability of the nitrile goup to participate in H-bond interactions, were explored to develop a sensor for low concentrations of water on common organic aprotic solvents. In dry solvents, the maximum wavenumber of the low energy transition of Ru(bpy)(CN)(4)(2-) presents linear correlations with the Kamlet-Taft solvent acidity parameter (slope = 0.59 +/- 0.02, r > 0.99) and Gutman acceptor number (slope = (1.7 +/- 0.1) x 10(-2), r > 0.99). The slopes and regression coefficients of the correlations measure the sensitivity of the compound to H-bond donation by the solvent and confirm its high specificity towards the sensing of H-bond donating solvents, such as water. In acetonitrile, tetrahydrofuran, N,N-dimethylformamide, dichloromethane and toluene, the sensor presents spectral changes that respond linearly to water concentrations in the range 5-70 ppm and compete favorably with the widely spread Karl-Fisher method with a detection limit of similar to 50 ppm. The high sensitivity and the much simpler spectrophotometric titration, portends the use of this complex as an optical water sensor for determination of low water contents in organic solvents. (c) 2005 Elsevier B.V. All rights reserved.
ISI Document Delivery No.: 030RITimes Cited: 21 Cited Reference Count: 37 Pinheiro, C Lima, JC Parola, AJ Parola, A. Jorge/F-4048-2010; REQUIMTE, AL/H-9106-2013; Lima, Joao/F-3658-2010 Parola, A. Jorge/0000-0002-1333-9076; Lima, Joao/0000-0003-0528-1967 Elsevier science sa Lausanne

Functional Domains of the Bacillus subtilis Transcription Factor AraR and Identification of Amino Acids Important for Nucleoprotein Complex Assembly and Effector Binding - Franco, Irina Saraiva; Mota, Luís Jaime; Soares, Cláudio Manuel; Isabel de Sá-Nogueira (Journal of Bacteriology, 2006)
The Bacillus subtilis AraR transcription factor represses at least 13 genes required for the extracellular degradation of arabinose-containing polysaccharides, transport of arabinose, arabinose oligomers, xylose, and galactose, intracellular degradation of arabinose oligomers, and further catabolism of this sugar. AraR exhibits a chimeric organization comprising a small N-terminal DNA-binding domain that contains a winged helix-turn-helix motif similar to that seen with the GntR family and a larger C-terminal domain homologous to that of the LacI/GalR family. Here, a model for AraR was derived based on the known crystal structures of the FadR and PurR regulators from Escherichia coli. We have used random mutagenesis, deletion, and construction of chimeric LexA-AraR fusion proteins to map the functional domains of AraR required for DNA binding, dimerization, and effector binding. Moreover, predictions for the functional role of specific residues were tested by site-directed mutagenesis. In vivo analysis identified particular amino acids required for dimer assembly, formation of the nucleoprotein complex, and composition of the sugar-binding cleft. This work presents a structural framework for the function of AraR and provides insight into the mechanistic mode of action of this modular repressor.
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Analysis of the EEG dynamics of epileptic activity in gelastic seizures using decomposition in independent components - Alberto Leal; Ana I Dias; José P Vieira (Clinical Neurophysiology, 2006)

Analysis of the EEG dynamics of epileptic activity in gelastic seizures using decomposition in independent components - Leal, A; Dias, AI; Vieira, JP (Clinical Neurophysiology, 2006)

The BOLD Effect of Interictal Spike Activity in Childhood Occipital Lobe Epilepsy - Alberto Leal; Ana Dias; José P Vieira; Mário Secca; Constança Jordão (Epilepsia, 2006)

The BOLD Effect of Interictal Spike Activity in Childhood Occipital Lobe Epilepsy - Leal, A; Dias, A; Vieira, JP; Secca, M; Jordão, C (Epilepsia, 2006)

Changes in molecular dynamics upon formation of a polymer dispersed liquid crystal - A. R. Brás; M. T. Viciosa; Rodrigues, C. M.; C. J. Dias; M. Dionísio (Physical Review E, 2006)

A coherent approach to non-integer order derivatives - Ortigueira, M. (Signal Processing, 2006)
The relation showing that the Grunwald-Letnikov and generalised Cauchy derivatives are equal is presented. This establishes a bridge between two different formulations and simultaneously between the classic integer order derivatives and the fractional ones. Starting from the generalised Cauchy derivative formula, new relations are obtained, namely a regularised version that makes the concept of pseudo-function appear naturally without the need for a rejection of any infinite part. From the regularised derivative, new formulations are deduced and specialised first for the real functions and afterwards for functions with Laplace transforms obtaining the definitions proposed by Lionville. With these tools suitable definitions of fractional linear systems are obtained.

Cytochromes of Shewanella respiratory pathways - Louro, R.O.; Salgueiro, C.A. (Metal Ions in Biology and Medicine - volume 9, 2006)
No abstract included.

Dielectric Characterization of Neutralized and Nonneutralized Chitosan upon Drying - M. T. Viciosa; M. Dionísio; J.F. Mano (Biopolymers, 2006)

Fractional Centred Differences and Derivatives - Ortigueira, M. (Proceedings of the 2nd IFAC Workshop on Fractional Differentiation and its Applications, 2006)
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Interictal spike EEG source analysis in hypothalamic hamartoma epilepsy - Alberto Leal; Vitorina Passão; Eulália Calado; José P Vieira; João P Cunha (Clinical Neurophysiology, 2006)

Liquid Crystalline Behaviour of Chitosan in Formic, Acetic, Monochloroacetic Acid Solutions - Prabaharan, Mani; Borges, João Paulo; Godinho, Maria Helena; Mano, João F. (Materials Science Forum, 2006)
The objective of this work was to prepare polysaccharide-based gels exhibiting liquid crystalline properties. Such systems may be used in some optical or in biomedical applications, where biodegradability is required. Chitosan is a derivative of chitin, widely used in a series of medical applications. Due to its rigid structure, chitosan or its derivatives may show lyotropic mesophases in certain conditions. In this work, chitosan solutions were prepared by mixing completely the polysaccharide with different concentration of formic, acetic and monochloroacetic acids at room temperature. X-ray diffraction patterns of the gels did not show the existence of a crystalline structure. Finger-prints texture observed by polarised optical microscopy was attributed to a cholesteric liquid crystalline phase that usually develops in concentrated solutions. Values of the nematic chiral pitch (P) were determined in function of acid solution concentration. The critical concentrations (C*) to form a lyotropic liquid crystalline phase in formic, acetic and monochloroacetic acids were determined, and the obtained values were confronted with the expected critical concentration based on the Flory formalism. The critical concentration values were found to be dependent upon the acid used.

Replication fork blockage by transcription factor—DNA complexes in Escherichia coli - B. T. Payne; I. C. van Knippenberg; H. Bell; S. R. Filipe; D. J. Sherratt; P. McGlynn (Nucleic Acids Res, 2006)

Sensing of Gram-positive bacteria in Drosophila: GNBP1 is needed to process and present peptidoglycan to PGRP-SA - L. Wang; A. N. Weber; M. L. Atilano; S. R. Filipe; N. J. Gay; P. Ligoxygakis (EMBO J, 2006)

Solution structures of tetrahaem ferricytochrome c3 from Desulfovibrio vulgaris (Hildenborough) and its K45Q mutant: The molecular basis of cooperativity - Ana C. Messias; António P. Aguiar; Brennan, Lorraine; Salgueiro, C.A.; Saraiva, Lígia M.; Xavier, António V.; Turner, David L. (Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2006)
The NMR structure of the oxidised wild-type cytochrome c3 from Desulfovibrio vulgaris Hildenborough was determined in solution. Using a newly developed methodology, NMR data from the K45Q mutant was then grafted onto data from the wild-type protein to determine the structure in the region of the mutation. The structural origins of the redox-Bohr effect and haem–haem cooperativities are discussed with respect to the redox-related conformational changes observed in solution.

Thermodynamic Characterization of Triheme Cytochrome PpcA from Geobacter sulfurreducens: Evidence for a Role Played in e-/H+ Energy Transduction - Miguel Pessanha; Leonor Morgado; Ricardo O. Louro; Londer, Yuri Y.; Pokkuluri, P.R.; Schiffer, Marianne; Salgueiro, C.A. (Biochemistry, 2006)
The facultative aerobic bacterium Geobacter sulfurreducens produces a small periplasmic c-type triheme cytochrome with 71 residues (PpcA) under anaerobic growth conditions, which is involved in the iron respiration. The thermodynamic properties of the PpcA redox centers and of a protonatable center were determined using NMR and visible spectroscopy techniques. The redox centers have negative and different reduction potentials (−162, −143, and −133 mV for heme I, III, and IV, respectively, for the fully reduced and protonated protein), which are modulated by redox interactions among the hemes (covering a range from 10 to 36 mV) and by redox−Bohr interactions (up to −62 mV) between the hemes and a protonatable center located in the proximity of heme IV. All the interactions between the four centers are dominated by electrostatic effects. The microscopic reduction potential of heme III is the one most affected by the oxidation of the other hemes, whereas heme IV is the most affected by the protonation state of the molecule. The thermodynamic properties of PpcA showed that pH strongly modulates the redox behavior of the individual heme groups. A preferred electron transfer pathway at physiologic pH is defined, showing that PpcA has the necessary thermodynamic properties to perform e-/H+ energy transduction, contributing to a H+ electrochemical potential gradient across the periplasmic membrane that drives ATP synthesis. PpcA is 46% identical in sequence to and shares a high degree of structural similarity with a periplasmic triheme cytochrome c7 isolated from Desulfuromonas acetoxidans, a bacterium closely related to the Geobacteracea family. However, the results obtained for PpcA are quite different from those published for D. acetoxidans c7, and the physiological consequences of these differences are discussed.

