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Ionization energies of benzyl azide (BA), C6H5CH2N3, its methyl derivatives, 2-, 3- and 4-methyl benzyl azide and (1-azidoethyl)benzene (2-, 3- and 4-MBA and 1-AEB), (CH3)C6H4CH2 N3, have been calculated with several basis sets, with M¯ller-Plesset and Hartree-Fock methods. The data are compared to the ionizations energies obtained from HeI photoelectron spectroscopy (UVPES) experiments, in order to support the correct assignment of the bands. The nature and character of the molecular orbitals are also discussed.

Ionization energies of benzyl azide (BA), C6H5CH2N3, its methyl derivatives, 2-, 3- and 4-methyl benzyl azide and (1-azidoethyl)benzene (2-, 3- and 4-MBA and 1-AEB), (CH3)C6H4CH2 N3, have been calculated with several basis sets, with M¯ller-Plesset and Hartree-Fock methods. The data are compared to the ionizations energies obtained from HeI photoelectron spectroscopy (UVPES) experiments, in order to support the correct assignment of the bands. The nature and character of the molecular orbitals are also discussed.

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Harold Widom proved in 1966 that the spectrum of a Toeplitz operator \(T(a)\) acting on the Hardy space \(H^p(\mathbb{T})\) over the unit circle \(\mathbb{T}\) is a connected subset of the complex plane for every bounded measurable symbol \(a\) and \(1 < p < \infty\). In 1972, Ronald Douglas established the connectedness of the essential spectrum of \(T(a)\) on \(H^2(\mathbb{T})\). We show that, as was suspected, these results remain valid in the setting of Hardy spaces \(H^p(\Gamma,w)\), \( 1 < p < \infty \), with general Muckenhoupt weights \(w\) over arbitrary Carleson curves \(\Gamma\).

Nitric Oxide Reductase (NOR) is an integral membrane protein performing the reduction of NO to N(2)O. NOR is composed of two subunits: the large one (NorB) is a bundle of 12 transmembrane helices (TMH). It contains a b type heme and a binuclear iron site, which is believed to be the catalytic site, comprising a heme b and a non-hemic iron. The small subunit (NorC) harbors a cytochrome c and is attached to the membrane through a unique TMH. With the aim to perform structural and functional studies of NOR, we have immunized dromedaries with NOR and produced several antibody fragments of the heavy chain (VHHs, also known as nanobodies). These fragments have been used to develop a faster NOR purification procedure, to proceed to crystallization assays and to analyze the electron transfer of electron donors. BIAcore experiments have revealed that up to three VHHs can bind concomitantly to NOR with affinities in the nanomolar range. This is the first example of the use of VHHs with an integral membrane protein. Our results indicate that VHHs are able to recognize with high affinity distinct epitopes on this class of proteins, and can be used as versatile and valuable tool for purification, functional study and crystallization of integral membrane proteins.

A instalação em larga escala de turbinas eólicas equipadas com um gerador de indução duplamente alimentado (GIDA) tem vindo a promover a realização de vários estudos relacionados com potenciais soluções para a sua integração na rede eléctrica. Nesta tese apresenta-se uma técnica de controlo que permite regular as potências activa e reactiva do GIDA de forma estável e independente. A sua viabilidade é suportada não só por um estudo teórico prévio mas também pelos resultados da simulação de modelos desenvolvidos usando o software Matlab?Simulink?. Apesar de este sistema funcionar a velocidade variável (ainda que dentro de certos limites), continua a existir a necessidade de limitar a potência fornecida pela turbina eólica quando a velocidade do vento assume valores superiores ao nominal. Assim, faz-se também uma breve análise de alguns métodos de regulação de potência activos e passivos.

The orange-coloured protein (ORP) from Desulfovibrio gigas is a 12 kDa protein that contains a novel mixed-metal sulfide cluster of the type [S(2)MoS(2)CuS(2)MoS(2)]. Diffracting crystals of the apo form of ORP have been obtained. Data have been collected for the apo form of ORP to 2.25 A resolution in-house and to beyond 2.0 A resolution at ESRF, Grenoble. The crystals belonged to a trigonal space group, with unit-cell parameters a = 43, b = 43, c = 106 A.

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A new faster control method is presented, inattempt to achieve stable operation and higher efficiency of anySeries Loaded Series Resonant (SLSR) power converter, andespecially when the application requires contactless energytransfer. This instantaneously reacting control method is basedon calculated individual energy portions delivered to theresonant circuit. Its viability is demonstrated by simulation of ananalogue circuit implementation.

THE CRETACEOUS SKELETON COAST OF ANGOLA JACOBS, Louis, SMU, Dallas, TX, USA; POLCYN, Michael, SMU, Dallas, TX, USA; MATEUS, Octávio, Museu da Lourinhã, Lourinhã, Portugal; SCHULP, Anne, Natuurhistorisch Museum Maastricht, Maastricht, Netherlands; NETO, André , Universidade Agostinho Neto, Luanda, Angola Cretaceous coastal sediments of Angola present a rich and diverse fauna of marine amniotes, including turtles, mosasaurs, and plesiosaurs. The abundance of mosasaurs in particular suggests a highly productive coastal area. Angola today lies at the northern limit of the Namibian Desert, the so-called Skeleton Coast, which results from prevailing southeasterly winds of the descending limb of the southern Hadley Cell sweeping across the African coast. The Benguela upwelling and a highly productive sea are found today off the Namibian Desert coast. However, the Benguela upwelling system, based on results of DSDP studies, is said to have originated in the late Neogene and therefore cannot explain the productivity found along the length of the West African coast. The explanation is found in the northward drift of Africa through the arid climate zone, and is demonstrated by the tracing of the paleogeographic position of fossil localities through time.

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Analisa-se e caracteriza-se por via experimental a ligação entre elementos de betão armado e materiais compósitos, nomeadamente com base nas fibras de vidro. Fabricaram-se vigas de betão armado que foram exteriormente reforçadas com GFRP. Os resultados obtidos experimentalmente foram comparados com os resultados conseguidos por intermédio de modelação computacional, recorrendo-se ao programa de cálculo ATENA 2D. Para melhor modelação de elementos de interface, foram realizados ensaios de corte tendo-se obtido valores que permitiram caracterizar a lei de rotura de Mohr-Coulomb. Os parâmetros estudados foram a evolução das forças máximas absorvidas pelo reforço; as tensões de aderência máximas; a distribuição das tensões de aderência.