Neutron Diffraction Study of Liquid N-Methylformamide Using EPSR Simulation

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

Quantitative Phase Analyses Through The Rietveld Method with X-Ray Powder Diffraction Data of Heat-Treated Carbamazepine Form III

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

Purification, Characterization, and Preliminary X-Ray Diffraction Analysis of a Lactose-Specific Lectin from Cymbosema roseum Seeds

The unique carbohydrate-binding property of lectins makes them invaluable tools in biomedical research. Here, we report the purification, partial primary structure, carbohydrate affinity characterization, crystallization, and preliminary X-ray diffraction analysis of a lactose-specific lectin from Cymbosema roseum seeds (CRLII). Isolation and purification of CRLII was performed by a single step using a Sepharose-4B-lactose affinity chromatography column. The carbohydrate affinity characterization was carried using assays for hemagglutination activity and inhibition. CRLII showed hemagglutinating activity toward rabbit erythrocytes. O-glycoproteins from mucine mucopolysaccharides showed the most potent inhibition capacity at a minimum concentration of 1.2 A mu g mL(-1). Protein sequencing by mass spectrometry was obtained by the digestion of CRLII with trypsin, Glu-C, and AspN. CRLII partial protein sequence exhibits 46% similarity with the ConA-like alpha chain precursor. Suitable protein crystals were obtained with the hanging-drop vapor-diffusion method with 8% ethylene glycol, 0.1 M Tris-HCl pH 8.5, and 11% PEG 8,000. The monoclinic crystals belong to space group P2(1) with unit cell parameters a = 49.4, b = 89.6, and c = 100.8 A....

Anomalous metamagnetic-like transition in a FeRh/Fe3Pt interface occurring at T approximate to 120 K in the field-cooled-cooling curves for low magnetic fields

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Composition of the first coordination sphere of Ni2+ in concentrated aqueous NiBr2 solutions by x-ray diffraction

Two concentrated solutions of NiBr2 have been examined by x-ray diffraction. The Fourier transformed scattering data indicate inner complex formation between Ni2 + and Br- ions. Average numbers of bonded bromide ions per nickel atom have been determined for each solution and the reliability of the complexation numbers as well as of the other structural parameters has been critically examined. © 1985 American Institute of Physics.

X-ray diffraction investigation of Co(II) ions in borosilicate glasses

The radial distribution functions of cobalt glasses with 6%, 8%, and 14% CoO are compared with those of suitable cobalt-free borosilicate matrices leading to difference distribution curves representative of the cobalt structural arrangement. Analysis of the curves indicates that cobalt ions are surrounded by approximately four oxygen neighbors at the distance expected for fourfold coordination. © 1986 American Institute of Physics.

High temperature X-ray diffraction study of the U4O9 formation on UO2 sintered plates

The surface oxidation of UO2 sintered plates at 170-275 ° C was studied in situ by high temperature X-ray diffractometry. At very low oxygen concentration, UO2 is oxidized to U4O9, while at 300°C and argon-20 vol% oxygen it is oxidized up to U3O7. X-ray diffraction profiles of the UO2, U4O9 and U3O7 phases were well characterized during the transformations. The activation energy for the transformation of UO2 to U4O9, obtained from X-ray diffraction data, was found to be 117 ± 9 kJ/mol and 90 ± 14 kJ/mol for the β-(311) and α-(200) reflections, respectively. © 1991.

Asymmetry of the Aharonov-Bohm diffraction pattern and Ehrenfests theorem

The electron-diffraction pattern for two slits with magnetic flux confined to an inaccessible region between them is calculated. The Aharonov-Bohm effect gives a diffraction pattern that is asymmetric but has a symmetric envelope. In general, both the expected displacement and the kinetic momentum of the electron are nonzero as a consequence of the asymmetry. Nevertheless, Ehrenfests theorems and the conservation of momentum are satisfied. © 1992 The American Physical Society.

Anomalous flow behaviour of bauxite tailings

This paper deals with the anomalous flow behaviour observed in two bauxite tailings pumping systems, with 450 mm and 680 mm outer diameter. In order to enlarge the pipeline lengths in the field, tests were carried out in a laboratory test-loop in order to try to understand the anomalous (intermittent) flow behaviour and to solve the problem. Based on data obtained from these laboratory tests and using a generalized REYNOLDS number it was possible to obtain results that fit the MOODY ROUSE diagram.

