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2006
Krings, B-J.  2006.  {The sociological perspective on the knowledge-based society: assumptions, facts and visions}, November. Enterprise and Work Innovation Studies. 2:9-19., Number 2 AbstractWebsite

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

Carmo, H, Brulport M, Hermes M, Oesch F, Silva R, Ferreira LM, Branco PS, de Boer D, Remiao F, Carvalho F, Schoen MR, Krebsfaenger N, Doehmer J, de Bastos ML, Hengstler JG.  2006.  Influence of CYP2D6 polymorphism on 3,4-methylenedioxymethamphetamine ('ecstasy') cytotoxicity, NOV. PHARMACOGENETICS AND GENOMICS. 16:789-799., Number 11 Abstract
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Payne, BT, van Knippenberg IC, Bell H, Filipe SR, Sherratt DJ, McGlynn P.  2006.  Replication fork blockage by transcription factor—DNA complexes in Escherichia coli. Nucleic Acids Res. 2006:5194-5202.
Gago, S, Fernandes JA, Abrantes M, Kuhn FE, Ribeiro-Claro P, Pillinger M, Santos TM, Goncalves IS.  2006.  Immobilisation of methyltrioxorhenium on functionalised MCM-41. Microporous and Mesoporous Materials. 89:284-290., Number 1-3 AbstractWebsite
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Branco, LC, Gois PMP, Lourenco NMT, Kurteva VB, Afonso CAM.  2006.  Simple transformation of crystalline chiral natural anions to liquid medium and their use to induce chirality. Chemical Communications. :2371-2372., Number 22 AbstractWebsite
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Fiedeler, U, Krings B.  2006.  {Naturalness and Neuronal Implants – Changes in the perception of human beings}. , Number 8501: University Library of Munich, Germany Abstract

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.

Krings, B.  2006.  {The sociological perspective on the knowledge-based society: assumptions, facts and visions}. , Number 7110: University Library of Munich, Germany Abstract

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

2005
Krings, B.  2005.  {Hen or Egg? The relationship between IC-technologies and social exclusion}, Jun , Number 9568: University Library of Munich, Germany Abstract

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.

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, Pereira MM, Nicolaou KN, Van Meir EG.  2005.  Identification of a novel small-molecule inhibitor of the hypoxia-inducible factor 1 pathway, JAN 15. CANCER RESEARCH. 65:605-612., Number 2 Abstract
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Aureliano, M, Tiago T, Gandara RM, Sousa A, Moderno A, Kaliva M, Salifoglou A, Duarte RO, Moura JJ.  2005.  Interactions of vanadium(V)-citrate complexes with the sarcoplasmic reticulum calcium pump, Dec. J Inorg Biochem. 99:2355-61., Number 12 AbstractWebsite

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.

Palma, PN, Lagoutte B, Krippahl L, Moura JJ, Guerlesquin F.  2005.  Synechocystis ferredoxin/ferredoxin-NADP(+)-reductase/NADP+ complex: Structural model obtained by NMR-restrained docking, Aug 29. FEBS Lett. 579:4585-90., Number 21 AbstractWebsite

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.

Kuhn, FE, Zhao J, Abrantes M, Sun W, Afonso CAM, Branco LC, Goncalves IS, Pillinger M, Romao CC.  2005.  Catalytic olefin epoxidation with cyclopentadienyl-molybdenum complexes in room temperature ionic liquids. Tetrahedron Letters. 46:47-52., Number 1 AbstractWebsite
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Gago, S, Rodriguez-Borges JE, Teixeira C, Santos AM, Zhao J, Pillinger M, Nunes CD, Petrovski Z, Santos TM, Kuhn FE, Romao CC, Goncalves IS.  2005.  Synthesis, characterization and catalytic studies of bis(chloro)dioxomolybdenum(VI)-chiral diimine complexes. Journal of Molecular Catalysis a-Chemical. 236:1-6., Number 1-2 AbstractWebsite
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2004
Gil, AM, Duarte I, Cabrita E, Goodfellow BJ, Spraul M, Kerssebaum R.  2004.  Exploratory applications of diffusion ordered spectroscopy to liquid foods: an aid towards spectral assignment, MAR 24 2004. Analytica Chimica Acta. 506:215-223., Number 2 Abstract