Tracking of controlled Escherichia coli replication fork stalling and restart at repressor-bound DNA in vivo - C. Possoz*; S. R. Filipe*; I. Grainge; D. J. Sherratt (EMBO J, 2006)

Anomalous "unquenching" of the fluorescence decay times of beta-lactoglobulin induced by the known quencher acrylamide - Portugal, C. A. M.; Crespo, J. G.; J. C. Lima (Journal of Photochemistry and Photobiology B-Biology, 2006)
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Basicity and coordination properties of a new phenanthroline-based bis- macrocyclic receptor - Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Borsari, Lucia; Danesi, Andrea; Giorgi, Claudia; Lodeiro, Carlos; Mariani, Palma; Pina, Fernando; Santarelli, Samuele; Tamayo, Abel; Valtancoli, Barbara (Dalton Transactions, 2006)
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Times Cited: 25 Pina, Fernando/C-8161-2011; Lodeiro, Carlos/B-4793-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, C4O/M-5599-2013; REQUIMTE, UCIBIO/N-9846-2013; REQUIMTE, LAQV/N-9835-2013 Pina, Fernando/0000-0001-8529-6848; Lodeiro, Carlos/0000-0001-5582-5446; 25

beta-cyclodextrin and permethylated beta-cyclodextrin inclusion compounds of a cyclopentadienyl molybdenum tricarbonyl complex and their use as cyclooctene epoxidation catalyst precursors - Braga, Susana S.; Gago, Sandra; Seixas, Joao D.; Valente, Anabela A.; Pillinger, Martyn; Santos, Teresa M.; Goncalves, Isabel S.; Romao, Carlos C. (Inorganica Chimica Acta, 2006)
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Times Cited: 26 Santos Braga, Susana/G-2383-2010; Romao, Carlos /D-1162-2010; Pillinger, Martyn/H-2639-2013; Goncalves, Isabel/H-3742-2013; Valente, Anabela/H-5922-2013; Santos, Teresa/K-7178-2013; REQUIMTE, PHOTO/M-4229-2013; Gago, Sandra/H-5413-2012; REQUIMTE, LAQV/N-9835-2013 Santos Braga, Susana/0000-0003-4460-970X; Romao, Carlos /0000-0001-5061-3743; Pillinger, Martyn/0000-0002-6243-7692; Goncalves, Isabel/0000-0002-2836-7715; Gago, Sandra/0000-0003-0221-8508; 29

A coherent approach to non-integer order derivatives - Manuel Ortigueira (Signal Processing, 2006)
The relation showing that the Grunwald-Letnikov and generalised Cauchy derivatives are equal is presented. This establishes a bridge between two different formulations and simultaneously between the classic integer order derivatives and the fractional ones. Starting from the generalised Cauchy derivative formula, new relations are obtained, namely a regularised version that makes the concept of pseudo-function appear naturally without the need for a rejection of any infinite part. From the regularised derivative, new formulations are deduced and specialised first for the real functions and afterwards for functions with Laplace transforms obtaining the definitions proposed by Lionville. With these tools suitable definitions of fractional linear systems are obtained.
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Coordination features of a terpyridine-containing polyamine receptor. Effect of protonation on the photophysical properties of the complexes - Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Borsari, Lucia; Danesi, Andrea; Giorgi, Claudia; Mariani, Palma; Pina, Fernando; Santarelli, Samuele; Valtancoli, Barbara (Dalton Transactions, 2006)
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Times Cited: 8 Pina, Fernando/C-8161-2011; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Pina, Fernando/0000-0001-8529-6848; 8

Discolouration of architectural photoreproductions - Causes and prevention - Vilela, M; Ferreira, LM; Vieira, J (RESTAURATOR-INTERNATIONAL JOURNAL FOR THE PRESERVATION OF LIBRARY AND ARCHIVAL MATERIAL, 2006)
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Electrical impedance spectroscopy characterisation of supported ionic liquid membranes - Fortunato, R.; Branco, L. C.; C. A. M. Afonso; Benavente, J.; Crespo, J. G. (Journal of Membrane Science, 2006)
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Times Cited: 29 Branco, Luis/C-6426-2013; Crespo, Joao/D-8719-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, CENG/M-4555-2013; Mateus Afonso, Carlos Alberto/M-7833-2013; REQUIMTE, LAQV/N-9835-2013; PTMS, RNEM/C-1589-2014; iMed.ULisboa, iMed.ULisboa/C-6292-2014; iMed.ULisboa, BioOrgChem /B-4209-2014 Branco, Luis/0000-0003-2520-1151; Mateus Afonso, Carlos Alberto/0000-0002-7284-5948; 31

Electron-transfer mechanism of the triplet state quenching of aluminium tetrasulfonated phthalocyanine by cytochrome c - Laia, Cesar A. T.; Costa, Silvia M. B.; Ferreira, L. F. Vieira (Biophysical Chemistry, 2006)
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Times Cited: 8 Laia, Cesar/C-8651-2011; Costa, Silvia/H-7766-2012; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; Costa, Silvia/M-8085-2013; REQUIMTE, LAQV/N-9835-2013 Laia, Cesar/0000-0001-6410-6072; Costa, Silvia/0000-0002-6978-8903; 8

The first crystal structure of class III superoxide reductase from Treponema pallidum - Santos-Silva, T.; Trincao, J.; Carvalho, A. L.; Bonifacio, C.; Auchere, F.; Raleiras, P.; Moura, I.; Moura, J. J. G.; Romao, M. J. (Journal of Biological Inorganic Chemistry, 2006)
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Times Cited: 24 Carvalho, Ana Luisa/G-5638-2011; Romao, Maria/A-4115-2013; Moura, Jose/D-6426-2013; REQUIMTE, AL/H-9106-2013; Santos-Silva, Teresa/D-2050-2013; REQUIMTE, SMB/M-5694-2013; Moura, Isabel/D-6339-2013; REQUIMTE, UCIBIO/N-9846-2013 Carvalho, Ana Luisa/0000-0002-3824-0240; Romao, Maria/0000-0002-3004-0543; Moura, Isabel/0000-0003-0971-4977; 24

Fluorescence probing of structural and functional changes of proteins induced by ultrafiltration - Portugal, C. A. M.; J. C. Lima; Crespo, Joao G. (Desalination, 2006)
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Foresight methodologies to understand changes in the labour process: Experience from Portugal - António Moniz (University Library of Munich, Germany, 2006)
The foresight and scenario building methods can be an interesting reference for social sciences, especially in terms of innovative methods for labour process analysis. A scenario – as a central concept for the prospective analysis – can be considered as a rich and detailed portrait of a plausible future world. It can be a useful tool for policy-makers to grasp problems clearly and comprehensively, and to better pinpoint challenges as well as opportunities in an overall framework. The features of the foresight methods are being used in some labour policy making experiences. Case studies developed in Portugal will be presented, and some conclusions will be drawn in order to organise a set of principles for foresight analysis applied to the European project WORKS on the work organisation re-structuring in the knowledge society, and on the work design methods for new management structures of virtual organisations.
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Keywords: foresight; knowledge society; labour policy; Portugal; scenario; vir; work design; work organisation

Formate-reduced E-coli formate dehydrogenase H: the reinterpretation of the crystal structure suggests a new reaction mechanism - Raaijmakers, Hans C. A.; Romao, Maria Joao (Journal of Biological Inorganic Chemistry, 2006)
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Times Cited: 37 Romao, Maria/A-4115-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013 Romao, Maria/0000-0002-3004-0543; 37

Fractional calculus applications in signals and systems - Ortigueira, M.D.; Machado, J.A.T. (Elsevier, 2006)
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Fractional Centred Differences and Derivatives - Manuel Ortigueira (Proceedings of the 2nd IFAC Workshop on Fractional Differentiation and its Applications, 2006)
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Immobilisation of methyltrioxorhenium on functionalised MCM-41 - Gago, S.; Fernandes, J. A.; Abrantes, M.; Kuhn, F. E.; Ribeiro-Claro, P.; Pillinger, M.; Santos, T. M.; Goncalves, I. S. (Microporous and Mesoporous Materials, 2006)
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Times Cited: 10 Fernandes, Jose/B-8073-2008; Ribeiro-Claro, Paulo/C-6705-2008; Kuhn, Fritz/A-3113-2010; Abrantes, Marta/C-5140-2009; Pillinger, Martyn/H-2639-2013; Goncalves, Isabel/H-3742-2013; Santos, Teresa/K-7178-2013; REQUIMTE, PHOTO/M-4229-2013; Gago, Sandra/H-5413-2012; REQUIMTE, LAQV/N-9835-2013 Ribeiro-Claro, Paulo/0000-0001-5171-2153; Pillinger, Martyn/0000-0002-6243-7692; Goncalves, Isabel/0000-0002-2836-7715; Gago, Sandra/0000-0003-0221-8508; 11

Metallodendrimers containing both ruthenium (internal layer) and rhenium (external layer) - Angurell, Inma; Lima, Joao C.; Rodriguez, Lara-Isabel; Rodriguez, Laura; Rossell, Oriol; Seco, Miquel (New Journal of Chemistry, 2006)
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Molybdenum and tungsten enzymes: the xanthine oxidase family - Brondino, C. D.; Romao, M. J.; Moura, I.; Moura, J. J. G. (Current Opinion in Chemical Biology, 2006)
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Times Cited: 41 Romao, Maria/A-4115-2013; Moura, Jose/D-6426-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, SMB/M-5694-2013; Moura, Isabel/D-6339-2013; REQUIMTE, UCIBIO/N-9846-2013 Romao, Maria/0000-0002-3004-0543; Moura, Isabel/0000-0003-0971-4977; 41

A Neural PCA Approach To Fault Detection and Diagnosis in Nonlinear Dynamical Systems - Palma, L.; Coito, F.; Neves-Silva, R.; Almeida, F. (2006)
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On the fractional derivative of stationary stochastic processes - Ortigueira, M.D.; Batista, A.G. (CST2006 & ECT2006 Conferences, 2006)
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Photophysics of an indigo derivative (keto and leuco structures) with singular properties - de Melo, J. Seixas; Rondao, R.; Burrows, H. D.; Melo, MJ; Navaratnam, S.; Edge, R.; Voss, G. (Journal of Physical Chemistry A, 2006)
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Times Cited: 18 Melo, Maria Joao/C-8594-2011; Seixas de Melo, Sergio/A-5388-2008; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Melo, Maria Joao/0000-0001-7393-6801; Seixas de Melo, Sergio/0000-0001-9708-5079; 18

Probing the change of enzymatic activity of horseradish peroxidase induced by membrane permeation using tryptophan fluorescence - Portugal, Carla A. M.; J. C. Lima; Crespo, Joao G. (Journal of Membrane Science, 2006)
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Purification, crystallization and preliminary X-ray diffraction analysis of the glyoxalase II from Leishmania infantum - Trincao, Jose; Silva, Marta Sousa; Barata, Lidia; Bonifacio, Cecilia; Carvalho, Sandra; Tomas, Ana Maria; Ferreira, Antonio E. N.; Cordeiro, Carlos; Freire, Ana Ponces; Romao, Maria Joao (Acta Crystallographica Section F-Structural Biology and Crystallization Communications, 2006)
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Times Cited: 2 Lima, Marta/C-7042-2009; Ferreira, Antonio/E-6488-2012; Romao, Maria/A-4115-2013; REQUIMTE, AL/H-9106-2013; Tomas, Ana/J-9919-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013; PTMS, RNEM/C-1589-2014 Ferreira, Antonio/0000-0002-9625-8115; Romao, Maria/0000-0002-3004-0543; 8 2

Remotos e Virtuais: situação e perspectivas no DEE da FCT da UNL - Coito, F.; Gomes, L. (2006)
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The role of molybdenum in biology - Romao, Maria Joao (Metal Ions in Biology and Medicine, Vol 9, 2006)
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Times Cited: 1 Romao, Maria/A-4115-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013 Romao, Maria/0000-0002-3004-0543; 9th International Symposium on Metal Ions in Biology and Medicine May 21-24, 2006 Lisbon, PORTUGAL 1

