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Self-Assembly of Temperature Sensitive Unilamellar Vesicles by a Blend of Block Copolymers in Aqueous Solution
A self-assembled unilamellar vesicle, which can be used as a drug delivery system, was easily and simply fabricated using a blended system of Pluronic block copolymers. Controlling the hydrophilic mass fraction of block copolymers (by blending the block copolymer with a different hydrophilic mass fraction) and temperature (i.e., the hydrophobic interaction is controlled), a vesicular structure was formed. Small angle neutron scattering measurements showed that the vesicular structure had diameters of empty cores from 13.6 nm to 79.6 nm, and thicknesses of the bilayers from 2.2 nm to 8.7 nm when the hydrophobic interaction was changed. Therefore, considering that the temperature of the vesicle formation is controllable by the concentration of the blended block copolymers, it is possible for them to be applied in a wide range of potential applications, for example, as nanoreactors and nanovehicles.
Structure of Asphaltenes during Precipitation Investigated by Ultra-Small-Angle X-ray Scattering
Time-resolved size and structure measurements of asphaltenes while in the process of precipitating were monitored for the first time using ultra-small-angle X-ray scattering. The results revealed that asphaltenes precipitating from a heptane–toluene mixture demonstrate a hierarchical structure of an asphaltene-rich phase (e.g., droplet) that further agglomerates into fractal flocs. The fractal flocs that form by the agglomeration of the asphaltene-rich phase are what is commonly detected by optical microscopy above the precipitation detection point. The surface of the asphaltene-rich phase is initially rough and transitions to a smooth interface, as would be expected for a highly viscous liquid. Simultaneous small-angle X-ray scattering measurements were also performed to investigate the structure of soluble asphaltenes, providing comprehensive structural characterization from the nanometer- to micrometer-length scales as a function of time. Further, the results demonstrate that the size and concentration of asphaltenes remaining in solution (e.g., soluble asphaltenes) do not change during precipitation, whereas the structure of insoluble asphaltenes varies. The ability to measure the properties of asphaltenes as they undergo precipitation opens new opportunities for understanding the fundamental mechanisms of asphaltene deposition and aggregation and the impact of chemical inhibitors to alter these processes. Here, the universality of these conclusions and how specific properties vary as a function of asphaltene source and solution properties can provide valuable insight into asphaltene behavior.
Oxygen point defect accumulation in single-phase U O 2 + x
UO 2.07 was characterized using neutron total scattering in order to elucidate defect morphology in the low oxygen-to-metal regime (x < 0.125 for UO 2+x ). Data were collected at temperatures (600 and 1000 °C) coinciding with the single-phase UO 2+x region of the established phase diagram, and results were compared with data of stoichiometric UO 2 collected at near-identical temperatures. Experimental data were modeled and interpreted using a holistic approach employing a combination of analyses that characterized multiple spatial length scales. Preferential modeling of long-range atomic arrangements with Rietveld refinement suggests the existence of primarily monointerstitials in UO 2.07 , whereas preferential modeling of short-range atomic structures with small-box pair distribution function (PDF) refinement indicates the presence of defect clusters in UO 2.07 . Simultaneous modeling of multiple length scales using complementary reverse Monte Carlo (RMC) and molecular dynamics (MD) methods confirms that excess oxygen atoms in UO 2.07 exist as small defects, such as monointerstitials and di-interstitials. RMC and MD results agree with diffraction analysis but differ significantly from small-box PDF refinements, which may be related to a lack of intermediate- and long-range structural information gained from the small-box PDF refinement procedure. Employing a combination of analysis methods with varying length-scale sensitivities enabled more accurate assessment of the UO 2+x defect structure. Furthermore, our findings provide experimental support for previously predicted di-interstitial defect morphologies in UO 2+x that highly influence the accurate prediction of bulk physiochemical properties of UO 2+x , such as oxygen diffusivity.
Alternative Technology for Creating Nanostructures Using Dip Pen Nanolithography
For modern microelectronics, at the present time, the technologies of consciousness smart structures play an important role, which can provide accuracy, stability and high quality of the structures. Submicron lithography methods are quite expensive and have natural size limitations, not allowing the production of structures with an extremely small lateral limitation. Therefore, an intensive search was conducted for alternative methods for creating submicron resolution structures. Especially attractive one is the possibility of self-organization effects utilization, where the nanostructure of a certain size is formed under the influence of internal forces. The dip pen nanolithography method based on a scanning probe microscope uses a directwrite technology and allows one to carry out a playback of small size structures with high accuracy. In the experiment, a substrate coated with Au (15 nm) using a DPN technique is applied to the polymer to form a desired pattern nano-sized channel. The experiment was conducted using a pointed probe SiN, coated MHA-Acetonitrile, on the Si(111)/Fe{sub 3}Si/Au structure.