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Gago, S, Zhang YM, Santos AM, Kohler K, Kuhn FE, Fernandes JA, Pillinger M, Valente AA, Santos TM, Ribeiro-Claro PJA, Goncalves IS.  2004.  Synthesis and characterization of a manganese(II) acetonitrile complex supported on functionalized MCM-41. Microporous and Mesoporous Materials. 76:131-136., Number 1-3 AbstractWebsite
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Helberger, N, Kerényi K, Krings B, Lambers R, Orwat C, Riehm U, van Gompel S, Dufft N.  2004.  {Digital Rights Management and Consumer Acceptability: A Multi-Disciplinary Discussion of Consumer Concerns and Expectations}. , Number 6641: University Library of Munich, Germany Abstract

The INDICARE project – the Informed Dialogue about Consumer Acceptability of DRM Solutions in Europe – has been set up to raise awareness about consumer and user issues of Digital Rights Management (DRM) solutions. One of the main goals of the INDICARE project is to contribute to the consensus-building among multiple players with heterogeneous interests in the digital environment. To promote this process and to contribute to the creation of a common level of understanding is the aim of the present report. It provides an overview of consumer concerns and expectations regarding DRMs, and discusses the findings from a social, legal, technical and business perspective. A general overview of the existing EC initiatives shows that questions of consumer acceptability of DRM have only recently begun to draw wider attention. A review of the relevant statements, studies and reports confirms that awareness of consumer concerns is still at a low level. Five major categories of concerns have been distinguished so far: (1) fair conditions of use and access to digital content, (2) privacy, (3) interoperability, (4) transparency and (5) various aspects of consumer friendliness. From the legal point of view, many of the identified issues go beyond the scope of copyright law, i.e. the field of law where DRM was traditionally discussed. Often they are a matter of general or sector-specific consumer protection law. Furthermore, it is still unclear to what extent technology and an appropriate design of technical solutions can provide an answer to some of the concerns of consumers. One goal of the technical chapter was exactly to highlight some of these technical possibilities. Finally, it is shown that consumer acceptability of DRM is important for the economic success of different business models based on DRM. Fair and responsive DRM design can be a profitable strategy, however DRM-free alternatives do exist too.

2003
Banci, L, Bertini I, Felli IC, Krippahl L, Kubicek K, Moura JJ, Rosato A.  2003.  A further investigation of the cytochrome b5-cytochrome c complex, Sep. J Biol Inorg Chem. 8:777-86., Number 7 AbstractWebsite

The interaction of reduced rabbit cytochrome b(5) with reduced yeast iso-1 cytochrome c has been studied through the analysis of (1)H-(15)N HSQC spectra, of (15)N longitudinal ( R(1)) and transverse ( R(2)) relaxation rates, and of the solvent exchange rates of protein backbone amides. For the first time, the adduct has been investigated also from the cytochrome c side. The analysis of the NMR data was integrated with docking calculations. The result is that cytochrome b(5) has two negative patches capable of interacting with a single positive surface area of cytochrome c. At low protein concentrations and in equimolar mixture, two different 1:1 adducts are formed. At high concentration and/or with excess cytochrome c, a 2:1 adduct is formed. All the species are in fast exchange on the scale of differences in chemical shift. By comparison with literature data, it appears that the structure of one 1:1 adduct changes with the origin or primary sequence of cytochrome b(5).

Pettigrew, GW, Pauleta SR, Goodhew CF, Cooper A, Nutley M, Jumel K, Harding SE, Costa C, Krippahl L, Moura I, Moura J.  2003.  Electron transfer complexes of cytochrome c peroxidase from Paracoccus denitrificans containing more than one cytochrome, Oct 21. Biochemistry. 42:11968-81., Number 41 AbstractWebsite