Simple transformation of crystalline chiral natural anions to liquid medium and their use to induce chirality - Branco, Luis C.; Gois, Pedro M. P.; Lourenco, Nuno M. T.; Kurteva, Vanya B.; Afonso, Carlos A. M. (Chemical Communications, 2006)
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Times Cited: 61 Lourenco, Nuno/K-5088-2012; Branco, Luis/C-6426-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; Mateus Afonso, Carlos Alberto/M-7833-2013; REQUIMTE, LAQV/N-9835-2013; gois, pedro/A-9251-2014; PTMS, RNEM/C-1589-2014; iMed.ULisboa, iMed.ULisboa/C-6292-2014; iMed.ULisboa, BioOrgChem /B-4209-2014 Lourenco, Nuno/0000-0001-9329-2724; Branco, Luis/0000-0003-2520-1151; Mateus Afonso, Carlos Alberto/0000-0002-7284-5948; gois, pedro/0000-0002-7698-630X; 61

Spectral and photophysical studies of substituted indigo derivatives in their keto forms - de Melo, J. Sergio Seixas; Rondao, Raquel; Burrows, Hugh D.; Melo, Maria J.; Navaratnam, Suppiah; Edge, Ruth; Voss, Gundula (Chemphyschem, 2006)
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Times Cited: 26 Melo, Maria Joao/C-8594-2011; Seixas de Melo, Sergio/A-5388-2008; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Melo, Maria Joao/0000-0001-7393-6801; Seixas de Melo, Sergio/0000-0001-9708-5079; 26

Structural and electron paramagnetic resonance (EPR) studies of mononuclear molybdenum enzymes from sulfate-reducing bacteria - Brondino, Carlos D.; Rivas, Maria G.; Romao, Maria J.; Moura, Jose J. G.; Moura, Isabel (Accounts of Chemical Research, 2006)
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Times Cited: 28 Romao, Maria/A-4115-2013; Moura, Jose/D-6426-2013; Rivas, Maria/D-7883-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, SMB/M-5694-2013; Moura, Isabel/D-6339-2013; REQUIMTE, UCIBIO/N-9846-2013 Romao, Maria/0000-0002-3004-0543; Moura, Isabel/0000-0003-0971-4977; 28

Supercritical fluid polymerisation and impregnation of molecularly imprinted polymers for drug delivery - Ana Rita C. Duarte; Casimiro, Teresa; Aguiar-Ricardo, Ana; Ana Luísa Simplício; Duarte, Catarina M. M. (The Journal of Supercritical Fluids, 2006)
Herein the preparation of molecularly imprinted polymers (MIPs) using supercritical fluid technology is evaluated. Poly(diethylene glycol dimethacrylate), polyDEGDMA, was synthesised in supercritical carbon dioxide (scCO2) using a carboxylic acid end-capped perfluoropolyether oil as stabiliser. Polymerisations were carried out in the presence of different concentrations of two different template drug molecules, salicylic acid and acetylsalicylic acid. Results suggest that molecular imprinted polymers were successfully prepared by supercritical polymerisation and then impregnated with the template in order to prepare controlled release systems.
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Keywords: Cross-linking

Synthesis and characterization of layered double hydroxides intercalated by an oxomolybdenum complex - Gago, Sandra; Dias, Ana S.; Monteiro, Bernardo; Pillinger, Martyn; Valente, Anabela A.; Santos, Teresa M.; Goncalves, Isabel S. (Journal of Physics and Chemistry of Solids, 2006)
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Times Cited: 4 Monteiro, Bernardo/C-6940-2013; Pillinger, Martyn/H-2639-2013; Goncalves, Isabel/H-3742-2013; Valente, Anabela/H-5922-2013; Santos, Teresa/K-7178-2013; REQUIMTE, PHOTO/M-4229-2013; Gago, Sandra/H-5413-2012; REQUIMTE, LAQV/N-9835-2013 Pillinger, Martyn/0000-0002-6243-7692; Goncalves, Isabel/0000-0002-2836-7715; Gago, Sandra/0000-0003-0221-8508; Si 13th International Symposium on Intercalation Compounds (ISIC 13) Jun 06-09, 2005 Clermont Ferrand, FRANCE Thermo Electron Corp; Bruker AXS; Horiba Jobin Yvon; Jacomex; Boc Edwards; Inel 6

Theory and Application of NMR Diffusion Studies - Brand, T; E. J. Cabrita; Berger, S (Modern Magnetic Resonanc, 2006)
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Xyloglucan is recognized by carbohydrate-binding modules that interact with beta-glucan chains - Najmudin, S.; Guerreiro, Cipd; Carvalho, A. L.; Prates, J. A. M.; Correia, M. A. S.; Alves, V. D.; Ferreira, L. M. A.; Romao, M. J.; Gilbert, H. J.; Bolam, D. N.; Fontes, Cmga (Journal of Biological Chemistry, 2006)
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Times Cited: 42 Carvalho, Ana Luisa/G-5638-2011; Romao, Maria/A-4115-2013; REQUIMTE, AL/H-9106-2013; Prates, Jose/K-9934-2013; Correia, Marcia/D-2077-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013 Carvalho, Ana Luisa/0000-0002-3824-0240; Romao, Maria/0000-0002-3004-0543; Prates, Jose/0000-0003-1032-5987; Correia, Marcia/0000-0003-0636-8095; 42

{Comparative report - WORKS WP5 Policy pillar} - Meil, Pamela; Trommel, Willem; Bannink, Duco; Hoogenboom, Marcel; Moniz, Antonio; Woll, Tobias; Makó, Czaba; Csizmadia, Péter; Illessy, Miklós; Balkmar, Dag; Linardos, Petros (ZBW - German National Library of Economics, 2006)
This report begins with some general information and analysis of policy and regulation that were the subjects of discussion and exchange in the policy pillar in the first phase of WORKS. The second section is a synthesis of country information on general principles and trends of policy and policy enforcement. This is followed by a summary of sector information for the sectors chosen by the qualitative pillar to be the objects of empirical analysis. The last summarises research questions and dimensions to be guidelines for carrying out case studies and capturing the relevance and effects of policy and institutions at the workplace.
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Keywords: labour policy; policy enforcement; qualitative research; workplace

{Foresight methodologies to understand changes in the labour process: Experience from Portugal} - António Moniz (University Library of Munich, Germany, 2006)
The foresight and scenario building methods can be an interesting reference for social sciences, especially in terms of innovative methods for labour process analysis. A scenario – as a central concept for the prospective analysis – can be considered as a rich and detailed portrait of a plausible future world. It can be a useful tool for policy-makers to grasp problems clearly and comprehensively, and to better pinpoint challenges as well as opportunities in an overall framework. The features of the foresight methods are being used in some labour policy making experiences. Case studies developed in Portugal will be presented, and some conclusions will be drawn in order to organise a set of principles for foresight analysis applied to the European project WORKS on the work organisation re-structuring in the knowledge society, and on the work design methods for new management structures of virtual organisations.
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Keywords: foresight; knowledge society; labour policy; Portugal; scenario; vir; work design; work organisation

{Internet für alle? Die Diskussion des »digital divide« revisited [Internet for all? The Discussion on the "digital divide" revisited]} - Krings, Bettina; Riehm, Ulrich (2006)
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Keywords: den Umgang mit dieser Technologie als offenen Prozess umzudeuten; der keine Festlegungen der Nutzungsbedingungen des Internets vornimmt. Dieses Vorgehen vermeidet eine technikdeterministische Sichtweise und ermöglicht die Bewertung der Internetnutzung als eine funktionale Handlungsmöglichkeit unter mehreren Möglichkeite; die das Bedrohungspotential des digital divide entkräften sowie von ihren deterministischen Komponenten der Technikentwicklung befreien wollen.; Die Diskussion um das digital divide oder die digitale Spaltung; die in den folgenden Ausführungen diskutiert werden soll mit dem Ziel; die schon Mirko Marr (2004) gestellt hat; die sich kontraproduktiv auf die Perspektive der Nutzungsbedingungen der Informations- und Kommunikationstechnologien (im Folgenden auch IuK) auswirkt und bestimmte Sichtweisen ausblendet.2 Die Frage: Wer hat Angst vor der digitalen Spaltung?; diese Debatte nach techniksoziologischen Ansätzen zu bündeln (3). Schließlich werden in einem Ausblick kritische Stimmen dieses Ansatzes diskutiert; indem im ersten Schritt der originäre Diskussionszusammen-zweiten Schritt seine wissenschaftliche Differenzierung darzustellen (2). Im Anschluss daran wird der Versuch unternommen; ist die Stoßrichtung der Debatte; so unsere These; von einer dualistischen Struktur geprägt; weist genau auf diese Engführung der Sichtweise; wie sie für den deutschsprachigen Raum übersetzt wird; wird nun schon seit nahezu zehn Jahren intensiv geführt.1 Vor allem im Rahmen der politischen Diskussion hat sich das Bedrohungsszenario einer digitalen Spaltung innerhalb der Gesellschaften festgesetzt. Aber auch weite Teile der wissenschaftlichen Debatt

{Naturalness and Neuronal Implants – Changes in the perception of human beings} - Fiedeler, Ulrich; Krings, Bettina (University Library of Munich, Germany, 2006)
With our contribution we would like to refer to the debate on nanotechnology (NT) and its implications for the public discourse on the relationship of human beings and technologies. Within NT the convergence of some technologies has been considered as a crucial step towards the long term objective of “enhancing human performance”. The discussion was initiated with an US-American workshop in the year 2002, where the innovative character of converging technology (CT) was strongly underlined (Roco 2002). In the final document of the workshop futuristic and far reaching scenarios on technical development based on NT and on CT were presented. First we address the implications of the mentioned document for research policy in general and especially of NT. Based on the example of neural implants we second qualify the normative expectations within the debate without however denying the helpfulness of these innovations especially in the field of medicine. But we third agree on a critical discussion, which consider a new quality of technological penetration into social and human processes.
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Keywords: converging technology; innovation; medicine; nanotechnology; socio-economic implications

{The sociological perspective on the knowledge-based society: assumptions, facts and visions} - Krings, Bettina (University Library of Munich, Germany, 2006)
The paper will present the central discourse of the knowledge-based society. Already in the 1960s the debate of the industrial society already raised the question whether there can be considered a paradigm shift towards a knowledge-based society. Some prominent authors already foreseen ‘knowledge’ as the main indicator in order to displace ‘labour’ and ‘capital’ as the main driving forces of the capitalistic development. Today on the political level and also in many scientific disciplines the assumption that we are already living in a knowledge-based society seems obvious. Although we still do not have a theory of the knowledge-based society and there still exist a methodological gap about the empirical indicators, the vision of a knowledge-based society determines at least the perception of the Western societies. In a first step the author will pinpoint the assumptions about the knowledge-based society on three levels: on the societal, on the organisational and on the individual level. These assumptions are relied on the following topics: a) The role of the information and communication technologies; b) The dynamic development of globalisation as an ‘evolutionary’ process; c) The increasing importance of knowledge management within organisations; d) The changing role of the state within the economic processes. Not only the differentiation between the levels but also the revision of the assumptions of a knowledge-based society will show that the ‘topics raised in the debates’ cannot be considered as the results of a profound societal paradigm shift. However what seems very impressive is the normative and virtual shift towards a concept of modernity, which strongly focuses on the role of technology as a driving force as well as on the global economic markets, which has to be accepted. Therefore – according to the official debate - the successful adaptation of these processes seems the only way to meet the knowledge-based society. Analysing the societal changes on the
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Keywords: industrial society; knowledge management; knowledge-based society; organisations; technology

