Direct Observation of Tetragonal Distortion in Epitaxial Structures through Secondary Peak Split in a Synchrotron Radiation Renninger Scan

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Crystal structure of hemoglobin from the maned wolf (Chrysocyon brachyurus) using synchrotron radiation

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

The interaction between atoms of Au and Cu with clean Si(111) surface: A study combining synchrotron radiation grazing incidence X-ray fluorescence analysis and theoretical calculations

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Hybrid reflections in InGaP/GaAs(001) by synchrotron radiation multiple diffraction

Hybrid reflections (HRs) involving substrate and layer planes (SL type) [Morelhao et al., Appl. Phys. Len. 73 (15), 2194 (1998)] observed in Chemical Beam Epitaxy (CBE) grown InGaP/GaAs(001) structures were used as a three-dimensional probe to analyze structural properties of epitaxial layers. A set of (002) rocking curves (omega-scan) measured for each 15 degrees in the azimuthal plane was arranged in a pole diagram in phi for two samples with different layer thicknesses (#A -58 nm and #B - 370 nm) and this allowed us to infer the azimuthal epilayer homogeneity in both samples. Also, it was shown the occurrence of (1 (1) over bar3) HR detected even in the thinner layer sample. Mappings of the HR diffraction condition (omega:phi) allowed to observe the crystal truncation rod through the elongation of HR shape along the substrate secondary reflection streak which can indicate in-plane match of layer/substrate lattice parameters. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Citrus greening disease investigation using micro synchrotron radiation X-ray fluorescence in association with soft independent modelling of class analogy (SIMCA)

This study describes the use of micro synchrotron radiation X-ray fluorescence (µSR-XRF) to investigate citrus greening disease in sweet orange (Citrus sinensis) plants. An experiment using healthy plants as control and plants of the same variety infected with Candidatus Liberibacter asiaticus (CLas) was performed to verify variations of the mineral composition of citrus leaves. A µSR-XRF system using the D09B X-ray fluorescence beam line at the Brazilian Synchrotron Light Source (LNLS, Campinas, São Paulo State) was employed for this purpose. The data were analyzed using a chemometric tool called soft independent modelling of class analogy (SIMCA). The promising results from SIMCA models reinforce the evidence that plants infected by citrus greening (both asymptomatic and symptomatic) undergo alterations in their micro- and macronutrient compositions.

Evidence of defect-mediated magnetic coupling on hydrogenated Co-doped ZnO

Hydrogenated bulk Zn1-xCoxO samples were synthesized via standard solid-state reaction route with Co molar concentrations up to 15 at.%. Magnetic characterization demonstrates a room temperature ferromagnetic behavior associated to a paramagnetic Curie-Weiss component. Detailed microstructural analysis was carried out to exclude the presence of extrinsic sources of ferromagnetism. The magnetization increases linearly as a function of Co concentration. Hall measurements reveal an insulating character for the whole set of samples. In this context, the defect mediated magnetic coupling between the Co atoms under the scope of the bound magnetic polarons model is used to interpret the observed room temperature ferromagnetism. © 2012 Elsevier B.V. All rights reserved.

Synchrotron X-ray powder diffraction data of atorvastatin

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Synchrotron structural characterization of electrochemically synthesized hexacyanoferrates containing K(+): A revisited analysis of electrochemical redox

The presumably soluble KFe(+3)[Fe(2+)(CN)(6)] structure of electrochemically synthesized hexacyanoferrate materials (Prussian Blue) containing K(+) ions was determined for the first time in this study. Prior to drawing conclusions from a structural analysis, the main goal was to make a precise analysis of the inferred soluble structure, that is, KFe(+3) [Fe(2+)(CN)(6)], which is frequently referred to in the literature as the final stable electrochemically synthesized structure. Indeed, a successful X-ray powder diffraction experiment using X-ray synchrotron radiation was made of a powder placed in a 0.5 mm diameter borosilicate glass capillary, which was obtained by removing sixty 90 nm thin films from the substrates on which they were prepared. However, the conclusions were highly unexpected, because the structure showed that the [Fe(CN)61 group was absent from similar to 25% of the structure, invalidating the previously presumed soluble KFe(+3)[Fe(2+)(CN)(6)] structure. This information led to the conclusion that the real structure of Prussian Blue electrochemically synthesized after the stabilization process is Fe(4)[Fe(CN)(6)](3)center dot mH(2)O containing a certain fraction of inserted K(+) ions. In fact, based on an electrogravimetric analysis (Gimenez-Romero et al., J. Phys. Chem. B 2006, 110, 2715 and 19352) complemented by the Fourier maps. it is possible to affirm that the K(+) was part of the water crystalline substructure. Therefore, the interplay mechanism was reexamined considering more precisely the role played by the water crystalline substructure and the K+ alkali metal ion. As a final conclusion, it is proposed that the most precise way to represent the structure of electrochemically synthesized and stabilized hexacyanoferrate materials is Fe(4)(3+) Fe(2+)(CN)(6)](3)center dot[K(h)(+)center dot OH(h)(-)center dot mH(2)O]. The importance of this result is that the widespread use of the terms soluble and insoluble in the electrochemical literature could be reconsidered. Indeed, only one type of structure is insoluble, and that is Fe(4)[Fe(CN)(6)](3)center dot mH(2)O hence, the use of the terms soluble and insoluble is inappropriate from a structural point of view. The result of the presence of the [Fe(CN)61 vacancy a, roup is that the water Substructure cannot be ignored in the ionic interplay mechanism which controls the intercalation and redox process, as was previously confirmed by electrogravimetric analyses (Gimenez-Romero et al., J. Phys. Chem. B 2006, 110, 2715 Garcia-Jareno et al., Electrochim. Acta 1998, 44, 395: Kulesza, Inorg. Chem. 1990, 29, 2395).