THE FORMATION AND ERUPTION OF A SMALL CIRCULAR FILAMENT DRIVEN BY ROTATING MAGNETIC STRUCTURES IN THE QUIET SUN
We present the first observation of the formation and eruption of a small circular filament driven by a rotating network magnetic field (RNF) in the quiet Sun. In the negative footpoint region of an inverse J-shaped dextral filament, the RNF was formed by the convergence to supergranular junctions of several magnetic flux patches of the same polarity, and it then rotated counterclockwise (CCW) for approximately 11 hr and showed up as a CCW rotating EUV cyclone, during which time the filament gradually evolved into a circular filament that surrounded the cyclone. When the calculated convergence and vortex flows appeared around the RNF during its formation and rotation phases, the injected magnetic helicity calculation also showed negative helicity accumulation during the RNF rotation that was consistent with the dextral chirality of the filament. Finally, the RNF rotation stopped and the cyclone disappeared, and, probably due to an emerging bipole and its forced cancellation with the RNF, the closure filament underwent an eruption along its axis in the (clockwise) direction opposite to the rotation directions of the RNF and cyclone. These observations suggest that the RNFs might play an important role in the formation of nearby small-scale circular filaments as they transport and inject magnetic energy and helicity, and the formation of the EUV cyclones may be a further manifestation of the helicity injected into the corona by the rotation of the RNFs in the photosphere. In addition, the new emerging bipole observed before the filament eruption might be responsible for destabilizing the system and triggering the magnetic reconnection which proves useful for the filament eruption.
Structural characterization and gas reactions of small metal particles by high-resolution TEM and TED
The interaction of 100 and 200 keV electron beams with amorphous alumina, titania, and aluminum nitride substrates and nanometer-size palladium particulate deposits was investigated for the two extreme cases of (1) large-area electron-beam flash-heating and (2) small-area high-intensity electron-beam irradiation. The former simulates a short-term heating effect with minimum electron irradiation exposure, the latter simulates high-dosage irradiation with minimum heating effect. All alumina and titania samples responded to the flash-heating treatment with significant recrystallization. However, the size, crystal structure, shape, and orientation of the grains depended on the type and thickness of the films and the thickness of the Pd deposit. High-dosage electron irradiation also readily crystallized the alumina substrate films but did not affect the titania films. The alumina recrystallization products were usually either all in the alpha phase, or they were a mixture of small grains in a number of low-temperature phases including gamma, delta, kappa, beta, theta-alumina. Palladium deposits reacted heavily with the alumina substrates during either treatment, but they were very little effected when supported on titania. Both treatments had the same, less prominent localized crystallization effect on aluminum nitride films.
Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity
The role of internal dynamics in enzyme function is highly debated. Specifically, how small changes in structure far away from the reaction site alter protein dynamics and overall enzyme mechanisms is of wide interest in protein engineering. Using RNase A as a model, we demonstrate that elimination of a single methyl group located >10 Å away from the reaction site significantly alters conformational integrity and binding properties of the enzyme. This A109G mutation does not perturb structure or thermodynamic stability, both in the apo and ligand-bound states. However, significant enhancement in conformational dynamics was observed for the bound variant, as probed over nano- to millisecond timescales, resulting in major ligand repositioning. Furthermore, these results illustrate the large effects caused by small changes in structure on long-range conformational dynamics and ligand specificities within proteins, further supporting the importance of preserving wild-type dynamics in enzyme systems that rely on flexibility for function.
Recent Highlights in Ring Structure, Dynamics, and Composition
While the Cassini orbiter has been in a near-equatorial orbit for most of the time since the last DPS meeting, the science teams have turned to preliminary analysis of many aspects of data taken over the first year of the mission. New understanding has been gained of several different aspects of ring structure and dynamics - especially the small-scale ring vertical structure related to marginal gravitational instabilities, and the diverse roles played by small moonlets sprinkled around and within the rings. In addition, a closer look is being taken at how ring composition varies locally and regionally and how this variation compares with models of ring compositional evolution. Cassini will re-emerge from the equator plane in late July, and new ring observations will again be available. In this talk we will review progress over the last year, highlight key outstanding issues and problems, and provide a context for the new observations reported at this meeting.
Properties of localization in silicon-based lattice periodicity breaking photonic crystal waveguides
The light localization effects in silicon photonic crystal cavities at different disorder degrees have been studied using the finite difference time domain (FDTD) method in this paper. Numerical results showed that localization occurs and enhancement can be gained in the region of the cavity under certain conditions. The stabilities of the localization effects due to the structural perturbations have been investigated too. Detailed studies showed that when the degree of structural disorder is small(about 10%), the localization effects are stable, the maximum enhancement factor can reach 16.5 for incident wavelength of 785 nm and 23 for 850 nm in the cavity, with the degree of disorder about 8%. The equivalent diameter of the localized spot is almost constant at different disorder degrees, approximating to λ/7, which turned out to be independent on the structural perturbation.