Processamento Digital de Sinais - Manuel Ortigueira (Edição do Serviço de Educação e Bolsas da Fundação Calouste Gulbenkian, 2005)
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Intermolecular interaction as investigated by NOE and diffusion studies - Brand, T; E. J. Cabrita; Berger, S (Progress in Nuclear Magnetic Resonance Spectroscopy, 2005)
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Methods for Scenario-building: it’s importance for policy analysis - António Moniz (University Library of Munich, Germany, 2005)
A scenario is a policy analysis tool that describes a possible set of future conditions. The most useful scenarios (for corporations, for policy decision makers) are those that display the conditions of important variables over time. In this approach, the quantitative underpinning enriches the narrative evolution of conditions or evolution of the variables; narratives describe the important events and developments that shape the variables. In terms of innovative methods for policy analysis, the foresight and scenario building methods can be an interesting reference for social sciences. Some examples of these exercises will be present in this paper, either related to vision in science and technology developments, social and technological futures, or related to aggregated indicators on human development. Two cases (Japan and Germany) are held on behalf the ministries of science and education (respectively, MEXT and BMBF), and another with the support of United Nations.
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Keywords: forecasting methods; foresight; policy analysis; scenarios; technological futures

{Methods for Scenario-building: it’s importance for policy analysis} - António Moniz (University Library of Munich, Germany, 2005)
A scenario is a policy analysis tool that describes a possible set of future conditions. The most useful scenarios (for corporations, for policy decision makers) are those that display the conditions of important variables over time. In this approach, the quantitative underpinning enriches the narrative evolution of conditions or evolution of the variables; narratives describe the important events and developments that shape the variables. In terms of innovative methods for policy analysis, the foresight and scenario building methods can be an interesting reference for social sciences. Some examples of these exercises will be present in this paper, either related to vision in science and technology developments, social and technological futures, or related to aggregated indicators on human development. Two cases (Japan and Germany) are held on behalf the ministries of science and education (respectively, MEXT and BMBF), and another with the support of United Nations.
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Keywords: forecasting methods; foresight; policy analysis; scenarios; technological futures

Redesigning work organizations and technologies: experiences from European projects - António Moniz (University Library of Munich, Germany, 2005)
Currently distributed business process (re) design (resulting in components of business networks) basically relies on technical criteria. And that are the main purposes of most research projects supported by EC. Through the process of building a European Research Area, this means a strong influence in the national research programmes. However it is generally accepted that it should also take into account social criteria and aspects such as the quality of working life, or participation in decision processes. Those were some of the objectives of projects in de 80s decade, and framed some of the main concepts and scientific approaches to work organisation. The democratic participation of network and organisations members in the design process is a critical success factor. This is not accepted by everyone, but is based in sufficient case studies. Nevertheless, in order to achieve an optimization that can satisfying the requirements of agility of a network of enterprises, more complex design methods must be developed. Thus, the support to the collaborative design of distributed work in a network of enterprises, through a concurrent approaching business processes, work organisation and task content is a key factor to achieve such purposes. Increasing needs in terms of amounts of information, agility, and support for collaboration without time and space constrains, imposes the use of a computer-based model.
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Keywords: business process; collaborative design; decision processes; networks

{Redesigning work organizations and technologies: experiences from European projects} - António Moniz (University Library of Munich, Germany, 2005)
Currently distributed business process (re) design (resulting in components of business networks) basically relies on technical criteria. And that are the main purposes of most research projects supported by EC. Through the process of building a European Research Area, this means a strong influence in the national research programmes. However it is generally accepted that it should also take into account social criteria and aspects such as the quality of working life, or participation in decision processes. Those were some of the objectives of projects in de 80s decade, and framed some of the main concepts and scientific approaches to work organisation. The democratic participation of network and organisations members in the design process is a critical success factor. This is not accepted by everyone, but is based in sufficient case studies. Nevertheless, in order to achieve an optimization that can satisfying the requirements of agility of a network of enterprises, more complex design methods must be developed. Thus, the support to the collaborative design of distributed work in a network of enterprises, through a concurrent approaching business processes, work organisation and task content is a key factor to achieve such purposes. Increasing needs in terms of amounts of information, agility, and support for collaboration without time and space constrains, imposes the use of a computer-based model.
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Keywords: business process; collaborative design; decision processes; networks

Editorial Note - António Moniz; Rogério Puga Leal (Enterprise and Work Innovation Studies, 2005)
No abstract is available for this item.
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Practices and trends of telework in the Portuguese industry: the results of surveys in the textile, metal and software sectors - Urze, Paula; Barroso, Sónia; Moniz, António B. (Enterprise and Work Innovation Studies, 2005)
The aim of the TeleRisk Project on labour relations and professional risks within the context of teleworking in Portugal – supported by IDICT – Institute for Development and Inspection of Working Conditions (Ministry of Labour), is to study the practices and forms of teleworking in the manufacturing sectors in Portugal. The project chose also the software industry as a reference sector, even though it does not intend to exclude from the study any other sector of activity or the so-called “hybrid” forms of work. However, the latter must have some of the characteristics of telework. The project thus takes into account the so-called “traditional” sectors of activity, namely textile and machinery and metal engineering (machinery and equipment), not usually associated to this type of work. However, telework could include, in the so-called “traditional” sectors, other variations that are not found in technologically based sectors. One of the evaluation methods for the dynamics associated to telework consisted in carrying out surveys by means of questionnaires, aimed at employers in the sectors analysed. This paper presents some of the results of those surveys. It is important to mention that, being a preliminary analysis, it means that it does not pretend to have exhausted all the issues in the survey, but has meant that it shows the bigger tendencies, in terms of teleworking practices, of the Portuguese industry.
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Keywords: Manufacturing; organisation of work; Portugal; teleworking

Editorial Note - António Moniz; Rogério Puga Leal (Enterprise and Work Innovation Studies, 2005)
No abstract is available for this item.
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{Practices and trends of telework in the Portuguese industry: the results of surveys in the textile, metal and software sectors} - Urze, Paula; Barroso, Sónia; Moniz, António B. (Enterprise and Work Innovation Studies, 2005)
The aim of the TeleRisk Project on labour relations and professional risks within the context of teleworking in Portugal – supported by IDICT – Institute for Development and Inspection of Working Conditions (Ministry of Labour), is to study the practices and forms of teleworking in the manufacturing sectors in Portugal. The project chose also the software industry as a reference sector, even though it does not intend to exclude from the study any other sector of activity or the so-called “hybrid” forms of work. However, the latter must have some of the characteristics of telework. The project thus takes into account the so-called “traditional” sectors of activity, namely textile and machinery and metal engineering (machinery and equipment), not usually associated to this type of work. However, telework could include, in the so-called “traditional” sectors, other variations that are not found in technologically based sectors. One of the evaluation methods for the dynamics associated to telework consisted in carrying out surveys by means of questionnaires, aimed at employers in the sectors analysed. This paper presents some of the results of those surveys. It is important to mention that, being a preliminary analysis, it means that it does not pretend to have exhausted all the issues in the survey, but has meant that it shows the bigger tendencies, in terms of teleworking practices, of the Portuguese industry.
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Keywords: Manufacturing; organisation of work; Portugal; teleworking

{The Gap Between Knowledge and Action: Obstacles, Restraints and Deficits During the Execution of Refurbishments} - Woll, Tobias (Enterprise and Work Innovation Studies, 2005)
This article outlines the initial draft of a PhD project which investigates refurbishment or rehabilitation projects in two German cities. The study focuses on obstacles, restraints and deficits as well as factors of success, which can be identified during the execution of the refurbishments. Moreover the study examines the process of the refurbishment itself, the general conditions under which the refurbishments are being executed as well as the implementation of sustainability criteria. First the article gives a short summary of the theoretical considerations of the study. In this respect it shortly outlines the global conditions of urban development and conducting challenges for cities in the 21st century, guiding principles of a sustainable urban development as well as goals of sustainable refurbishments. Finally the article shortly describes the case studies and presents the initial results of the empirical work.
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Keywords: construction; Germany; refurbishment; sustainability; urban development

Superoxide reductase from the syphilis spirochete Treponema pallidum: crystallization and structure determination using soft X-rays - Santos-Silva, T.; Trincao, J.; Carvalho, A. L.; Bonifacio, C.; Auchere, F.; Moura, I.; Moura, J. J.; Romao, M. J. (Acta Crystallogr Sect F Struct Biol Cryst Commun, 2005)
Superoxide reductase is a 14 kDa metalloprotein containing a catalytic non-haem iron centre [Fe(His)4Cys]. It is involved in defence mechanisms against oxygen toxicity, scavenging superoxide radicals from the cell. The oxidized form of Treponema pallidum superoxide reductase was crystallized in the presence of polyethylene glycol and magnesium chloride. Two crystal forms were obtained depending on the oxidizing agents used after purification: crystals grown in the presence of K3Fe(CN)6 belonged to space group P2(1) (unit-cell parameters a = 60.3, b = 59.9, c = 64.8 A, beta = 106.9 degrees) and diffracted beyond 1.60 A resolution, while crystals grown in the presence of Na2IrCl6 belonged to space group C2 (a = 119.4, b = 60.1, c = 65.6 A, beta = 104.9 degrees) and diffracted beyond 1.55 A. A highly redundant X-ray diffraction data set from the C2 crystal form collected on a copper rotating-anode generator (lambda = 1.542 A) clearly defined the positions of the four Fe atoms present in the asymmetric unit by SAD methods. A MAD experiment at the iron absorption edge confirmed the positions of the previously determined iron sites and provided better phases for model building and refinement. Molecular replacement using the P2(1) data set was successful using a preliminary trace as a search model. A similar arrangement of the four protein molecules could be observed.
1744-3091 (Electronic)1744-3091 (Linking)Journal ArticleResearch Support, Non-U.S. Gov't
Keywords: Crystallization; Crystallography, X-Ray; Dimerization; Escherichia coli/metabolism; Iron/chemistry; Models, Chemical; Models, Molecular; Oxidoreductases/*chemistry; Polyethylene Glycols/chemistry; Protein Conformation; Protein Structure, Tertiary; Spirochaetales/metabolism; Superoxides/chemistry; Treponema pallidum/*enzymology; X-ray diffraction

Mapeamento De Indicadores de Qualificação e de Competência Profissional Num Sistema Complexo De Trabalho. O Caso Dos Serviços De Controlo De Tráfego Aéreo [Mapping of Qualification and Profes - Sampaio, José; António Moniz (University Library of Munich, Germany, 2005)
Flexibilisation and complexification of working places, due to the information technologies, requires an holistic approach to the labour reality, in an integrative and wide perspective of different scenarios and operational contexts. Such new changes implies the development of new personal and professional features that are beyond the restrict frame of the autonomous, discrete and specialised work. The knowledge needed for the work in organisations can be searched in the working processes modelling. And that can be a constructive basis of a “knowledge map”. Thus, are described the activities of different working processes, and that induces the emergence of a group of informations (indicators) necessary to the construction of each competence that supports the execution of those processes. This action even allows the existence of possible gaps in the strategies of long-life education and training. They assume more and more a critical support to the need of updating and maintenance of professional competences. How to identify and operationalise the professional competences in a working complex system is one of the main issues in this paper. The case study presented in this paper is refered to the air traffic control and it presents the methodology used for the identification and validation of a group of structuring professional competencies that are evident in a complex working system.
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Keywords: air traffic control; complex working system; information technologies; occupations; professional com

