Purification, crystallization and preliminary X-ray diffraction analysis of adenosine triphosphate sulfurylase (ATPS) from the sulfate-reducing bacterium Desulfovibrio desulfuricans ATCC 27774

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Jul 1;64(Pt 7):593-5

Heterodimeric nitrate reductase (NapAB) from Cupriavidus necator H16: purification, crystallization and preliminary X-ray analysis

Acta Cryst. (2007). F63, 516–519

On the analysis of data emerging in non-linear and complex systemscomparison of two X-Ray prony spectra

New arguments proving that successive (repeated) measurements have a memory and actually remember each other are presented. The recognition of this peculiarity can change essentially the existing paradigm associated with conventional observation in behavior of different complex systems and lead towards the application of an intermediate model (IM). This IM can provide a very accurate fit of the measured data in terms of the Prony's decomposition. This decomposition, in turn, contains a small set of the fitting parameters relatively to the number of initial data points and allows comparing the measured data in cases where the “best fit” model based on some specific physical principles is absent. As an example, we consider two X-ray diffractometers (defined in paper as A- (“cheap”) and B- (“expensive”) that are used after their proper calibration for the measuring of the same substance (corundum a-Al2O3). The amplitude-frequency response (AFR) obtained in the frame of the Prony's decomposition can be used for comparison of the spectra recorded from (A) and (B) - X-ray diffractometers (XRDs) for calibration and other practical purposes. We prove also that the Fourier decomposition can be adapted to “ideal” experiment without memory while the Prony's decomposition corresponds to real measurement and can be fitted in the frame of the IM in this case. New statistical parameters describing the properties of experimental equipment (irrespective to their internal “filling”) are found. The suggested approach is rather general and can be used for calibration and comparison of different complex dynamical systems in practical purposes.

Giant Pericardial Cyst Mimicking Dextrocardia on Chest X-Ray

Pericardial cysts are rare benign congenital malformations, usually small, asymptomatic and detected incidentally on chest X-ray as a mass located in the right costophrenic angle. Giant pericardial cysts are very uncommon and produce symptoms by compressing adjacent structures. In this report, the authors present a case of a symptomatic giant pericardial cyst incorrectly diagnosed as dextrocardia on chest X-ray.

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.

Correlating EPR and X-ray structural analysis of arsenite-inhibited forms of aldehyde oxidoreductase

J Biol Inorg Chem (2007) 12:353–366 DOI 10.1007/s00775-006-0191-9

X-ray crystal structure and EPR spectra of "arsenite-inhibited" Desulfovibriogigas aldehyde dehydrogenase: a member of the xanthine oxidase family

J. Am. Chem. Soc., 2004, 126 (28), pp 8614–8615 DOI: 10.1021/ja0490222

Integrated study by NMR and X-ray Crystallography on the analysis of the molecular interactions in heme-binding proteins

Dissertação para obtenção do Grau de Doutor em Bioquímica, Especialidade Bioquímica Estrutural

Molecular determinants of ligand specificity in carbohydrate-binding modules: an NMR and X-ray crystallography integrated study

Dissertação para obtenção do Grau de Doutor em Bioquímica – Ramo Bioquímica Estrutural

Electron impact ionization cross sections and analysis of X-ray spectra

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

Scanning electron microscopy and X-ray spectroscopy applied to mycelial phase of sporothrix schenckii

Scanning electron microscopy applied to the mycelial phase of Sporothrix schenckii shows a matted mycelium with conidia of a regular pattern. X-Ray microanalysis applied in energy dispersive spectroscopy and also in wavelength dispersive spectroscopy reveals the presence of several elements of Mendeleef's classification.

Bowel X-ray alterations in acute human schistosomiasis

A radiological study of the small intestine of 17 untreated patients in the acute phase ofschistosomiasis was performed. Twelve patients (70% of total) had alterations: nine had clear-cut thickening of the duodenal and jejunal folds, one flocculation, one fragmentation and one thickening of mucosae, flocculation and fragmentation of the barium column. There was no correlation of the gastrointestinal symptomatology (vomiting, diarrhoea, dysentery, hepatomegaly) neither with the parasitological load nor with the x-ray alterations.