CuS p-type thin film characterization deposited on Ti, ITO and glass substrates using spray pyrolysis deposition (SPD) for light emitting diode (LED) application
The copper sulphide (CuS) thin films were grown with good adhesion by spray pyrolysis deposition (SPD) on Ti, ITO and glass substrates at 200 °C. The distance between nozzle and substrate is 30 cm. The composition was prepared by mixing copper chloride CuCl{sub 2}.2H{sub 2}O as a source of Cu{sup 2+} and sodium thiosulfate Na{sub 2}S{sub 2}O{sub 3}.5H{sub 2}O as a source of and S{sup 2−}. Two concentrations (0.2 and 0.4 M) were used for each CuCl{sub 2} and Na{sub 2}S{sub 2}O{sub 3} to be prepared and then sprayed (20 ml). The process was started by spraying the solution for 3 seconds and after 10 seconds the cycle was repeated until the solution was sprayed completely on the hot substrates. The structural characteristics were studied using X-ray diffraction; they showed covellite CuS hexagonal crystal structure for 0.2 M concentration, and covellite CuS hexagonal crystal structure with two small peaks of chalcocite Cu{sub 2}S hexagonal crystal structure for 0.4 M concentration. Also the surface and electrical characteristics were investigated using Field Emission Scanning Electron Microscopy (FESEM) and current source device, respectively. The surface study for the CuS thin films showed nanorods to be established for 0.2 M concentration and mix of nanorods and nanoplates for 0.4 M concentration. The electrical study showed ohmic behavior and low resistivity for these films. Hall Effect was measured for these thin films, it showed that all samples of CuS are p- type thin films and ensured that the resistivity for thin films of 0.2 M concentration was lower than that of 0.4 M concentration; and for the two concentrations CuS thin film deposited on ITO had the lowest resistivity. This leads to the result that the conductivity was high for CuS thin film deposited on ITO substrate, and the conductivity of the three thin films of 0.2 M concentration was higher than that of 0.4 M concentration.
Three-cell traveling wave superconducting test structure
Use of a superconducting traveling wave accelerating (STWA) structure with a small phase advance per cell rather than a standing wave structure may provide a significant increase of the accelerating gradient in the ILC linac. For the same surface electric and magnetic fields the STWA achieves an accelerating gradient 1.2 larger than TESLA-like standing wave cavities. The STWA allows also longer acceleration cavities, reducing the number of gaps between them. However, the STWA structure requires a SC feedback waveguide to return the few hundreds of MW of circulating RF power from the structure output to the structure input. A test single-cell cavity with feedback was designed, manufactured and successfully tested demonstrating the possibility of a proper processing to achieve a high accelerating gradient. These results open way to take the next step of the TW SC cavity development: to build and test a travelingwave three-cell cavity with a feedback waveguide. The latest results of the single-cell cavity tests are discussed as well as the design of the test 3-cell TW cavity.
First High-gradient Tests of the Single-cell SC Cavity with the Feedback Waveguide
Use of a superconducting travelling wave accelerating (STWA) structure with a small phase advance per cell rather than a standing wave structure may provide a significant increase in the accelerating gradient in the ILC linac [1]. For the same surface electric and magnetic fields the STWA achieves an accelerating gradient 1.2 larger than TESLA-like standing wave cavities. In addition, the STWA allows longer acceleration cavities, reducing the number of gaps between them. However, the STWA structure requires a SC feedback waveguide to return the few hundreds of MW of circulating RF power from the structure output to the structure input. A test single-cell cavity with feedback was designed and manufactured to demonstrate the possibility of a proper processing to achieve a high accelerating gradient. The first results of high-gradient tests of a prototype 1.3 GHz single-cell cavity with feedback waveguide will be presented.
Structured water in polyelectrolyte dendrimers: Understanding small angle neutron scattering results through atomistic simulation
Based on atomistic molecular dynamics (MD) simulations, the small angle neutron scattering (SANS) intensity behavior of a single generation-4 (G4) polyelectrolyte polyamidoamine (PAMAM) starburst dendrimer is investigated at different levels of molecular protonation. The SANS form factor, P(Q), and Debye autocorrelation function, γ(r), are calculated from the equilibrium MD trajectory based on a mathematical approach proposed in this work which provides a link between the neutron scattering experiment and MD computation. The simulations enable scattering calculations of not only the hydrocarbons, but also the contribution to the scattering length density fluctuations caused by structured, confined water within the dendrimer. Based on our computational results, we question the validity of using radius of gyration RG for microstructure characterization of a polyelectrolyte dendrimer from the scattering perspective.
