Incorporation of Ag nanoparticles into membrane mimetic systems composed by phospholipid layer-by-layer (LbL) films to achieve surface-enhanced Raman scattering as a tool in drug interaction studies

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

Coupling Surface-Enhanced Resonance Raman Scattering and Electronic Tongue as Characterization Tools to Investigate Biological Membrane Mimetic Systems

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

Surface-enhanced raman scattering: metal nanostructures coated with langmuir-blodgett films

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

Self-assembling of phenothiazine compounds investigated by small-angle X-ray scattering and electron paramagnetic resonance spectroscopy

Small-angle X-ray scattering (SAXS) and electron paramagnetic resonance (EPR) have been carried out to investigate the structure of the self-aggregates of two phenothiazine drugs, chlorpromazine (CPZ) and trifluoperazine (TFP), in aqueous solution. In the SAXS studies, drug solutions of 20 and 60 mM, at pH 4.0 and 7.0, were investigated and the best data fittings were achieved assuming several different particle form factors with a homogeneous electron density distribution in respect to the water environment. Because of the limitation of scattering intensity in the q range above 0.15 angstrom(-1), precise determination of the aggregate shape was not possible and all of the tested models for ellipsoids, cylinders, or parallelepipeds fitted the experimental data equally well. The SAXS data allows inferring, however, that CPZ molecules might self-assemble in a basis set of an orthorhombic cell, remaining as nanocrystallites in solution. Such nanocrystals are composed of a small number of unit cells (up to 10, in c-direction), with CPZ aggregation numbers of 60-80. EPR spectra of 5- and 16-doxyl stearic acids bound to the aggregates were analyzed through simulation, and the dynamic and magnetic parameters were obtained. The phenothiazine concentration in EPR experiments was in the range of 5-60 mM. Critical aggregation concentration of TFP is lower than that for CPZ, consistent with a higher hydrophobicity of TFP. At acidic pH 4.0 a significant residual motion of the nitroxide relative to the aggregate is observed, and the EPR spectra and corresponding parameters are similar to those reported for aqueous surfactant micelles. However, at pH 6.5 a significant motional restriction is observed, and the nitroxide rotational correlation times correlate very well with those estimated for the whole aggregated particle from SAXS data. This implies that the aggregate is densely packed at this pH and that the nitroxide is tightly bound to it producing a strongly immobilized EPR spectrum. Besides that, at pH 6.5 the differences in motional restriction observed between 5- and 16-DSA are small, which is different from that observed for aqueous surfactant micelles.

Scattering of neutral fermions by a pseudoscalar potential step in two-dimensional spacetime

The problem of scattering of neutral fermions in two-dimensional spacetime is approached with a pseudoscalar potential step in the Dirac equation. Some unexpected aspects of the solutions beyond the absence of Klein's paradox are presented. An apparent paradox concerning the uncertainty principle is solved by introducing the concept of effective Compton wavelength. Added plausibility for the existence of bound-state solutions in a pseudoscalar double-step potential found in a recent Letter is given. (C) 2003 Elsevier B.V. B.V. All rights reserved.

On the scattering of massive spinless bosons by a nonminimal vector smooth step potential

The Duffin-Kemmer-Petiau (DKP) equation for massive spinless bosons in the presence of a nonminimal vector smooth step potential is revised. The problem is mapped into a Sturm-Lionville equation. The reflection and transmission coefficients are obtained and discussed in detail. Furthermore; we show that Klein's paradox does not show its face in this sort of interaction.

Scattering and bound states of spinless particles in a mixed vector-scalar smooth step potential

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Scattering and bound states of spin-0 particles in a nonminimal vector double-step potential

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Docking and small angle X-ray scattering studies of purine nucleoside phosphorylase

Docking simulations have been used to assess protein complexes with some success. Small angle X-ray scattering (SAXS) is a well-established technique to investigate protein spatial configuration. This work describes the integration of geometric docking with SAXS to investigate the quaternary structure of recombinant human purine nucleoside phosphorylase (PNP). This enzyme catalyzes the reversible phosphorolysis of N-ribosidic bonds of purine nucleosides and deoxynucleosides. A genetic deficiency due to mutations in the gene encoding for PNP causes gradual decrease in T-cell immunity. Inappropriate activation of T-cells has been implicated in several clinically relevant human conditions such as transplant rejection, rheumatoid arthritis, lupus, and T-cell lymphomas. PNP is therefore a target for inhibitor development aiming at T-cell immune response modulation and has been submitted to extensive structure-based drug design. The present analysis confirms the trimeric structure observed in the crystal. The potential application of the present procedure to other systems is discussed. (C) 2003 Elsevier B.V. All rights reserved.

