diffuse scattering Dotaz Zobrazit nápovědu
A new approach to local structure determination is presented. A three-dimensional region of the reciprocal space of a SrTiO(3) single crystal was mapped by measuring x-ray diffuse scattering patterns at different sample orientations in order to reconstruct the local atomic structure. The phase problem was solved by means of anomalous scattering from strontium atoms at photon energies near their K absorption edge. Real-space reconstruction provides the average short-range order atomic arrangement in the vicinity of anomalous scatterers up to a distance of several unit cells.
- Publikační typ
- časopisecké články MeSH
Our study compares short-range order parameters refined from the diffuse scattering in single-crystal X-ray and single-crystal electron diffraction data. Nb0.84CoSb was chosen as a reference material. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms were refined from the diffuse scattering using a Monte Carlo refinement in DISCUS. The difference between the Sb and Co displacements refined from the diffuse scattering and the Sb and Co displacements refined from the Bragg reflections in single-crystal X-ray diffraction data is 0.012 (7) Å for the refinement on diffuse scattering in single-crystal X-ray diffraction data and 0.03 (2) Å for the refinement on the diffuse scattering in single-crystal electron diffraction data. As electron diffraction requires much smaller crystals than X-ray diffraction, this opens up the possibility of refining short-range order parameters in many technologically relevant materials for which no crystals large enough for single-crystal X-ray diffraction are available.
- Klíčová slova
- 3D difference pair distribution functions, 3D electron diffraction, 3D-ΔPDF, 3DED, single-crystal diffuse scattering,
- Publikační typ
- časopisecké články MeSH
A coherence-controlled holographic microscope (CCHM) enables quantitative phase imaging with coherent as well as incoherent illumination. The low spatially coherent light induces a coherence gating effect, which makes observation of samples possible also through scattering media. The paper describes theoretically and simulates numerically imaging of a two-dimensional object through a static scattering layer by means of CCHM, with the main focus on the quantitative phase imaging quality. The authors have investigated both strongly and weakly scattering media characterized by different amounts of ballistic and diffuse light. It is demonstrated that the phase information can be revealed also for the case of the static, strongly scattering layer. The dependence of the quality of imaging process on the spatial light coherence is demonstrated. The theoretical calculations and numerical simulations are supported by experimental data gained with a model phase object, as well as living carcinoma cells treated in an optically turbid emulsion.
Three-layer nanoparticles were prepared by radiation-induced polymerization of 1-10 g/L of methyl methacrylate dissolved in a 0.1 wt % D(2)O solution of polystyrene-poly(methacrylic acid) (PS-PMA) micelles. According to NMR and small-angle neutron scattering (SANS), most of the poly(methyl methacrylate) (PMMA) is adsorbed at the core-shell interface of the particles. A small fraction of shorter PMMA probably sticks to outer parts of the PMA chains. The absorption kinetics and equilibria of benzene and chloroform were studied by NMR and SANS time-resolved experiments. The diffusion front in the PS core is very narrow but quite broad in the PMMA sheet suggesting, thus, a less compact state of PMMA. According to SANS, the diffusion kinetics is almost independent of the PMMA sheet thickness. In contrast to it, the absorption capacity, reflected by both SANS and NMR, increases markedly with the PMMA content in the particle. The maximum amount of solubilized compound depends on its positive interaction with PMMA (expressed by the chi parameter) but is restricted by the growing interface tension between swollen PMMA and D(2)O. In accordance with this conclusion, a particle saturated with benzene can absorb chloroform only at the expense of a part of benzene expelled into the surrounding medium and vice versa. Starting with 10 g PMMA/L (10 times the weight of the original micelles), the particles become unstable when being swollen with a good solvent.
- MeSH
- časové faktory MeSH
- kyseliny polymethakrylové chemie MeSH
- magnetická rezonanční spektroskopie metody MeSH
- micely MeSH
- nanostruktury chemie MeSH
- neutronová difrakce * MeSH
- polymethylmethakrylát chemická syntéza chemie MeSH
- polystyreny chemie MeSH
- povrchové vlastnosti MeSH
- protony MeSH
- radiační rozptyl MeSH
- rozpustnost MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- kyseliny polymethakrylové MeSH
- micely MeSH
- polymethacrylic acid MeSH Prohlížeč
- polymethylmethakrylát MeSH
- polystyreny MeSH
- protony MeSH
Nucleation and growth kinetics of nanoparticles of hexagonal ω phase in a body-centered cubic β titanium matrix in single crystals of β-Ti alloys were investigated by small-angle x-ray scattering measured in-situ during ageing at various temperatures up to 450 °C. The experimental data were compared with numerical simulations based on a three-dimensional short-range order model of nanoparticle self-ordering. The x-ray contrast of the particles is caused by an inhomogeneous distribution of impurity atoms (Mo, Fe and Al), whose density profile around growing nanoparticles was simulated by solving the corresponding diffusion equation with moving boundary conditions. From the analysis of the experimental data we determined the mean distance and size of the nanoparticles and confirmed the validity of the ∝ t1/3 growth law following from the Lifshitz-Slyozov-Wagner theory. From a detailed comparison of the experimental data with simulations we also assessed the diffusion coefficient of the impurity atoms and its activation energy.
