Dynamics and self-assembly of bio-functionalized gold nanoparticles in solution: Reactive molecular dynamics simulations

The self-assembling properties, stability, and dynamics of hybrid nanocarriers (gold nanoparticles (AuNPs) functionalized with cysteine-based peptides) in solution are studied through a series of classical molecular dynamics simulations based on a recently parametrized reactive force field. The results reveal, at the atomic level, all the details regarding the peptide adsorption mechanisms, nanoparticle stabilization, aggregation, and sintering. The data confirm and explain the experimental findings and disclose aspects that cannot be scrutinized by experiments. The biomolecules are both chemisorbed and physisorbed; self-interactions of the adsorbates and formation of stable networks of interconnected molecules on the AuNP surfaces limit substrate reconstructions, protect the AuNPs from the action of the solvent, and prevent direct interactions of the gold surfaces. The possibility of agglomeration of the functionalized nanoparticles, compared with the sintering of the bare supports in a water solution, is demonstrated through relatively long simulations and fast steered dynamics. The analysis of the trajectories reveals that the AuNPs were well stabilized by the peptides. This prevented particle sintering and kept the particles far apart; however, part of their chains could form interconnections (crosslinks) between neighboring gold vehicles. The excellent agreement of these results with the literature confirm the reliability of the method and its potential application to the modeling of more complex materials relevant to the biomedical sector.

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Using Selective Electron Beam Melting to Enhance the High-Temperature Strength and Creep Resistance of NiAl–28Cr–6Mo In Situ Composites

By increasing the density of interfaces in NiAl–CrMo in situ composites, the mechanical properties can be significantly improved compared to conventionally cast material. The refined microstructure is achieved by manufacturing through electron beam powder bed fusion (PBF-EB). By varying the process parameters, an equiaxed or columnar cell morphology can be obtained, exhibiting a plate-like or an interconnected network of the (Cr,Mo) reinforcement phase which is embedded in a NiAl matrix. The microstructure of the different cell morphologies is investigated in detail using scanning electron microscope, transmission electron microscopy, and atom probe tomography. For both morphologies, the mechanical properties at elevated temperatures are analyzed by compression and creep experiments parallel and perpendicular to the building direction. In comparison to cast NiAl and NiAl–(Cr, Mo), the yield strength of the PBF-EB fabricated specimens is significantly improved at temperatures up to 1,027 °C. While the columnar morphology exhibits the best improved mechanical properties at high temperatures, the equiaxial morphology shows nearly ideal isotropic mechanical behavior, which is a substantial advantage over directionally solidified material.     

A Hemispherical Image Sensor Array Fabricated with Organic Photomemory Transistors

Hemispherical image sensors simplify lens designs, reduce optical aberrations, and improve image resolution for compact wide-field-of-view cameras. To achieve hemispherical image sensors, organic materials are promising candidates due to the following advantages: tunability of optoelectronic/spectral response and low-temperature low-cost processes. Here, a photolithographic process is developed to prepare a hemispherical image sensor array using organic thin film photomemory transistors with a density of 308 pixels per square centimeter. This design includes only one photomemory transistor as a single active pixel, in contrast to the conventional pixel architecture, consisting of select/readout/reset transistors and a photodiode. The organic photomemory transistor, comprising light-sensitive organic semiconductor and charge-trapping dielectric, is able to achieve a linear photoresponse (light intensity range, from 1 to 50 W m⁻²), along with a responsivity as high as 1.6 A W⁻¹ (wavelength = 465 nm) for a dark current of 0.24 A m⁻² (drain voltage = −1.5 V). These observed values represent the best responsivity for similar dark currents among all the reported hemispherical image sensor arrays to date. A transfer method was further developed that does not damage organic materials for hemispherical organic photomemory transistor arrays. These developed techniques are scalable and are amenable for other high-resolution 3D organic semiconductor devices.     

The solid-state rearrangement of the Wells-Dawson K6P2W18O62·10H2O to a stable Keggin-type heteropolyanion phase: a catalyst for the selective oxidation of isobutane to isobutene

The thermal and structural stability of the Wells-Dawson-type heteropoly compound K₆P₂W₁₈O₆₂·10H₂O was examined by FT-IR spectroscopy, X-ray powder diffraction, thermogravimetric analysis and HRTEM. It was found that calcination at temperatures higher than 850 K led to the formation of a Keggin-type compound K₃PW₁₂O₄₀, containing small amounts of an additional phase originated from the high-temperature interaction between potassium phosphate (K₃PO₄ formed during the decomposition of the K₆P₂W₁₈O₆₂·10H₂O) and the Keggin-type compound itself. The Keggin-type product showed a higher activity in the selective oxidative dehydrogenation of isobutane to isobutene compared to both the Wells-Dawson precursor and to pure, authentic K₃PW₁₂O₄₀. This higher activity can be tentatively attributed to the presence of an amorphous layer of unknown stoichiometry at the surface of the thermally rearranged Wells-Dawson compound.     

