Photoelectron spectroscopy of nitrogen containing molecules of biological and industrial interest

A thesis submitted for the degree of Ph. D. in Physics

Ligand K-edge X-ray absorption spectroscopy and DFT calculations on [Fe3S4]0,+ clusters: delocalization, redox, and effect of the protein environment

Ligand K-edge XAS of an [Fe3S4]0 model complex is reported. The pre-edge can be resolved into contributions from the í2Ssulfide, í3Ssulfide, and Sthiolate ligands. The average ligand-metal bond covalencies obtained from these pre-edges are further distributed between Fe3+ and Fe2.5+ components using DFT calculations. The bridging ligand covalency in the [Fe2S2]+ subsite of the [Fe3S4]0 cluster is found to be significantly lower than its value in a reduced [Fe2S2] cluster (38% vs 61%, respectively). This lowered bridging ligand covalency reduces the superexchange coupling parameter J relative to its value in a reduced [Fe2S2]+ site (-146 cm-1 vs -360 cm-1, respectively). This decrease in J, along with estimates of the double exchange parameter B and vibronic coupling parameter ì2/k-, leads to an S ) 2 delocalized ground state in the [Fe3S4]0 cluster. The S K-edge XAS of the protein ferredoxin II (Fd II) from the D. gigas active site shows a decrease in covalency compared to the model complex, in the same oxidation state, which correlates with the number of H-bonding interactions to specific sulfur ligands present in the active site. The changes in ligand-metal bond covalencies upon redox compared with DFT calculations indicate that the redox reaction involves a two-electron change (one-electron ionization plus a spin change of a second electron) with significant electronic relaxation. The presence of the redox inactive Fe3+ center is found to decrease the barrier of the redox process in the [Fe3S4] cluster due to its strong antiferromagnetic coupling with the redox active Fe2S2 subsite.

Study and characterization of the ZnPc:C60/MoOx interface in organic solar cells by means of photoelectron spectroscopy

Dissertation to obtain the academic degree of Master in materials engineering submitted to the Faculty of science and engineering of Universidade Nova de Lisboa

Broad-temperature range spectroscopy of the two-centre modular redox metalloprotein Desulfovibrio desulfuricans desulfoferrodoxin

Dalton Trans., 2003, 3328-3338

Spectroscopy studies on conservation issues in modern and contemporary paintings

Dissertation presented to the Faculty of Sciences and Technology of New University of Lisbon in fulfilment of the requirements for the Master’s degree in Conservation and Restoration Specialization in easel painting

Measurement of lead concentration in biological tissues by atomic spectroscopy techniques

Dissertation for the degree of Doctor of Philosophy in Physics

E.D.I.: electronic data interchange

O presente trabalho tem como tema a Troca Electrónica de Dados (Electronic Data Interchange – EDI) transferência de dados estruturados, respeitando mensagens normalizadas estabelecidas, computador a computador, por meios electrónicos. Trocas entre computadores refere-se a trocas entre aplicações informáticas: por exemplo o sistema de encomendas envia ordens ao sistema central de controlo da produção, o qual então fará o envio da respectiva factura. O EDI aberto faz a troca electrónica de dados entre parceiros autónomos que se associaram para fazerem trocas de dados estruturados que são destinados a serem processados por programas de aplicações.

Electronic books

Este documento de trabalho visa apresentar o conceito de electronic book e discutir questões relacionadas com este novo género de publicação e sua aceitação pelo mercado, as vantagens, alguns desafios e principais dificuldades enfrentadas pelos produtores. Com o desenvolvimento das novas tecnologias, emergem novas expectativas em relação às potencialidades do ambiente digital ao que se verifica no meio impresso: custos reduzidos, facilitando a replicação de cópias e a quase livre e imediata distribuição de cópias no mundo inteiro através da Internet.

Exploraty Multivariate Statistical Methods Applied to Pharmaceutical Industry CRM Data

Dissertação apresentada como requisito parcial para obtenção do grau de Mestre em Estatística e Gestão de Informação

Formation of a stable cyano-bridged dinuclear iron cluster following oxidation of the superoxide reductases from Treponema pallidum and Desulfovibrio vulgaris with K(3)Fe(CN)(6)

Inorg. Chem., 2003, 42 (4), pp 938–940 DOI: 10.1021/ic0262886

Digital Divide Across the European Union

Dissertação apresentada como requisito parcial para obtenção do grau de Mestre em Estatística e Gestão de Informação

The impact of online brand community on electronic word-of-mouth communications

A Work Project, presented as part of the requirements for the Award of a Masters Degree in Management from the NOVA – School of Business and Economics

Development of ion jelly thin films for electrochemical devices

Dissertação para obtenção do Grau de Doutor em Química Sustentável

Molecular characterization of the fibrinogen-erythrocyte interaction and its influence on cardiovascular pathologies by AFM-based force spectroscopy

Dissertação para obtenção do Grau de Mestre em Engenharia Biomédica

Digital Divide Across the European Union

Dissertação apresentada como requisito parcial para obtenção do grau de Mestre em Estatística e Gestão de Informação