Charles e Ray Eames, o casamento entre razão e emoção no design

O racionalismo surge como uma corrente filosófica, cuja operação mental e lógica é evidenciada. Sendo a principal característica do pensamento moderno o método, a bauhaus representa para o design a forma como a indústria se despiu dos ornamentos, buscando o ideal de forma e função. Numa corrente contemporânea, o design emocional retoma, além das funções que um objeto pode ter, estéticas, práticas e simbólicas, também as emocionais de identificação, fazendo rever os métodos. Este artigo faz uma relação deste contexto com a forma brilhante com que o casal Charles e Ray Eames, criou um método absolutamente emocional para a criação do design, iniciando, com a invenção do contraplacado, e depois com acesso a diversas tecnologias advindas do pós-guerra, um processo muito interessante de construção de design, aliando arte e técnica, produzindo assentos atemporais, encontrados facilmente no mundo contemporâneo.

Gd2O3: Eu Nanoparticle-Based Poly(vinylidene fluoride) Composites for Indirect X-ray Detection

Polymer based scintillator composites have been fabricated by combining poly(vinylidene fluoride) (PVDF) and Gd2O3:Eu nanoparticles (50nm). PVDF has been used since it is a flexible and stable binder matrix and highly resistance to thermal and light deterioration. Gd2O3:Eu has been selected as scintillator material due to its wide band gap, high density and suitable visible light yield. The structural, mechanical, thermal and electrical characteristics of the composites were studied as a function of filler content, together with their performance as scintillator material. The introduction of Gd2O3:Eu nanoparticles into the PVDF matrix does not influence the morphology of the polymer or the degree of crystallinity. On the other hand, an increase of the Young´s modulus with respect to PVDF matrix is observed for filler contents of 0.1-0.75 wt.%. The introduction of Gd2O3:Eu into the PVDF matrix increases dielectric constant and DC electrical conductivity as well as the visible light yield in the nanocomposite, being this increase dependent upon Gd2O3:Eu content and X-ray input power. In this way, Gd2O3:Eu/PVDF composites shows suitable characteristics to be used as X-ray radiation transducers, in particular for large area applications.

Espectroscopía de emisión de rayos x. Aplicación a la caracterización de materiales. X-ray emission spectroscopy. Application to materials characterization

La idea principal del proyecto abarca el estudio de parámetros y fenómenos físicos. Los avances logrados se aplicarán al desarrollo de software y metodologías para cuantificación de materiales mediante microanálisis con sonda de electrones y microscopía electrónica de barrido. El microanálisis no es una técnica absoluta, sino que requiere de estándares de referencia, para obviar el uso de ciertos parámetros geométricos y atómicos difíciles de conocer con una precisión adecuada. Para contar con un método sin estándares debe abordarse la determinación de parámetros atómicos e instrumentales, que es uno de los aspectos que se desea encarar en este proyecto. Por otro lado, también se pretende incluir los parámetros estudiados en un software de cuantificación desarrollado por integrantes del proyecto. Otro de los propósitos del plan de trabajo es estudiar la potencialidad de la resolución espacial de una microsonda de electrones con el fin de desarrollar una metodología para caracterizar interfases, bordes de granos e inclusiones, con resolución submicrométrica, ya que los métodos tradicionales de cuantificación se restringen al caso de muestras planas y homogéneas dentro del volumen de interacción, pero la caracterización de inhomogeneidades a nivel micrométrico no ha sido desarrollada todavía, salvo algunas excepciones. The main idea of this project involves the study of physical parameters and phenomena. The concretion of the different goals will permit the elaboration of softeare and methodologies for materials characterization by means of electron probe microanalysis and scanning microscopy. Electron probe microanalysis is not an absolute technique, but requires reference standards in order not to involve certain geometrical and atomic parameters for which high uncertainties cannot be avoided. In order to have standardless method, the determination of atomic and instrumental parameters must be accomplished, as will be faced through this project. Complementary, the parameters studied will be included in a quantification software developed in our research group of FaMAF. Another objective of this activity plan is to study the spatial resolution potentiality of a focalized electron beam, with the aim of characterizing interphases, grain boundaries and inclusions with submicron sensitivity, since the traditional quantification procedures are restricted to flat homogeneous samples, whereas the characterization of inhomogeneities has not been developed yet.