Hamiltonian quantization of the non-anomalous generalized Schwinger model

We quantize a generalized version of the Schwinger model, where the two chiral sectors couples with different strengths to the U(1) gauge field. Starting from a theory which includes a generalized Wess-Zumino term, we obtain the equal time commutation relation for physical fields, both the singular and non-singular cases are considered. The photon propagators are also computed in their gauge dependent and invariant versions. © 1995 Springer-Verlag.

Non-anomalous generalized chiral Schwinger model

Recently, Basseto and Griguolo1 did a perturbative quantization of what they called a generalized chiral Schwinger model. As a consequence of the kind of quantization adopted, some gauge-dependent masses raised in the model. On the other hand, we discussed the possibility of introducing a generalized Wess-Zumino term,2 where such gauge-dependent masses did appear. Here we intend to show that one can construct a non-anomalous version of a model which include that, presented by Basseto and Griguolo as a particular case, by adding to it a generalized Wess-Zumino term, as proposed in Ref. 2. So we conclude that it is possible to construct a gauge-invariant extension of the model quoted in Ref. 1, and this can be done through a Wess-Zumino term of the type proposed in Ref. 2.

C - H ⋯ 0 and N - H ⋯ 0 hydrogen bonds in liquid amides investigated by monte carlo simulation

Monte Carlo simulations of liquid formamide, N-methylformamide (MF), and N, N-dimethytformamide (DMF) have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ⋯ O and N-H ⋯ O hydrogen bonds. The interaction energy was calculated using the classical 6-12 Lennard-Jones pairwise potential plus a Coulomb term on a rigid six-site molecular model with the potential parameters being optimized in this work. Theoretical values obtained for heat of vaporization and liquid densities are in good agreement with the experimental data. The radial distribution function [RDF, g(r)] obtained compare well with R-X diffraction data available. The RDF and molecular mechanics (MM2) minimization show that the C-H ⋯ O interaction has a significant role in the structure of the three liquids. These results are supported by ab initio calculations. This interaction is particularly important in the structure of MF. The intensity of the N - H ⋯ O hydrogen bond is greater in the MF than formamide. This could explain some anomalous properties verified in MF. © 1997 John Wiley & Sons, Inc.

Limits on anomalous couplings from higgs boson production at the fermilab tevatron collider

We estimate the attainable limits on the coefficients of dimension-6 operators from the analysis of Higgs boson phenomenology, in the framework of a SU L(2) × U y(1) gauge-invariant effective Lagrangian. Our results, based on the data sample already collected by the collaborations at Fermilab Tevatron, show that the coefficients of Higgs-vector boson couplings can be determined with unprecedented accuracy. Assuming that the coefficients of all blind operators are of the same magnitude, we are also able to impose mere restrictive bounds on the anomalous vector-boson triple couplings than the present limit from double gauge boson production at the Tevatron collider.

Crystallization and X-ray diffraction data analysis of oxyhemoglobin-I from the catfish Liposarcus anisitsi (pisces)

Hemoglobin remains, despite the enormous amount of research involving this molecule, as a prototype for allosteric models and new conformations. Functional studies carried out on Hemoglobin-I from the South-American Catfish Liposarcus anisitsi [1] suggest the existence of conformational states beyond those already described for human hemoglobin, which could be confirmed crystallographically. The present work represents the initial steps towards that goal.

Limits on anomalous top couplings from Z pole physics

We obtain constraints on possible anomalous interactions of the top quark with the electroweak vector bosons arising from the precision measurements at the Z pole. In the framework of SU(2)L ⊕ U(1)Y chiral Lagrangians, we examine all effective CP-conserving operators of dimension five which induce fermionic currents involving the top quark. We constrain the magnitudes of these anomalous interactions by evaluating their one-loop contributions to the Z pole physics. Our analysis shows that the operators that contribute to the LEP observables get bounds close to the theoretical expectation for their anomalous couplings. We also show that those which break the SU(2)C custodial symmetry are more strongly bounded. © 1997 Elsevier Science B.V.