Purification and preliminary crystallographic analysis of a new Lys49-PLA2 from B-jararacussu

BjVIII is a new myotoxic Lys49-PLA2 isolated from Bothrops jararacussu venom that exhibits atypical effects on human platelet aggregation. To better understand the mode of action of BjVIII, crystallographic studies were initiated. Two crystal forms were obtained, both containing two molecules in the asymmetric unit (ASU). Synchrotron radiation diffraction data were collected to 2.0 angstrom resolution and 1.9 angstrom resolution for crystals belonging to the space group P2(1)2(1)2(1) (a = 48.4 angstrom, b = 65.3 angstrom, c = 84.3 angstrom) and space group P3(1)21 (a = b = 55.7 angstrom, c = 127.9 angstrom), respectively. Refinement is currently in progress and the refined structures are expected to shed light on the unusual platelet aggregation activity observed for BjVIII.

Crystallization, preliminary X-ray analysis and molecular-replacement solution of haemoglobin-II from the fish matrinxa (Brycon cephalus)

Haemoglobins constitute a set of proteins with interesting structural and functional properties, especially when the two large animal groups reptiles and fishes are focused on. Here, the crystallization and preliminary X-ray analysis of haemoglobin-II from the South American fish matrinxa (Brycon cephalus) is reported. X-ray diffraction data have been collected to 3.0 Angstrom resolution using synchrotron radiation (LNLS). Crystals were determined to belong to space group P2(1) and preliminary structural analysis revealed the presence of two tetramers in the asymmetric unit. The structure was determined using the standard molecular-replacement technique.

Crystallization and preliminary X-ray diffraction analysis of a eumenine mastoparan toxin: a new class of mast-cell degranulating peptide in the wasp venom

Mastoparans are tetradecapeptides found to be the major component of vespid venoms. A mastoparan toxin isolated from the venom of Anterhynchium flavomarginatum micado has been crystallized and X-ray diffraction data collected to 2.7 Angstrom resolution using a synchrotron-radiation source. Crystals were determined to belong to the space group P6(2)22 (P6(4)22). This is the first mastoparan to be crystallized and will provide further insights into the conformational significance of mastoparan toxins with respect to their potency and activity in G-protein regulation.

Crystallization and preliminary X-ray diffraction analysis of a myotoxic phospholipase A(2) homologue from Bothrops neuwiedi pauloensis venom

Crystals of a myotoxic phospholipase A(2) from Bothrops neuwiedi pauloensis have been obtained. They diffracted at 2.5 Angstrom resolution using a synchrotron radiation source and belong to space group P3(1)21. Preliminary analysis shows that there are two molecules in the asymmetric unit. (C) 1999 Elsevier B.V. B.V. All rights reserved.

Crystallization, preliminary X-ray analysis and Patterson search of a new aspartic protease isolated from human urine

Aspartic protease (EC 3.4.23) make up a widely distributed class of enzymes in animals, plants, microbes and, viruses. In animals these enzymes perform diverse functions, which range from digestion of food proteins to very specific regulatory roles. In contrast the information about the well-characterized aspartic proteases, very little is known about the corresponding enzyme in urine. A new aspartic protease isolated from human urine has been crystallized and X-ray diffraction data collected to 2.45 Angstrom resolution using a synchrotron radiation source. Crystals belong to the space group P2(1)2(1)2(1) the cell parameters obtained were a=50.99, b=75.56 and c=89.90 Angstrom. Preliminary analysis revealed the presence of one molecule in the asymmetric unit. The structure was determined using the molecular replacement technique and is currently being refined using simulated annealing and conjugate gradient protocols.

Crystallization and preliminary X-ray diffraction studies of BnSP-6, a myotoxic phospholipase A2 from Bothrops neuwiedi venom

BnSP-6 (myotoxin I) is a phospholipase A2 homologue isolated from Bothrops neuwiedi pauloensis venom. Crystals of BnSP-6 were obtained which diffracted X-rays to 2.5 Angstrom resolution using a synchrotron radiation source at room temperature and belong to space group P3(1)21. The unit cell dimensions are a=b=57.7, c=131.1 Angstrom. The structure was solved by molecular replacement using the coordinates of bothropstoxin I from B. jararacussu venom. There are two molecules in the asymmetric unit.

Crystallization and preliminary X-ray diffraction studies of BmooPLA(2)-I, a platelet-aggregation inhibitor and hypotensive phospholipase A(2) from Bothrops moojeni venom

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)