{Mapeamento De Indicadores de Qualificação e de Competência Profissional Num Sistema Complexo De Trabalho. O Caso Dos Serviços De Controlo De Tráfego Aéreo [Mapping of Qualification and Professional} - Sampaio, José; António Moniz (University Library of Munich, Germany, 2005)
Flexibilisation and complexification of working places, due to the information technologies, requires an holistic approach to the labour reality, in an integrative and wide perspective of different scenarios and operational contexts. Such new changes implies the development of new personal and professional features that are beyond the restrict frame of the autonomous, discrete and specialised work. The knowledge needed for the work in organisations can be searched in the working processes modelling. And that can be a constructive basis of a “knowledge map”. Thus, are described the activities of different working processes, and that induces the emergence of a group of informations (indicators) necessary to the construction of each competence that supports the execution of those processes. This action even allows the existence of possible gaps in the strategies of long-life education and training. They assume more and more a critical support to the need of updating and maintenance of professional competences. How to identify and operationalise the professional competences in a working complex system is one of the main issues in this paper. The case study presented in this paper is refered to the air traffic control and it presents the methodology used for the identification and validation of a group of structuring professional competencies that are evident in a complex working system.
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Keywords: air traffic control; complex working system; information technologies; occupations; professional com

Isolation and spectroscopic characterization of the membrane-bound nitrate reductase from Pseudomonas chlororaphis DSM 50135 - Pinho, D.; Besson, S.; Silva, P. J.; de Castro, B.; Moura, I. (Biochimica Et Biophysica Acta-General Subjects, 2005)
A nitrate reductase was solubilized with Triton X-100 from the membranes of Pseudomonas chlororaphis DSM 50135 grown microaerobically in the presence of nitrate. Like other membrane-bound nitrate reductases, it contains three subunits, of 129, 66 (64) and 24 kDa, referred to in the literature as alpha, beta and gamma, respectively. Electrocatalytic studies revealed that only the membrane-bound, not the solubilized form of the enzyme, can accept electrons from a menaquinone analog, menadione, whereas both forms can accept electrons from methylviologen. The isolated enzyme possesses several iron-sulfur clusters and a molybdopterin guanine dinucleotide active center. The iron-sulfur clusters can be grouped in two classes according to their redox properties, the high-potential and low-potential clusters. In the as-isolated enzyme, two forms of the molybdenum center, high- and low-pH, are detectable by electron paramagnetic resonance spectroscopy. The low-pH form shows a hyperfine splitting due to a proton, suggesting the presence of an -OHx ligand. Dithionite reduces the Mo(V) center to Mo(W) and subsequent reoxidization with nitrate originates a new Mo(V) signal, identical to the oxidized low-pH form but lacking its characteristic hyperfine splitting. The isolated preparation also contains heme c (in a sub-stoichiometric amount) with the ability to relay electrons to the molybdenum center, suggesting that this nitrate reductase may contain heme c instead of the heme b usually found in this class of enzymes. (c) 2005 Elsevier B.V. All rights reserved.
Times Cited: 4

Models and Practices in the Motor Vehicle Industry – contrasting cases from the Portuguese experience - Machado, Tiago; António Moniz (University Library of Munich, Germany, 2005)
This paper presents and discusses two case studies in the Portuguese motor vehicle industry – Salvador Caetano’s Ovar Industrial Division (SCOID), a ‘Brownfield site’ with minority Toyota ownership; and Autoeuropa, a ‘Greenfield site’ wholly owned by Volkswagen. Basically, it considers the scope for the meaningful application of ‘Japanese’ organisational methods in these contexts, focusing on the human factor – i.e. as close as possible to the actors on the shop floor. After providing some insights into the Portuguese automotive industry, it profiles both SCOID and Autoeuropa and assesses each of their methods of work, within this balance of commitment between global and local. The main findings reveal the lag that can exist between theoretical models (namely those following a geographical criteria) and the actual practice carried out by manufacturers when tested outside their point of geographical origin.
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Keywords: case studies; hybridisation; Lean Production; Motor vehicle industry; Toyota; Vo; work organisation

{Hen or Egg? The relationship between IC-technologies and social exclusion} - Krings, Bettina (University Library of Munich, Germany, 2005)
If we take a look at developments on the labour market, we find that the rate of employment stands in a close relationship to the introduction of new technologies and their social and cultural consequences. The immediate effects of new technologies on new forms of work-structures are, in fact, difficult to determine empirically. In order to avoid a strong technological bias in the scientific perspective, it seems important to consider carefully the normative objectives and goals, which are connected with the introduction of IC-technologies. But nevertheless it is difficult to define clearly the causes and the effects of new technologies as well as the technical changes and its social consequences. The intention of the article is to present the concept of social exclusion within the SOWING-project. Of course this concept is embedded in the scientific debate of the Information Society, which has a strong technological focus and represents the discussion of the Western, highly industrialized societies. But nevertheless the empirical findings of the SOWING project come to the general conclusion, that the rise of new forms of social exclusion cannot be considered as the result of the introduction of ICT, but as the result of the normative idea of a more effective and global organized economy. The social consequences of this development depend strongly on the establishment of a democratic procedure, which integrates the concerning social groups.
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Keywords: employment; new technologies; social exclusion

{Models and Practices in the Motor Vehicle Industry – contrasting cases from the Portuguese experience} - Machado, Tiago; António Moniz (University Library of Munich, Germany, 2005)
This paper presents and discusses two case studies in the Portuguese motor vehicle industry – Salvador Caetano’s Ovar Industrial Division (SCOID), a ‘Brownfield site’ with minority Toyota ownership; and Autoeuropa, a ‘Greenfield site’ wholly owned by Volkswagen. Basically, it considers the scope for the meaningful application of ‘Japanese’ organisational methods in these contexts, focusing on the human factor – i.e. as close as possible to the actors on the shop floor. After providing some insights into the Portuguese automotive industry, it profiles both SCOID and Autoeuropa and assesses each of their methods of work, within this balance of commitment between global and local. The main findings reveal the lag that can exist between theoretical models (namely those following a geographical criteria) and the actual practice carried out by manufacturers when tested outside their point of geographical origin.
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Keywords: case studies; hybridisation; Lean Production; Motor vehicle industry; Toyota; Vo; work organisation

ECG Wave Detector and Delineation with Wavelets - Pinto, IV; Alves, L.B.; Manuel Ortigueira; Arnaldo Batista (International Conference on Computational Intelligence in Medicine and Healthcare, CIMED 2005, 2005)
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ECG Wave Detector and Delineation with Wavelets - Pinto, IV; Alves, L.B.; Ortigueira, M.; Batista, A. (International Conference on Computational Intelligence in Medicine and Healthcare, CIMED 2005, 2005)
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A Modified EMD Algorithm for Application in Biomedical Signal Processing - Raul Rato; Manuel Ortigueira (International Conference on Computational Intelligence in Medicine and Healthcare, CIMED 2005, 2005)
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A Modified EMD Algorithm for Application in Biomedical Signal Processing - Rato, R.; Ortigueira, M. (International Conference on Computational Intelligence in Medicine and Healthcare, CIMED 2005, 2005)
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Which Differintegration? - Manuel Ortigueira; J.A. Tenreiro-Machado; J. Sá da Costa (IEE Proceedings Vision, Image & Signal Processing, 2005)
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Identification of a novel small-molecule inhibitor of the hypoxia-inducible factor 1 pathway - Tan, C; de Noronha, RG; Roecker, AJ; Pyrzynska, B; Khwaja, F; Zhang, ZB; Zhang, HC; Teng, Q; Nicholson, AC; Giannakakou, P; Zhou, W; Olson, JJ; et al. (CANCER RESEARCH, 2005)
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Colorimetric detection of eukaryotic gene expression with DNA-derivatized gold nanoparticles - Baptista, Pedro Miguel Ribeiro Viana; Gonçalo Dória; David Henriques; Eulália Pereira; Ricardo Franco (Journal of Biotechnology, 2005)
Thiol-linked DNA-gold nanoparticles were used in a novel colorimetric method to detect the presence of specific mRNA from a total RNA extract of yeast cells. The method allowed detection of expression of the FSY1 gene that encodes a specific fructose/H+ symporter in Saccharomyces bayanus PYCC 4565. FSY1 is strongly expressed when the yeast is grown in fructose as the sole carbon source, while cells cultivated in glucose as the sole carbon source repress gene expression. The presence of FSY1 mRNA is detected based on color change of a sample containing total RNA extracted from the organism and gold nanoparticles derivatized with a 15-mer of complementary single stranded DNA upon addition of NaCl. If FSY1 mRNA is present, the solution remains pink, changing to blue-purple in the absence of FSY1 mRNA. Direct detection of specific expression was possible from only 0.3 microg of unamplified total RNA without any further enhancement. This novel method is inexpensive, very easy to perform as no amplification or signal enhancement steps are necessary and takes less than 15 min to develop after total RNA extraction. No temperature control is necessary and color change can be easily detected visually.
Sem pdf.
Keywords: Biosensors; Gene expression detection; Gold nanoparticles; nanotechnology; RNA detection

The methylenetetrahydrofolate reductase (MTHFR) 677C-->T mutation and cardiovascular risk--A case of ischemic stroke and acute myocardial infarction - Melo, M.; Gaspar, E.; Madeira, S.; de Moura, P.; Alexandrino, B.; de Moura, J. J. (Rev Port Cardiol, 2005)
The authors report the case of a 39-year-old male patient who had an ischemic stroke (complete infarction of right anterior cerebral circulation) and an acute myocardial infarction during the same year. Molecular study revealed he was homozygous for the 677C-->T mutation in the gene coding for methylenetetrahydrofolate reductase, a key enzyme of folate metabolism; deficiency of this enzyme is associated with increased cardiovascular risk and neurological lesions. Some considerations are put forward about hyperhomocysteinemia and the MTHFR 677C-->T mutation as cardiovascular risk factors.
0870-2551 (Print)0870-2551 (Linking)Case ReportsJournal Article
Keywords: *Mutation; Adult; Brain Infarction/complications/*genetics; Humans; Hyperhomocysteinemia/complications; Male; Methylenetetrahydrofolate Reductase (NADPH2)/*genetics; Myocardial Infarction/complications/*genetics; Risk Factors

