Optical properties of suspensions of gold half-shells

Suspensions of mesoscale gold half-shells of controlled size were produced by microsphere-templated vapour deposition and their optical properties were studied. The transmission spectra of the particles exhibited an extinction peak that could be tuned from 530 to over 2000 nm by variation of the diameter of the template used. In this respect the optical properties of these reduced-symmetry particles are similar to those of full nanoshells, however they may be more convenient to prepare. © 2007 Elsevier B.V. All rights reserved

Effect of isospin dependent cross-section on fragment production in the collision of charge asymmetric nuclei

To understand the role of isospin effects on fragmentation due to the collisions of charge asymmetric nuclei, we have performed a complete systematical study using isospin dependent quantum molecular dynamics model. Here simulations have been carried out for $^{124}X_{n}+ ^{124}X_{n}$, where n varies from 47 to 59 and for $^{40}Y_{m}+ ^{40}Y_{m}$, where m varies from 14 to 23. Our study shows that isospin dependent cross-section shows its influence on fragmentation in the collision of neutron rich nuclei

Collisions of low-energy antiprotons with molecular hydrogen: ionization, excitation and stopping power

A time-dependent coupled-channel approach was used to calculate ionization, excitation, and energy-loss cross sections as well as energy spectra for antiproton and proton collisions with molecular hydrogen for impact energies 8 keV < E < 4000 keV.Comment: 4 pages, 4 figures, conference LEAP0

Electron tunneling through alkanedithiol molecules

We report on first principles calculations of the tunneling current across n-alkanedithiol molecules (n = 4,6,8,10,12) sandwiched between two Au {111} electrodes. The conductance drops exponentially with increased chain length with decay parameter βn= 0.9. The results are compared with scanning tunneling microscopy measurements on decanedithiol and with other n-alkanedithiol (n = 6,8,10) results in the literature. The theoretical results are found to be an order of magnitude larger than experimental values but follow the same trend. However, two additional, more realistic, geometries are modeled by changing the bond type and by combining the first-principles results with a Wentzel-Kramer-Brillouin (WKB) expression for tunneling across the air gap that is invariably present during scanning tunneling microscopy (STM) measurements. These results are more compatible with the experimental data

Modelling and verification of the electrical properties of organic dielectric monolayers in capacitive configurations

The possible role of self-assembled monolayers (SAMs) as the dielectric component of nanoscale capacitors is considered. SAMs of two rather different molecules, α,α-p-xylyldithiol ('XYL') and dodecanedithiol ('C12') were produced on a gold {111} substrate, and characterized with respect to their conductivity. The data were fitted with a double tunnel barrier model, in which the two SAMs are primarily differentiated by barrier height and thickness with that of XYL having a thickness of 1.0 nm and a barrier height of 0.78 eV compared to 1.69 nm and 1.39 eV for C12. The remaining parameters of the model were determined by Monte Carlo optimization. Assuming perfect connection of top and bottom electrodes, the leakage current through the XYL at 1 volt is calculated to be 1.4×105 A/cm2, compared to 2.7×104 A/cm2 through C12. These values are not as low as can be obtained with SiO2 of the same thickness. However, SAMs are readily and precisely produced by simple, low temperature processes, a factor which may allow them a niche in the future

Modulation of the epithelial sodium channel (ENaC) by bacterial metalloproteases and protease inhibitors

The serralysin family of metalloproteases is associated with the virulence of multiple gram-negative human pathogens, including Pseudomonas aeruginosa and Serratia marcescens. The serralysin proteases share highly conserved catalytic domains and show evolutionary similarity to the mammalian matrix metalloproteases. Our previous studies demonstrated that alkaline protease (AP) from Pseudomonas aeruginosa is capable of activating the epithelial sodium channel (ENaC), leading to an increase in sodium absorption in airway epithelia. The serralysin proteases are often co-expressed with endogenous, intracellular or periplasmic inhibitors, which putatively protect the bacterium from unwanted or unregulated protease activities. To evaluate the potential use of these small protein inhibitors in regulating the serralysin induced activation of ENaC, proteases from Pseudomonas aeruginosa and Serratia marcescens were purified for characterization along with a high affinity inhibitor from Pseudomonas. Both proteases showed activity against in vitro substrates and could be blocked by near stoichiometric concentrations of the inhibitor. In addition, both proteases were capable of activating ENaC when added to the apical surfaces of multiple epithelial cells with similar slow activation kinetics. The high-affinity periplasmic inhibitor from Pseudomonas effectively blocked this activation. These data suggest that multiple metalloproteases are capable of activating ENaC. Further, the endogenous, periplasmic bacterial inhibitors may be useful for modulating the downstream effects of the serralysin virulence factors under physiological conditions. © 2014 Butterworth et al