- Klíčová slova
- Ti alloys, self-ordering, small-angle x-ray scattering, ω-Ti phase,
- Publikační typ
- časopisecké články MeSH
Efficient separation and sensitive identification of pathogenic bacterial strains is essential for a prosperous modern society, with direct applications in medical diagnostics, drug discovery, biodefense, and food safety. We developed a fast and reliable method for antibody-based selective immobilization of bacteria from suspension onto a gold-plated glass surface, followed by detection using strain-specific antibodies linked to gold nanoparticles decorated with a reporter molecule. The reporter molecules are subsequently detected by surface-enhanced Raman spectroscopy (SERS). Such a multi-functionalized nanoparticle is called a SERS-tag. The presented procedure uses widely accessible and cheap materials for manufacturing and functionalization of the nanoparticles and the immobilization surfaces. Here, we exemplify the use of the produced SERS-tags for sensitive single-cell detection of opportunistic pathogen Escherichia coli, and we demonstrate the selectivity of our method using two other bacterial strains, Staphylococcus aureus and Serratia marcescens, as negative controls. We believe that the described approach has a potential to inspire the development of novel medical diagnostic tools for rapid identification of bacterial pathogens.
- Klíčová slova
- Escherichia coli, SERS-tag, sandwich immunoassay, single-cell detection,
- MeSH
- Escherichia coli MeSH
- kovové nanočástice * chemie MeSH
- protilátky chemie MeSH
- Ramanova spektroskopie * metody MeSH
- Staphylococcus aureus MeSH
- zlato chemie MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- protilátky MeSH
- zlato MeSH
Conformational changes associated with ribosome function have been identified by X-ray crystallography and cryo-electron microscopy. These methods, however, inform poorly on timescales. Neutron scattering is well adapted for direct measurements of thermal molecular dynamics, the 'lubricant' for the conformational fluctuations required for biological activity. The method was applied to compare water dynamics and conformational fluctuations in the 30 S and 50 S ribosomal subunits from Haloarcula marismortui, under high salt, stable conditions. Similar free and hydration water diffusion parameters are found for both subunits. With respect to the 50 S subunit, the 30 S is characterized by a softer force constant and larger mean square displacements (MSD), which would facilitate conformational adjustments required for messenger and transfer RNA binding. It has been shown previously that systems from mesophiles and extremophiles are adapted to have similar MSD under their respective physiological conditions. This suggests that the results presented are not specific to halophiles in high salt but a general property of ribosome dynamics under corresponding, active conditions. The current study opens new perspectives for neutron scattering characterization of component functional molecular dynamics within the ribosome.
- MeSH
- archeální RNA chemie MeSH
- Haloarcula marismortui chemie MeSH
- malé podjednotky ribozomu archebakteriální chemie MeSH
- messenger RNA chemie MeSH
- neutronová difrakce MeSH
- simulace molekulární dynamiky * MeSH
- velké podjednotky ribozomu archebakteriální chemie MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- archeální RNA MeSH
- messenger RNA MeSH
Anomalous X-ray diffraction (AXRD) is a technique which makes use of effects occurring near the energy of an absorption edge of an element present in the studied sample. The intensity of the diffracted radiation exhibits an anomalous decrease when the primary beam energy matches the energy needed to excite an electron from an atomic orbital. The characteristics of this step are sensitive to the concentration of the `anomalous' element and its spatial distribution in the sample. In the present investigation, AXRD was employed to study ω particles in a metastable β titanium alloy Ti-15Mo (in wt%). The experiments were done in an energy range around the Mo K edge at 20.0 keV, allowing investigation of the distribution of Mo in the material, which is rejected from the volume of ω particles during their diffusion-driven growth. This paper deals with diffuse scattering patterns around the (006)β diffraction maximum. It was observed that different regions of the diffuse scattering exhibited different variations of diffracted intensity with the incident photon energy near the absorption edge. Numerical simulations of diffuse scattering patterns as well as of energy dependences of the scattered intensity were performed. It was found that the observed patterns and their dependence on the primary beam energy can be explained by taking into account (a) elastic deformation of the β matrix arising from the presence of slightly misfitting ω particles and (b) the presence of a `cloud' of a higher Mo concentration around ω particles.
- Klíčová slova
- anomalous X-ray diffraction, diffuse scattering, metastable β-Ti alloys, ω phase,
- Publikační typ
- časopisecké články MeSH
Investigating the electrical double layer (EDL) structure has been a long-standing challenge and has seen the emergence of several sophisticated techniques able to probe selectively the few molecular layers of a solid/water interface. While a qualitative estimation of the thickness of the EDL can be obtained using simple theoretical models, following experimentally its evolution is not straightforward and can be even more complicated in nano- or microscale systems, particularly when changing the ionic concentration by several orders of magnitude. Here, we bring insight into the structure of the EDL of SiO2 nanoparticle suspensions and its evolution with increasing ionic concentration using angle-resolved second harmonic scattering (AR-SHS). Below millimolar salt concentrations, we can successively characterize inner-sphere adsorption, diffuse layer formation, and outer-sphere adsorption. Moreover, we show for the first time that, by appropriately selecting the nanoparticle size, it is possible to retrieve information also in the millimolar range. There, we observe a decrease in the magnitude of the surface potential corresponding to a compression in the EDL thickness, which agrees with the results of several other electroanalytical and optical techniques. Molecular dynamics simulations suggest that the EDL compression mainly results from the diffuse layer compression rather than outer-sphere ions (Stern plane) moving closer to the surface.
- Publikační typ
- časopisecké články MeSH
The ferroelectric phase transition in a semiconductor Sn(2)P(2)S(6) single crystal has been studied by means of high-resolution synchrotron x-ray diffraction in the pressure-temperature range where an incommensurate modulated phase has been anticipated for many years. In contrast with the predictions, the present measurements reveal only a direct ferroelectric-paraelectric phase transition close to T = 100 K, p = 1.1 GPa. In the vicinity of this phase transition, a characteristic critical diffuse scattering was observed, but no satellite peaks could be resolved there. It is concluded that the earlier hypothesis about the presence of an incommensurate phase and associated Lifshitz point in the temperature-pressure phase diagram of Sn(2)P(2)S(6) is incorrect.
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