Principles in genetic risk assessment. - Baptista, Pedro Miguel Ribeiro Viana (Ther Clin Risk Manag, 2005)
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New enantioselective method for hydration of alkenes using cyclodextrins as phase transfer catalyst - Abreu, AR; Costa, I.; Rosa, C; Ferreira, LM; Lourenco, A.; Santos, PP (TETRAHEDRON, 2005)
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Interactions of vanadium(V)-citrate complexes with the sarcoplasmic reticulum calcium pump - Aureliano, M.; Tiago, T.; Gandara, R. M.; Sousa, A.; Moderno, A.; Kaliva, M.; Salifoglou, A.; Duarte, R. O.; Moura, J. J. (J Inorg Biochem, 2005)
Among the biotargets interacting with vanadium is the calcium pump from the sarcoplasmic reticulum (SR). To this end, initial research efforts were launched with two vanadium(V)-citrate complexes, namely (NH(4))(6)[V(2)O(4)(C(6)H(4)O(7))(2)].6H(2)O and (NH(4))(6)[V(2)O(2)(O(2))(2)(C(6)H(4)O(7))(2)].4H(2)O, potentially capable of interacting with the SR calcium pump by combining kinetic studies with (51)V NMR spectroscopy. Upon dissolution in the reaction medium (concentration range: 4-0.5mM), both vanadium(V):citrate (VC) and peroxovanadium(V):citrate (PVC) complexes are partially converted into vanadate oligomers. A 1mM solution of the PVC complex, containing 184microM of the PVC complex, 94microM oxoperoxovanadium(V) (PV) species, 222microM monomeric (V1), 43microM dimeric (V2) and 53microM tetrameric (V4) species, inhibits Ca(2+) accumulation by 75 %, whereas a solution of the VC complex of the same vanadium concentration, containing 98microM of the VC complex, 263microM monomeric (V1), 64microM dimeric (V2) and 92microM tetrameric (V4) species inhibits the calcium pump activity by 33 %. In contrast, a 1 mM metavanadate solution, containing 460microM monomeric (V1), 90.2microM dimeric (V2) and 80microM tetrameric (V4) species, has no effect on Ca(2+) accumulation. The NMR signals from the VC complex (-548.0ppm), PVC complex (-551.5ppm) and PV (-611.1ppm) are broadened upon SR vesicle addition (2.5mg/ml total protein). The relative order for the half width line broadening of the NMR signals, which reflect the interaction with the protein, was found to be V4>PVC>VC>PV>V2=V1=1, with no effect observed for the V1 and V2 signals. Putting it all together the effects of two vanadium(V)-citrate complexes on the modulation of calcium accumulation and ATP hydrolysis by the SR calcium pump reflected the observed variable reactivity into the nature of key species forming upon dissolution of the title complexes in the reaction media.
0162-0134 (Print)0162-0134 (Linking)In VitroJournal ArticleResearch Support, Non-U.S. Gov't
Keywords: Animals; Calcium-Transporting ATPases/*drug effects/*metabolism; Calcium/metabolism; Magnetic Resonance Spectroscopy; Muscle, Skeletal/drug effects/metabolism; Organometallic Compounds/chemistry/*pharmacology; Rabbits; Sarcoplasmic Reticulum/*drug effects/*metabolism; Vanadates/chemistry/*pharmacology

Fractional Differences Integral Representation and its use to define Fractional Differintegrations - Manuel Ortigueira (the ENOC-2005, Fifth EUROMECH Nonlinear Dynamics Conference, 2005)
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Fractional Differences Integral Representation and its use to define Fractional Differintegrations - Ortigueira, M. (the ENOC-2005, Fifth EUROMECH Nonlinear Dynamics Conference, 2005)
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A new look at the differintegration definition - Manuel Ortigueira (ENOC-2005, Fifth EUROMECH Nonlinear Dynamics Conference, 2005)
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A new look at the differintegration definition - Ortigueira, M. (ENOC-2005, Fifth EUROMECH Nonlinear Dynamics Conference, 2005)
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Study of the spin-spin interactions between the metal centers of Desulfovibrio gigas aldehyde oxidoreductase: identification of the reducible sites of the [2Fe-2S]1+,2+ clusters - More, C.; Asso, M.; Roger, G.; Guigliarelli, B.; Caldeira, J.; Moura, J.; Bertrand, P. (Biochemistry, 2005)
The aldehyde oxidoreductase from Desulfovibrio gigas belongs to the family of molybdenum hydroxylases. Besides a molybdenum cofactor which constitutes their active site, these enzymes contain two [2Fe-2S](2+,1+) clusters which are believed to transfer the electrons provided by the substrate to an acceptor which is either a FAD group or an electron-transferring protein. When the three metal centers of D. gigas AOR are simultaneously paramagnetic, splittings due to intercenter spin-spin interactions are visible when the EPR spectra are recorded at low temperatures. By studying quantitatively these interactions with a model based on the X-ray crystal structure, which takes into consideration the interactions between the magnetic moments carried by all the metal sites of the system, it is possible to determine the location of the reducible sites of the [2Fe-2S] clusters. When combined with the electron-transfer pathways proposed on the basis of the X-ray crystal structure, the results provide a detailed description of the electron-transfer system of D. gigas AOR.
0006-2960 (Print)0006-2960 (Linking)Journal Article
Keywords: Aldehyde Oxidoreductases/*chemistry/*metabolism; Animals; Binding Sites; Computer Simulation; Desulfovibrio gigas/*enzymology; Electron Spin Resonance Spectroscopy; Flavin-Adenine Dinucleotide/metabolism; Iron-Sulfur Proteins/*chemistry/*metabolism; Milk/enzymology; Oxidation-Reduction; Xanthine Oxidase/chemistry/metabolism

Synechocystis ferredoxin/ferredoxin-NADP(+)-reductase/NADP+ complex: Structural model obtained by NMR-restrained docking - Palma, P. N.; Lagoutte, B.; Krippahl, L.; Moura, J. J.; Guerlesquin, F. (FEBS Lett, 2005)
Ferredoxin (Fd) and ferredoxin-NADP(+)-reductase (FNR) are two terminal physiological partners of the photosynthetic electron transport chain. Based on a nuclear magnetic resonance (NMR)-restrained-docking approach, two alternative structural models of the Fd-FNR complex in the presence of NADP+ are proposed. The protein docking simulations were performed with the software BiGGER. NMR titration revealed a 1:1 stoichiometry for the complex and allowed the mapping of the interacting residues at the surface of Fd. The NMR chemical shifts were encoded into distance constraints and used with theoretically calculated electronic coupling between the redox cofactors to propose experimentally validated docked complexes.
0014-5793 (Print)0014-5793 (Linking)Journal ArticleResearch Support, Non-U.S. Gov't
Keywords: *Protein Conformation; Amino Acid Sequence; Bacterial Proteins/*chemistry/genetics; Ferredoxin-NADP Reductase/*chemistry/genetics; Ferredoxins/*chemistry/genetics; Macromolecular Substances; Models, Molecular; Molecular Sequence Data; NADP/*chemistry; Nuclear Magnetic Resonance, Biomolecular; Sequence Alignment; Synechocystis/*enzymology

tangled web: assessing overlaps between energy and environmental policy instruments in place along electricity systems - Simões, Sofia; Júlia Seixas; Huppes, Gjalt (ECEEE - European Council for an Energy Efficient Economy 2005 Summer Study, 2005)

Spectroscopy and coordination chemistry bisnaphthalene-bisphenanthroline ligand of a new displaying a sensing ability for metal cations - Pina, J; de Melo, JS; Pina, F; Lodeiro, C.; J. C. Lima; A. J. Parola; Soriano, C; Clares, MP; Albelda, MT; Aucejo, R; Garcia-Espana, E (Inorganic Chemistry, 2005)
A new fluorescent macrocyclic structure (0) bearing two naphthalene units at both ends of a cyclic polyaminic chain containing two phenanthroline units was investigated with potentiometric and fluorescence (steady-state and time-resolved) techniques. The fluorescence emission spectra show the simultaneous presence of three bands: a short wavelength emission band (naphthalene monomer), a middle emission band (phenanthroline emission), and a long-wavelength band. All three bands were found to be dependent on the protonation state of the macrocyclic unit (including the polyaminic and phenanthroline structures). The existence of the long-wavelength emission band is discussed and is shown to imply that a bending movement involving the two phenanthroline units leads to excimer formation. This is determined by comparison with the excimer emission formed by intermolecular association of 1,10-phenanthroline. With ligand L1, excimer formation occurs only at pH values above 4. At very acidic pH values, the protonation of the polyamine bridges is extensive leading to a rigidity of the system that precludes the bending movement. The interaction with metal cations Zn(II) and Cu(II) was also investigated. Excimer formation is, in these situations, increased with Zn(II) and decreased with Cu(II). The long-emission band is shown to present a different wavelength maximum, depending on the metal, which can be considered as a characteristic to validate the use of ligand L1 as a sensor for a given metal.
ISI Document Delivery No.: 974RSTimes Cited: 36 Cited Reference Count: 31 Pina, J de Melo, JS Pina, F Lodeiro, C Lima, JC Parola, AJ Soriano, C Clares, MP Albelda, MT Aucejo, R Garcia-Espana, E Seixas de Melo, Sergio/A-5388-2008; Pina, Fernando/C-8161-2011; Albelda, M. Teresa/J-5929-2012; Lodeiro, Carlos/B-4793-2013; Parola, A. Jorge/F-4048-2010; REQUIMTE, AL/H-9106-2013; Pina, Joao /H-9948-2013; Lima, Joao/F-3658-2010 Seixas de Melo, Sergio/0000-0001-9708-5079; Lodeiro, Carlos/0000-0001-5582-5446; Parola, A. Jorge/0000-0002-1333-9076; Lima, Joao/0000-0003-0528-1967 Amer chemical soc Washington

Water/humidity and ammonia sensor, based on a polymer hydrogel matrix containing a fluorescent flavylium compound - Galindo, F; J. C. Lima; Luis, SV; Melo, MJ; A. J. Parola; Pina, F (Journal of Materials Chemistry, 2005)
Flavylium compounds can conveniently be encapsulated in water permeable cross-linked poly(2-hydroxyethyl methacrylate) ( PHEMA) polymer hydrogel matrices. The polymer is also permeable to gases, for example ammonia and hydrogen chloride. The ability of the polymer to concentrate water from the surrounding atmosphere was demonstrated. The absorption and emission spectra of the encapsulated flavylium compounds are very dependent on the pH, and by consequence ammonia ( or hydrogen chloride) can be easily detected. The intensity of the fluorescence emission of the flavylium cation (AH+ species obtained in acidic media) is very dependent on the water content due to the efficient excited state proton transfer involving the AH(+)* excited state and water. The combination of flavylium emission sensitivity to water and ability of the polymer to concentrate water from the surrounding atmosphere, confers this material potential utility as a humidity sensor with high sensitivity.
ISI Document Delivery No.: 944MATimes Cited: 19 Cited Reference Count: 79 Galindo, F Lima, JC Luis, SV Melo, MJ Parola, AJ Pina, F Melo, Maria Joao/C-8594-2011; Pina, Fernando/C-8161-2011; Galindo, Francisco/H-8836-2012; Parola, A. Jorge/F-4048-2010; REQUIMTE, AL/H-9106-2013; Lima, Joao/F-3658-2010 Parola, A. Jorge/0000-0002-1333-9076; Lima, Joao/0000-0003-0528-1967 Royal soc chemistry Cambridge