Formation and structure of V-Zr amorphous alloy thin films

© 2014 Published by Elsevier Ltd. on behalf of Acta Materialia Inc. All rights reserved. Although the equilibrium phase diagram predicts that alloys in the central part of the V-Zr system should consist of V2Zr Laves phase with partial segregation of one element, it is known that under non-equilibrium conditions these materials can form amorphous structures. Here we examine the structures and stabilities of thin film V-Zr alloys deposited at room temperature by magnetron sputtering. The films were characterized by X-ray diffraction, transmission electron microscopy and computational methods. Atomic-scale modelling was used to investigate the enthalpies of formation of the various competing structures. The calculations confirmed that an amorphous solid solution would be significantly more stable than a random body-centred solid solution of the elements, in agreement with the experimental results. In addition, the modelling effort provided insight into the probable atomic configurations of the amorphous structures allowing predictions of the average distance to the first and second nearest neighbours in the system

On the treatment of solid boundary in smoothed particle hydrodynamics

As a popular meshfree particle method, the smoothed particle hydrodynamics (SPH) has suffered from not being able to directly implement the solid boundary conditions. This influences the SPH approximation accuracy and hinders its further development and application to engineering and scientific problems. In this paper, a coupled dynamic solid boundary treatment (SBT) algorithm has been proposed, after investigating the features of existing SPH SBT algorithms. The novelty of the coupled dynamic SBT algorithm includes a new repulsive force between approaching fluid and solid particles, and a new numerical approximation scheme for estimating field functions of virtual solid particles. The new SBT algorithm has been examined with three numerical examples including a typical dam-break flow, a dam-break flow with a sharp-edged obstacle, and a water entry problem. It is demonstrated that SPH with this coupled dynamic boundary algorithm can lead to accurate results with smooth pressure field, and that the new SBT algorithm is also suitable for complex and even moving solid boundaries.</div

Quantitative Proteomic Profiling of Small Molecule Treated Mesenchymal Stem Cells Using Chemical Probes.

The differentiation of human adipose derived stem cells toward a neural phenotype by small molecules has been a vogue topic in the last decade. The characterization of the produced cells has been explored on a broad scale, examining morphological and specific surface protein markers; however, the lack of insight into the expression of functional proteins and their interactive partners is required to further understand the extent of the process. The phenotypic characterization by proteomic profiling allows for a substantial in-depth analysis of the molecular machinery induced and directing the cellular changes through the process. Herein we describe the temporal analysis and quantitative profiling of neural differentiating human adipose-derived stem cells after sub-proteome enrichment using a bisindolylmaleimide chemical probe. The results show that proteins enriched by the Bis-probe were identified reproducibly with 133, 118, 126 and 89 proteins identified at timepoints 0, 1, 6 and 12, respectively. Each temporal timepoint presented several shared and unique proteins relative to neural differentiation and their interactivity. The major protein classes enriched and quantified were enzymes, structural and ribosomal proteins that are integral to differentiation pathways. There were 42 uniquely identified enzymes identified in the cells, many acting as hubs in the networks with several interactions across the network modulating key biological pathways. From the cohort, it was found by gene ontology analysis that 18 enzymes had direct involvement with neurogenic differentiation

Karhunen-Lo\`eve expansion for a generalization of Wiener bridge

We derive a Karhunen-Lo\`eve expansion of the Gauss process $B_t - g(t)\int_0^1 g'(u)\,d B_u$, $t\in[0,1]$, where $(B_t)_{t\in[0,1]}$ is a standard Wiener process and $g:[0,1]\to R$ is a twice continuously differentiable function with $g(0) = 0$ and $\int_0^1 (g'(u))^2\,d u =1$. This process is an important limit process in the theory of goodness-of-fit tests. We formulate two special cases with the function $g(t)=\frac{\sqrt{2}}{\pi}\sin(\pi t)$, $t\in[0,1]$, and $g(t)=t$, $t\in[0,1]$, respectively. The latter one corresponds to the Wiener bridge over $[0,1]$ from $0$ to $0$.Comment: 25 pages, 1 figure. The appendix is extende