According to the model proposed in previous papers [Pettigrew, G. W., Prazeres, S., Costa, C., Palma, N., Krippahl, L., and Moura, J. J. (1999) The structure of an electron-transfer complex containing a cytochrome c and a peroxidase, J. Biol. Chem. 274, 11383-11389; Pettigrew, G. W., Goodhew, C. F., Cooper, A., Nutley, M., Jumel, K., and Harding, S. E. (2003) Electron transfer complexes of cytochrome c peroxidase from Paracoccus denitrificans, Biochemistry 42, 2046-2055], cytochrome c peroxidase of Paracoccus denitrificans can accommodate horse cytochrome c and Paracoccus cytochrome c(550) at different sites on its molecular surface. Here we use (1)H NMR spectroscopy, analytical ultracentrifugation, molecular docking simulation, and microcalorimetry to investigate whether these small cytochromes can be accommodated simultaneously in the formation of a ternary complex. The pattern of perturbation of heme methyl and methionine methyl resonances in binary and ternary solutions shows that a ternary complex can be formed, and this is confirmed by the increase in the sedimentation coefficient upon addition of horse cytochrome c to a solution in which cytochrome c(550) fully occupies its binding site on cytochrome c peroxidase. Docking experiments in which favored binary solutions of cytochrome c(550) bound to cytochrome c peroxidase act as targets for horse cytochrome c and the reciprocal experiments in which favored binary solutions of horse cytochrome c bound to cytochrome c peroxidase act as targets for cytochrome c(550) show that the enzyme can accommodate both cytochromes at the same time on adjacent sites. Microcalorimetric titrations are difficult to interpret but are consistent with a weakened binding of horse cytochrome c to a binary complex of cytochrome c peroxidase and cytochrome c(550) and binding of cytochrome c(550) to the cytochrome c peroxidase that is affected little by the presence of horse cytochrome c in the other site. The presence of a substantial capture surface for small cytochromes on the cytochrome c peroxidase has implications for rate enhancement mechanisms which ensure that the two electrons required for re-reduction of the enzyme after reaction with hydrogen peroxide are delivered efficiently.

Krippahl, L, Moura JJ, Palma PN.  2003.  Modeling protein complexes with BiGGER, Jul 1. Proteins. 52:19-23., Number 1 AbstractWebsite

This article describes the method and results of our participation in the Critical Assessment of PRediction of Interactions (CAPRI) experiment, using the protein docking program BiGGER (Bimolecular complex Generation with Global Evaluation and Ranking) (Palma et al., Proteins 2000;39:372-384). Of five target complexes (CAPRI targets 2, 4, 5, 6, and 7), only one was successfully predicted (target 6), but BiGGER generated reasonable models for targets 4, 5, and 7, which could have been identified if additional biochemical information had been available.

dos Santos, MMC, de Sousa PMP, Goncalves MLS, Krippahl L, Moura JJG, Lojou E, Bianco P.  2003.  Electrochemical studies on small electron transfer proteins using membrane electrodes, Jan 16. Journal of Electroanalytical Chemistry. 541:153-162. AbstractWebsite

Membrane electrodes (ME) were constructed using gold, glassy carbon and pyrolytic graphite supports and a dialysis membrane, and used to study the electrochemical behavior of small size electron transfer proteins: monohemic cytochrome c(522) from Pseudomonas nautica and cytochrome c(533) as well as rubredoxin from Desulfovibrio vulgaris. Different electrochemical techniques were used including cyclic voltammetry (CV), square wave voltammetry (SW) and differential pulse voltammetry (DP). A direct electrochemical response was obtained in all cases except with rubredoxin where a facilitator was added to the protein solution entrapped between the membrane and the electrode surface. Formal potentials and heterogeneous charge transfer rate constants were determined from the voltammetric data. The influence of the ionic strength and the pH of the medium on the electrochemical response at the ME were analyzed. The benefits from the use of the ME in protein electrochemistry and its role in modulating the redox behavior are analyzed. A critical comparison is presented with data obtained at non-MEs. Finally, the interactions that must be established between the proteins and the electrode surfaces are discussed, thereby modeling molecular interactions that occur in biological systems. (C) 2002 Elsevier Science B.V. All rights reserved.