Diagnosis of parametric faults based on identification and statistical methods - BRITO PALMA, L.; Coito, F. V.; NEVES DA SILVA, R. (Decision and Control, 2005 and 2005 European Control Conference. CDC-ECC’05. 44th IEEE Conference on. :3838–3843.: IEEE, 2005)
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Processamento Digital de Sinais - Ortigueira, M. (Fundação Calouste Gulbenkian, 2005)
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Adaptive Optimization with Constraints: Convergence and oscillatory behaviour - Coito, F.; Lemos, J. (Pattern Recognition and Image Analysis, 2005)
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Analysis of New Quasi-Orthogonal BCH-Derived Sequences for CDMA Applications - Ricardo, CN; Gerald, JA; Ortigueira, M. (XX Conference on Design of Circuits and Integrated Systems (DCIS'05), 2005)
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Binding of ligands originates small perturbations on the microscopic thermodynamic properties of a multicentre redox protein - Salgueiro, C.A.; Leonor Morgado; Fonseca, Bruno; Lamosa, Pedro; Catarino, Teresa; Turner, David L.; Ricardo O. Louro (FEBS Journal, 2005)
NMR and visible spectroscopy coupled to redox measurements were used to determine the equilibrium thermodynamic properties of the four haems in cytochrome c3 under conditions in which the protein was bound to ligands, the small anion phosphate and the protein rubredoxin with the iron in the active site replaced by zinc. Comparison of these results with data for the isolated cytochrome shows that binding of ligands causes only small changes in the reduction potentials of the haems and their pairwise interactions, and also that the redox-sensitive acid–base centre responsible for the redox–Bohr effect is essentially unaffected. Although neither of the ligands tested is a physiological partner of cytochrome c3, the small changes observed for the thermodynamic properties of cytochrome c3 bound to these ligands vs. the unbound state, indicate that the thermodynamic properties measured for the isolated protein are relevant for a physiological interpretation of the role of this cytochrome in the bioenergetic metabolism of Desulfovibrio.

Combined approach to fault diagnosis based on principal components and influence matrix - Palma, L. B.; Coito, F. V.; da Silva, R.N. (Intelligent Signal Processing, 2005 IEEE International Workshop on. :171–176.: IEEE, 2005)
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ECG Wave Detection and Delineation with Wavelets - Pinto, I; Alves, L.B.; Ortigueira, M.D.; A.G. B (Computational Intelligence in Medicine and Healthcare Conference. : Biopattern, 2005)
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Elucidation of the Functional Redox Behavior of Fumarate Reductase from Shewanella frigidimarina by NMR - Pessanha, M.; Rothery, E.L.; Louro, R.O.; Turner, D.L.; Miles, C.S.; Reid, G.A.; Chapman, S. K.; Xavier, A. V.; Salgueiro, C.A. (Annals Magnetic Resonance, 2005)
NMR spectroscopy has been applied with great success to study electron transfer proteins with multiple redox centers. This study aimed to elucidate the redox behavior the enzyme fumarate reductase from Shewanella frigidimarina and particularly to reveal the electron transfer mechanism from the N-terminal domain to the active center. We developed a new strategy encompassing the acquisition of 1H-EXSY bidimensional spectra for observation of chemical exchange connectivities in partially oxidized samples of fcc3, estimation of the paramagnetic chemical shifts expected for the heme substituents and their comparison with NMR spectra obtained in the fully oxidized protein. This study allowed obtaining the order of oxidation of the different groups (II-I-III, IV) and gave insights of the functional mechanisms that allow fcc3 to efficiently transfer electrons from the N-terminal domain to the active center.

Prediction of Signal Peptides and Signal Anchors of Cytocrome c Nitrite Reductase from Desulfovibrio desulfuricans ATCC 27774 Using Bioinformatic Tools - L.L. Gonçalves; Almeida, M. G.; Lampreia, J.; Moura, J. J. G.; Moura, I. (Essays in Bioinformatics, 2005)
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Process fault diagnosis approach based on neural observers - Palma, L. B.; Coito, F. V.; da Silva, R.N. (Emerging Technologies and Factory Automation, 2005. ETFA 2005. 10th IEEE Conference on. 1:4–pp.: IEEE, 2005)
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Requirements of peptidoglycan structure allowing detection by the Drosophila Toll pathway - S. R. Filipe; A. Tomasz; P. Ligoxygakis (EMBO Reports, 2005)

SMCRVI-a Labview/Matlab based tool for remote monitoring and control - Coito, F.; Almeida, P.; Palma, L. B. (Emerging Technologies and Factory Automation, 2005. ETFA 2005. 10th IEEE Conference on. 2:6–pp.: IEEE, 2005)
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Stochastic Extremum Seeking in the Presence of Constraints - Coito, F.; Lemos, J. M.; Alves, SS (World Congress. 16:266–266., Number 1, 2005)
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Adaptive Optimization with Constraints: Convergence and oscillatory behaviour - Coito, F.; Lemos, J. (Pattern Recognition and Image Analysis, 2005)
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Analysis of New Quasi-Orthogonal BCH-Derived Sequences for CDMA Applications - Ricardo, CN; Gerald, JA; Manuel Ortigueira (XX Conference on Design of Circuits and Integrated Systems (DCIS'05), 2005)
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Bio-inspired multistate networks responsive to light, pH and thermal inputs - An example of a multistate system operating through different algorithms - Giestas, L; Folgosa, F.; J. C. Lima; A. J. Parola; Pina, F (European Journal of Organic Chemistry, 2005)
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Catalytic olefin epoxidation with cyclopentadienyl-molybdenum complexes in room temperature ionic liquids - Kuhn, F. E.; Zhao, J.; Abrantes, M.; Sun, W.; C. A. M. Afonso; Branco, L. C.; Goncalves, I. S.; Pillinger, M.; Romao, C. C. (Tetrahedron Letters, 2005)
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Times Cited: 51 Kuhn, Fritz/A-3113-2010; Romao, Carlos /D-1162-2010; Abrantes, Marta/C-5140-2009; Branco, Luis/C-6426-2013; Pillinger, Martyn/H-2639-2013; Goncalves, Isabel/H-3742-2013; REQUIMTE, PHOTO/M-4229-2013; Mateus Afonso, Carlos Alberto/M-7833-2013; REQUIMTE, LAQV/N-9835-2013; iMed.ULisboa, iMed.ULisboa/C-6292-2014; iMed.ULisboa, BioOrgChem /B-4209-2014 Romao, Carlos /0000-0001-5061-3743; Branco, Luis/0000-0003-2520-1151; Pillinger, Martyn/0000-0002-6243-7692; Goncalves, Isabel/0000-0002-2836-7715; Mateus Afonso, Carlos Alberto/0000-0002-7284-5948; 53

Charge-transfer complexation as a general phenomenon in the copigmentation of anthocyanins - da Silva, PF; J. C. Lima; Freitas, AA; Shimizu, K; Macanita, AL; Quina, FH (Journal of Physical Chemistry a, 2005)
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Clean osmium-catalyzed asymmetric dihydroxylation of olefins in ionic liquids and supercritical CO2 product recovery - Branco, L. C.; Serbanovic, A.; da Ponte, M. N.; C. A. M. Afonso (Chemical Communications, 2005)
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Times Cited: 29 da Ponte, Manuel/B-3620-2010; Branco, Luis/C-6426-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, CENG/M-4555-2013; Mateus Afonso, Carlos Alberto/M-7833-2013; REQUIMTE, LAQV/N-9835-2013; iMed.ULisboa, iMed.ULisboa/C-6292-2014; iMed.ULisboa, BioOrgChem /B-4209-2014 da Ponte, Manuel/0000-0003-4499-4521; Branco, Luis/0000-0003-2520-1151; Mateus Afonso, Carlos Alberto/0000-0002-7284-5948; 29

Combined approach to fault diagnosis based on principal components and influence matrix - Palma, L. B.; Coito, F. V.; da Silva, R.N. (Intelligent Signal Processing, 2005 IEEE International Workshop on, 2005)
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Deuterium NMR investigation of the biaxial nematic phase in an organosiloxane tetrapode - J. L. Figueirinhas; C. Cruz; Filip, D.; Feio, G.; Ribeiro, A. C.; Frere, Y.; Meyer, T.; Mehl, G. H. (Phys Rev Lett, 2005)
Deuterium NMR is used to examine the molecular order exhibited by an organosiloxane tetrapode giving the first experimental evidence, using a bulk sample, for the existence of a biaxial nematic phase in this type of compounds. The temperature dependence of the averaged quadrupolar coupling constant and asymmetry parameter was determined in the compound's nematic phase. Two distinct regimes could be identified, one with a vanishing asymmetry parameter corresponding to a uniaxial nematic phase and another with a significant temperature dependent asymmetry parameter, corresponding to a biaxial nematic phase. The high values obtained for the asymmetry parameter at the lower end of the nematic range are well above experimental error and constitute a definite proof of the biaxial nature of the nematic phase exhibited by the studied compound for those temperatures.
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Diagnosis of parametric faults based on identification and statistical methods - BRITO PALMA, L.; Coito, F. V.; NEVES DA SILVA, R. (Decision and Control, 2005 and 2005 European Control Conference. CDC-ECC’05. 44th IEEE Conference on, 2005)
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The discrimination of tyrosine residues in ribonuclease A by picosecond time-resolved fluorescence spectroscopy - Noronha, MC; J. C. Lima; Santos, H.; Macanita, AL (Febs Journal, 2005)
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ECG Wave Detection and Delineation with Wavelets - Pinto, I; Alves, L.B.; Ortigueira, M.D.; Batista A.G. (Computational Intelligence in Medicine and Healthcare Conference, 2005)
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Highly luminescent tris(beta-diketonate)europium(III) complexes immobilized in a functionalized mesoporous silica - Gago, S.; Fernandes, J. A.; Rainho, J. P.; Ferreira, R. A. S.; Pillinger, M.; Valente, A. A.; Santos, T. M.; Carlos, L. D.; Ribeiro-Claro, P. J. A.; Goncalves, I. S. (Chemistry of Materials, 2005)
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Times Cited: 111 Fernandes, Jose/B-8073-2008; Ribeiro-Claro, Paulo/C-6705-2008; Carlos, Luis/B-2869-2009; Ferreira, Rute/F-4562-2011; Universidade Aveiro, Departamento Fisica/E-4128-2013; Pillinger, Martyn/H-2639-2013; Goncalves, Isabel/H-3742-2013; Valente, Anabela/H-5922-2013; Santos, Teresa/K-7178-2013; REQUIMTE, PHOTO/M-4229-2013; Gago, Sandra/H-5413-2012; REQUIMTE, LAQV/N-9835-2013 Ribeiro-Claro, Paulo/0000-0001-5171-2153; Carlos, Luis/0000-0003-4747-6535; Pillinger, Martyn/0000-0002-6243-7692; Goncalves, Isabel/0000-0002-2836-7715; Gago, Sandra/0000-0003-0221-8508; 114