Extruded vesicles of dioctadecyldimethylammonium bromide and chloride investigated by light scattering and cryogenic transmission electron microscopy

Combined dynamic and static light scattering (DLS, SLS) and cryogenic transmission electron microscopy (cryo-TEM) were used to investigate extruded cationic vesicles of dioctadecyldimethylammonium chloride and bromide (DODAX, X being Cl- or Br-). In salt-free dispersions the mean hydrodynamic diameter, D-h, and the weight average molecular weight, M-w, are larger for DODAB than for DODAC vesicles, and both D-h and M-w increase with the diameter (phi) of the extrusion filter. NaCl (NaBr) decreases (increases) the DODAB (DODAC) vesicle size, reflecting the general trend of DODAB to assemble as larger vesicles than DODAC. The polydispersity index is lower than 0.25, indicating the dispersions are rather polydisperse. Cryo-TEM micrographs show that the smaller vesicles are spherical while the larger ones are oblong or faceted, and the vesicle samples are fairly polydisperse in size and morphology. They also indicate that the vesicle size increases with phi and DODAB assembles as larger vesicles than DODAC. Lens-shaped vesicles were observed in the extruded preparations. Both light scattering and cryo-TEM indicate that the vesicle size is larger or smaller than phi when phi is smaller or larger than the optimal phi* approximate to 200 nm. (C) 2008 Elsevier B.V. All rights reserved.

Thermal and Structural Behavior of Dioctadecyldimethylammonium Bromide Dispersions Studied by Differential Scanning Calorimetry and X-Ray Scattering

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

Scattering of positronium by H, He, Ne, and Ar

The low-energy scattering of the ortho-positronium (Ps) by H, He, Ne, and Ar atoms has been investigated in the coupled-channel framework by using a recently proposed time-reversal symmetric non-local electron-exchange model potential with a single parameter C. For H and He, we use a three-Ps-state coupled-channel model and, for Ar and Ne, we use a static-exchange model. The sensitivity of the results is studied with respect to the parameter C. Present low-energy cross-sections for He, Ne and Ar are in good agreement with experiment. (C) 2000 Elsevier B.V. B.V. All rights reserved.

Dynamics of bright matter-wave solitons in a Bose-Einstein condensate with inhomogeneous scattering length

We investigate dynamical effects of a bright soliton in Bose-Einstein condensed (BEC) systems with local and smooth space variations of the two-body atomic scattering length. It includes a discussion about the possible observation of a new type of standing nonlinear atomic matter wave in cigar-type traps. A rich dynamics is observed in the interaction between the soliton and an inhomogeneity. By considering an analytical time-dependent variational approach and also full numerical simulation of one-dimensional and three-dimensional Gross-Pitaevskii equations, we study processes such as trapping, reflection and transmission of the bright matter soliton due to the impurity. We also derive conditions for the collapse of the bright solitary wave, considering a quasi-one-dimensional BEC with attractive local inhomogeneity.

Resonance in Bose-Einstein condensate oscillation from a periodic variation in scattering length

Using the explicit numerical solution of the axially symmetric Gross-Pitaevskii equation, we study the oscillation of the Bose-Einstein condensate (BEC) induced by a periodic variation in the atomic scattering length a. When the frequency of oscillation of a is an even multiple of the radial or axial trap frequency, respectively, the radial or axial oscillation of the condensate exhibits resonance with a novel feature. In this nonlinear problem without damping, at resonance in the steady state the amplitude of oscillation passes through a maximum and minimum. Such a growth and decay cycle of the amplitude may keep on repeating. Similar behaviour is also observed in a rotating BEC.

Positronium-hydrogen atom elastic scattering at medium energies

We study the elastic scattering of positronium atoms by hydrogen atoms at medium energies using partial-wave Born-Oppenheimer (BO) exchange amplitudes and report accurate BO cross sections in the energy range 0 to 60 eV. The present BO results agree with a 22-state R-matrix and a five-state coupled-channel model potential calculation, but disagree strongly with a conventional close-coupling calculation as well as its input BO amplitudes at medium energies.