Andrade, SL, Brondino CD, Kamenskaya EO, Levashov AV, Moura JJ.  2003.  Kinetic behavior of Desulfovibrio gigas aldehyde oxidoreductase encapsulated in reverse micelles, Aug 15. Biochem Biophys Res Commun. 308:73-8., Number 1 AbstractWebsite

We report the kinetic behavior of the enzyme aldehyde oxidoreductase (AOR) from the sulfate reducing bacterium Desulfovibrio gigas (Dg) encapsulated in reverse micelles of sodium bis-(2-ethylhexyl) sulfosuccinate in isooctane using benzaldehyde, octaldehyde, and decylaldehyde as substrates. Dg AOR is a 200-kDa homodimeric protein that catalyzes the conversion of aldehydes to carboxylic acids. Ultrasedimentation analysis of Dg AOR-containing micelles showed the presence of 100-kDa molecular weight species, confirming that the Dg AOR subunits can be dissociated. UV-visible spectra of encapsulated Dg AOR are indistinguishable from the enzyme spectrum in solution, suggesting that both protein fold and metal cofactor are kept intact upon encapsulation. The catalytic constant (k(cat)) profile as a function of the micelle size W(0) (W(0)=[H(2)O]/[AOT]) using benzaldehyde as substrate showed two bell-shaped activity peaks at W(0)=20 and 26. Furthermore, enzymatic activity for octaldehyde and decylaldehyde was detected only in reverse micelles. Like for the benzaldehyde kinetics, two peaks with both similar k(cat) values and W(0) positions were obtained. EPR studies using spin-labeled reverse micelles indicated that octaldehyde and benzaldehyde are intercalated in the micelle membrane. This suggests that, though Dg AOR is found in the cytoplasm of bacterial cells, the enzyme may catalyze the reaction of substrates incorporated into a cell membrane.

2002
Cabrita, EJ, Berger S, Brauer P, Karger J.  2002.  High-resolution DOSY NMR with spins in different chemical surroundings: Influence of particle exchange, JUL 2002. Journal of Magnetic Resonance. 157:124-131., Number 1 Abstract

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Kovács, I, Moniz A.  2002.  The Sociology of Work and the work of sociologists in Portugal, Apr. , Number 7891: University Library of Munich, Germany Abstract

A propose for this article is to present information on the emergence of the knowledge field of sociology of work and labor studies in Portugal. The period of 1974-1984 produced an interesting bibliography in the fields of social stratification, labor conflicts and social history. However, and since the mid-1980s, significant changes have emerged. There took place an increased theoretical diversity and also there was a major preoccupation with the development of a more professional teaching of the discipline. At this time, the first graduated specialists in Sociology appeared in the labor market since 1980, working in municipalities, industrial firms, public health institutions, schools, or even in research and development (R&D) units. The Portuguese association in this field (APSIOT) organized many scientific meetings, debates with unionists, managers and politicians, beside the regular publication of review “Organiza{\c c}ões e Trabalho” (Organization and Work) since 1989. It started the diffusion of a professional culture of sociologists who associate science and their occupation concerning themselves not only with scientific quality, but also with technical competence and social responsibility. At the same time, one could assist to the participation of sociologists in the social and organizational molding of new technologies in order to promote alternative production systems.

Kovács, I, Moniz A.  2002.  {The Sociology of Work and the work of sociologists in Portugal}, Apr. , Number 7891: University Library of Munich, Germany Abstract

A propose for this article is to present information on the emergence of the knowledge field of sociology of work and labor studies in Portugal. The period of 1974-1984 produced an interesting bibliography in the fields of social stratification, labor conflicts and social history. However, and since the mid-1980s, significant changes have emerged. There took place an increased theoretical diversity and also there was a major preoccupation with the development of a more professional teaching of the discipline. At this time, the first graduated specialists in Sociology appeared in the labor market since 1980, working in municipalities, industrial firms, public health institutions, schools, or even in research and development (R&D) units. The Portuguese association in this field (APSIOT) organized many scientific meetings, debates with unionists, managers and politicians, beside the regular publication of review “Organizações e Trabalho” (Organization and Work) since 1989. It started the diffusion of a professional culture of sociologists who associate science and their occupation concerning themselves not only with scientific quality, but also with technical competence and social responsibility. At the same time, one could assist to the participation of sociologists in the social and organizational molding of new technologies in order to promote alternative production systems.

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