Problematic Demography: Representations of Population Ageing in the Swedish Daily Press

The ageing of populations has been a topic of discussion during the last few decades, but how is this subject represented in the media, and what images of old age are produced? In this article we present the results of a quantitative content analysis that investigates how the concept of population ageing has been represented in Swedish local and national daily news press between 1988 and 2009, and the old age positions that are offered in these representations. We also use discourse analysis in order to qualitatively examine the ways in which the concept of population ageing is articulated in these news press articles and the old age positions that are thereby constituted. The results show that the concept is constituted as a naturalised expert concept, and is primarily used in order to contextualise articles about future political and economical difficulties or even crises. By articulating population ageing with both political policies, political economy and older people??s (as a group) reported need for care and services, population ageing was constituted as a political economic concern rather than a problem for the aged individual.     

Shifts in sensory dominance between various stages of user-product interactions

In the area of product design, sensory dominance can be defined as the relative importance of different sensory modalities for product experience. It is often assumed that vision dominates the other senses. In the present study, we asked 243 participants to describe their experiences with consumer products in various situations: while buying a product, after the first week, the first month, and the first year of usage. The data suggest that the dominant sensory modality depends on the period of product usage. At the moment of buying, vision is the most important modality, but during the usage the other sensory modalities gain importance. The roles of the different modalities during usage are product-dependent. Averaged over 93 products analyzed in this study, after one month of usage touch becomes more important than vision, and after one year vision, touch and audition appear to be equally important. We conclude that to create a long-lasting positive product experience, designers need to consider user-product interaction at different stages of product usage and to determine which sensory modality dominates product experience at each stage.     

Privacy policies for shared content in social network sites

Social networking is one of the major technological phenomena of the Web 2.0, with hundreds of millions of subscribed users. Social networks enable a form of self-expression for users and help them to socialize and share content with other users. In spite of the fact that content sharing represents one of the prominent features of existing Social network sites, they do not provide any mechanisms for collective management of privacy settings for shared content. In this paper, using game theory, we model the problem of collective enforcement of privacy policies on shared data. In particular, we propose a solution that offers automated ways to share images based on an extended notion of content ownership. Building upon the Clarke-Tax mechanism, we describe a simple mechanism that promotes truthfulness and that rewards users who promote co-ownership. Our approach enables social network users to compose friendship based policies based on distances from an agreed upon central user selected using several social networks metrics. We integrate our design with inference techniques that free the users from the burden of manually selecting privacy preferences for each picture. To the best of our knowledge, this is the first time such a privacy protection mechanism for social networking has been proposed. We also extend our mechanism so as to support collective enforcement across multiple social network sites. In the paper, we also show a proof-of-concept application, which we implemented in the context of Facebook, one of today’s most popular social networks. Through our implementation, we show the feasibility of such approach and show that it can be implemented with a minimal increase in overhead to end-users. We complete our analysis by conducting a user study to investigate users’ understanding of co-ownership, usefulness and understanding of our approach. Users responded favorably to the approach, indicating a general understanding of co-ownership and the auction, and found the approach to be both useful and fair.     

Gremlin: an interactive visualization model for analyzing genomic rearrangements

In this work we present, apply, and evaluate a novel, interactive visualization model for comparative analysis of structural variants and rearrangements in human and cancer genomes, with emphasis on data integration and uncertainty visualization. To support both global trend analysis and local feature detection, this model enables explorations continuously scaled from the high-level, complete genome perspective, down to the low-level, structural rearrangement view, while preserving global context at all times. We have implemented these techniques in Gremlin, a genomic rearrangement explorer with multi-scale, linked interactions, which we apply to four human cancer genome data sets for evaluation. Using an insight-based evaluation methodology, we compare Gremlin to Circos, the state-of-the-art in genomic rearrangement visualization, through a small user study with computational biologists working in rearrangement analysis. Results from user study evaluations demonstrate that this visualization model enables more total insights, more insights per minute, and more complex insights than the current state-of-the-art for visual analysis and exploration of genome rearrangements.