Scatter broadening of pulsars and implications on the interstellar medium turbulence
Observations reveal a uniform Kolmogorov turbulence throughout the diffuse ionized interstellar medium (ISM) and supersonic turbulence preferentially located in the Galactic plane. Correspondingly, we consider the Galactic distribution of electron density fluctuations consisting of not only a Kolmogorov density spectrum but also a short-wave-dominated density spectrum with the density structure formed at small scales due to shocks. The resulting dependence of the scatter broadening time on the dispersion measure (DM) naturally interprets the existing observational data for both low- and high-DM pulsars. According to the criteria that we derive for a quantitative determination of scattering regimes over wide ranges of DMs and frequencies ν, we find that the pulsars with low DMs are primarily scattered by the Kolmogorov turbulence, while those at low Galactic latitudes with high DMs undergo more enhanced scattering dominated by the supersonic turbulence, where the corresponding density spectrum has a spectral index of ≈2.6. Furthermore, by considering a volume filling factor of the density structures with the dependence on ν as ∝ν{sup 1.4} in the supersonic turbulence, our model can also explain the observed shallower ν scaling of the scattering time than the Kolmogorov scaling for the pulsars with relatively large DMs. The comparison between our analytical results and the scattering measurements of pulsars in turn makes a useful probe of the properties of the large-scale ISM turbulence, e.g., an injection scale of ∼100 pc, and also characteristics of small-scale density structures.
The roles of RIIbeta linker and N-terminal cyclic nucleotide-binding domain in determining the unique structures of Type IIbeta Protein Kinase A. A small angle X-ray and neutron scattering study
Protein kinase A (PKA) is ubiquitously expressed and is responsible for regulating many important cellular functions in response to changes in intracellular cAMP concentrations. Moreover, the PKA holoenzyme is a tetramer (R 2 :C 2 ), with a regulatory subunit homodimer (R 2 ) that binds and inhibits two catalytic (C) subunits; binding of cAMP to the regulatory subunit homodimer causes activation of the catalytic subunits. Four different R subunit isoforms exist in mammalian cells, and these confer different structural features, subcellular localization, and biochemical properties upon the PKA holoenzymes they form. The holoenzyme containing RIIβ is structurally unique in that the type IIβ holoenzyme is much more compact than the free RIIβ homodimer. We have used small angle x-ray scattering and small angle neutron scattering to study the solution structure and subunit organization of a holoenzyme containing an RIIβ C-terminal deletion mutant (RIIβ(1–280)), which is missing the C-terminal cAMP-binding domain to better understand the structural organization of the type IIβ holoenzyme and the RIIβ domains that contribute to stabilizing the holoenzyme conformation. These results demonstrate that compaction of the type IIβ holoenzyme does not require the C-terminal cAMP-binding domain but rather involves large structural rearrangements within the linker and N-terminal cyclic nucleotide-binding domain of the RIIβ homodimer. The structural rearrangements are significantly greater than seen previously with RIIα and are likely to be important in mediating short range and long range interdomain and intersubunit interactions that uniquely regulate the activity of the type IIβ isoform of PKA.
Theoretical research program to study transition metal trimers and embedded clusters
Small transition metal clusters were studied at a high level of approximation, including all the valence electrons in the calculation and extensive electron correlation, in order to understand the electronic structure of these small metal clusters. By comparison of dimers, trimers, and possibly higher clusters, the information obtained was used to provide insights into the electronic structure of bulk transition metals. Small metal clusters are currently of considerable experimental interest and some information is becomming available both from matrix electron spin resonance studies and from gas phase spectroscopy. Collaboration between theorists and experimentalists is thus expected to be especially profitable at this time since there is some experimental information which can serve to guide the theoretical work.
Structural characterization of high-protein system through ultra-small and small-angle X-ray scattering
High-protein systems exhibit a hierarchical structure consisting of interconnected multiscale length assemblies. Recent investigations are directed toward identifying these structural units under various processing and environmental conditions to establish structure–function correlations. Ultra-small and small-angle X-ray scattering (USAXS/SAXS) has become a crucial tool for characterizing the structures of proteins and their clusters/aggregates, ranging from nanometers to micrometers, with minimal disruption to their original state. Here, this review first describes the facilities and principles of X-ray scattering, followed by discussions on the analysis of scattering data, including the interpretation of fitting models. It then delves into the main applications of USAXS/SAXS in plant and dairy protein-rich systems. Future strategies to enhance the utilization of scattering techniques for elucidating the structure of high-protein systems are also included.