Immobilization of lanthanide ions in a pillared layered double hydroxide - Gago, S.; Pillinger, M.; Ferreira, R. A. S.; Carlos, L. D.; Santos, T. M.; Goncalves, I. S. (Chemistry of Materials, 2005)
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Times Cited: 51 Carlos, Luis/B-2869-2009; Ferreira, Rute/F-4562-2011; Universidade Aveiro, Departamento Fisica/E-4128-2013; Pillinger, Martyn/H-2639-2013; REQUIMTE, LAQV/N-9835-2013; Goncalves, Isabel/H-3742-2013; Santos, Teresa/K-7178-2013; Gago, Sandra/H-5413-2012; REQUIMTE, PHOTO/M-4229-2013 Carlos, Luis/0000-0003-4747-6535; Pillinger, Martyn/0000-0002-6243-7692; Goncalves, Isabel/0000-0002-2836-7715; Gago, Sandra/0000-0003-0221-8508; 52

Insights into the structural determinants of cohesin dockerin specificity revealed by the crystal structure of the type II cohesin from Clostridium thermocellum SdbA - Carvalho, A. L.; Pires, V. M. R.; Gloster, T. M.; Turkenburg, J. P.; Prates, J. A. M.; Ferreira, L. M. A.; Romao, M. J.; Davies, G. J.; Fontes, Cmga; Gilbert, H. J. (Journal of Molecular Biology, 2005)
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Times Cited: 25 Davies, Gideon/A-9042-2011; Carvalho, Ana Luisa/G-5638-2011; Romao, Maria/A-4115-2013; REQUIMTE, AL/H-9106-2013; Pires, Virginia/J-4799-2013; Prates, Jose/K-9934-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013 Davies, Gideon/0000-0002-7343-776X; Carvalho, Ana Luisa/0000-0002-3824-0240; Romao, Maria/0000-0002-3004-0543; Pires, Virginia/0000-0003-1307-3797; Prates, Jose/0000-0003-1032-5987; 25

New PN Even Balanced Sequences for spread spectrum systems - J. A. Inácio; Gerald, JA; Manuel Ortigueira (EURASIP Journal on Wireless Communications and Networking, 2005)
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A new Zn-II tweezer pyridine-naphthalene system - An off-on-off system working in a biological pH window - Aucejo, R; Alarcon, J.; Garcia-Espana, E; Llinares, J. M.; Marchin, K. L.; Soriano, C; Lodeiro, C.; Bernardo, M. A.; Pina, F; Pina, J; de Melo, JS (European Journal of Inorganic Chemistry, 2005)
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Times Cited: 18 Pina, Fernando/C-8161-2011; Seixas de Melo, Sergio/A-5388-2008; Lodeiro, Carlos/B-4793-2013; REQUIMTE, AL/H-9106-2013; Pina, Joao /H-9948-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, C4O/M-5599-2013; REQUIMTE, UCIBIO/N-9846-2013; REQUIMTE, LAQV/N-9835-2013 Pina, Fernando/0000-0001-8529-6848; Seixas de Melo, Sergio/0000-0001-9708-5079; Lodeiro, Carlos/0000-0001-5582-5446; 18

On the purification and preliminary crystallographic analysis of isoquinoline 1-oxidoreductase from Brevundimonas diminuta 7 - Boer, D. R.; Muller, A.; Fetzner, S.; Lowe, D. J.; Romao, M. J. (Acta Crystallographica Section F-Structural Biology and Crystallization Communications, 2005)
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Times Cited: 3 Romao, Maria/A-4115-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013 Romao, Maria/0000-0002-3004-0543; 1 3

Opportunities for membrane separation processes using ionic liquids - Schafer, T.; Branco, L. C.; Fortunato, R.; Izak, P.; Rodrigues, C. M.; C. A. M. Afonso; Crespo, J. G. (Ionic Liquids Iiib: Fundamentals, Progress, Challenges and Opportunities: Transformations and Processes, 2005)
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Times Cited: 3 Branco, Luis/C-6426-2013; Crespo, Joao/D-8719-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, CENG/M-4555-2013; Mateus Afonso, Carlos Alberto/M-7833-2013; REQUIMTE, LAQV/N-9835-2013; iMed.ULisboa, iMed.ULisboa/C-6292-2014; iMed.ULisboa, BioOrgChem /B-4209-2014 Branco, Luis/0000-0003-2520-1151; Mateus Afonso, Carlos Alberto/0000-0002-7284-5948; Symposium on Ionic Liquids - Fundamentals, Progress, Challenges and Opportunities held at the 226th American-Chemical-Society National Meeting Sep 07-11, 2003 New York, NY Amer Chem Soc

Osmium catalyzed asymmetric dihydroxylation of methyl trans-cinnamate in ionic liquids, followed by supercritical CO2 product recovery - Serbanovic, A.; Branco, L. C.; da Ponte, M. N.; C. A. M. Afonso (Journal of Organometallic Chemistry, 2005)
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Times Cited: 30 da Ponte, Manuel/B-3620-2010; Branco, Luis/C-6426-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, CENG/M-4555-2013; Mateus Afonso, Carlos Alberto/M-7833-2013; REQUIMTE, LAQV/N-9835-2013; iMed.ULisboa, iMed.ULisboa/C-6292-2014; iMed.ULisboa, BioOrgChem /B-4209-2014 da Ponte, Manuel/0000-0003-4499-4521; Branco, Luis/0000-0003-2520-1151; Mateus Afonso, Carlos Alberto/0000-0002-7284-5948; 32

Process fault diagnosis approach based on neural observers - Palma, L. B.; Coito, F. V.; da Silva, R.N. (Emerging Technologies and Factory Automation, 2005. ETFA 2005. 10th IEEE Conference on, 2005)
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Protein stabilization by osmolytes from hyperthermophiles: effect of mannosylglycerate on the thermal unfolding of sthaplylicoccal nuclease studied by picosecond - Faria, TQ; J. C. Lima; Bastos, M; Macanita, AL; Santos, H. (Febs Journal, 2005)
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Purification and preliminary characterization of tetraheme cytochrome c3 and adenylylsulfate reductase from the peptidolytic sulfate-reducing bacterium Desulfovibrio aminophilus DSM 12254 - Lopez-Cortes, A.; Bursakov, S.; Figueiredo, A.; Thapper, A. E.; Todorovic, S.; Moura, J. J.; Ollivier, B.; Moura, I.; Fauque, G. (Bioinorg Chem Appl, 2005)
Two proteins were purified and preliminarily characterized from the soluble extract of cells (310 g, wet weight) of the aminolytic and peptidolytic sulfate-reducing bacterium Desulfovibrio (D.) aminophilus DSM 12254. The iron-sulfur flavoenzyme adenylylsulfate (adenosine 5'-phosphosulfate, APS) reductase, a key enzyme in the microbial dissimilatory sulfate reduction, has been purified in three chromatographic steps (DEAE-Biogel A, Source 15, and Superdex 200 columns). It contains two different subunits with molecular masses of 75 and 18 kDa. The fraction after the last purification step had a purity index (A(278nm) / A(388nm)) of 5.34, which was used for further EPR spectroscopic studies. The D. aminophilus APS reductase is very similar to the homologous enzymes isolated from D. gigas and D. desulfuricans ATCC 27774. A tetraheme cytochrome c(3) (His-heme iron-His) has been purified in three chromatographic steps (DEAE- Biogel A, Source 15, and Biogel-HTP columns) and preliminarily characterized. It has a purity index ([A(553nm) - A(570nm)](red) / A(280nm)) of 2.9 and a molecular mass of around 15 kDa, and its spectroscopic characterization (NMR and EPR) has been carried out. This hemoprotein presents similarities with the tetraheme cytochrome c(3) from Desulfomicrobium (Des.) norvegicum (NMR spectra, and N-terminal amino acid sequence).
1565-3633 (Print)Journal Article

Robust fault diagnosis approach using analytical and knowledge based techniques applied to a water tank system - BRITO PALMA, L.; VIEIRA COITO, F.; NEVES DA SILVA, R. (CRL, 2005)
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Self-assembly of a hydrophobically modified naphthalene-labeled poly(acrylic acid) polyelectrolyte in water: Organic solvent mixtures followed by steady-state and time-resolved fluorescence - Costa, T; Miguel, MG; Lindman, B; Schillen, K; J. C. Lima; de Melo, JS (Journal of Physical Chemistry B, 2005)
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SMCRVI-a Labview/Matlab based tool for remote monitoring and control - Coito, F.; Almeida, P.; Palma, L. B. (Emerging Technologies and Factory Automation, 2005. ETFA 2005. 10th IEEE Conference on, 2005)
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Stochastic Extremum Seeking in the Presence of Constraints - Coito, F.; Lemos, J. M.; Alves, SS (World Congress, 2005)
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Superoxide reductase from the syphilis spirochete Treponema pallidum: crystallization and structure determination using soft X-rays - Santos-Silva, T.; Trincao, J.; Carvalho, A. L.; Bonifacio, C.; Auchere, F.; Moura, I.; Moura, J. J. G.; Romao, M. J. (Acta Crystallographica Section F-Structural Biology and Crystallization Communications, 2005)
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Times Cited: 4 Carvalho, Ana Luisa/G-5638-2011; Romao, Maria/A-4115-2013; Moura, Jose/D-6426-2013; REQUIMTE, AL/H-9106-2013; Santos-Silva, Teresa/D-2050-2013; REQUIMTE, SMB/M-5694-2013; Moura, Isabel/D-6339-2013; REQUIMTE, UCIBIO/N-9846-2013 Carvalho, Ana Luisa/0000-0002-3824-0240; Romao, Maria/0000-0002-3004-0543; Moura, Isabel/0000-0003-0971-4977; 11 4

Synthesis, characterization and catalytic studies of bis(chloro)dioxomolybdenum(VI)-chiral diimine complexes - Gago, S.; Rodriguez-Borges, J. E.; Teixeira, C.; Santos, A. M.; Zhao, J.; Pillinger, M.; Nunes, C. D.; Petrovski, Z.; Santos, T. M.; Kuhn, F. E.; Romao, C. C.; Goncalves, I. S. (Journal of Molecular Catalysis a-Chemical, 2005)
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Times Cited: 36 Kuhn, Fritz/A-3113-2010; Rodriguez-Borges, J. E./F-2430-2011; Nunes, Carla/D-7299-2012; Romao, Carlos /D-1162-2010; Pillinger, Martyn/H-2639-2013; Goncalves, Isabel/H-3742-2013; Santos, Teresa/K-7178-2013; REQUIMTE, PHOTO/M-4229-2013; Teixeira, Catia/B-5680-2011; Gago, Sandra/H-5413-2012; REQUIMTE, LAQV/N-9835-2013 Rodriguez-Borges, J. E./0000-0002-9104-1670; Romao, Carlos /0000-0001-5061-3743; Pillinger, Martyn/0000-0002-6243-7692; Goncalves, Isabel/0000-0002-2836-7715; Teixeira, Catia/0000-0001-9506-3781; Gago, Sandra/0000-0003-0221-8508; 37