Reconstruction of water ice: the neglected process OH + OH → H2O + O

Producción CientíficaContext. Although H2O is the most important molecular material found in the solid state in the interstellar medium, the chemical routes leading to ice through surface reactions are still a matter of discussion. Three reaction pathways proposed in the past are at the heart of current research: hydrogenation of atomic oxygen, molecular oxygen, and ozone. The reaction network finally leads to a small number of processes giving H2O: H + OH, H2 + OH, and H + H2O2. To these processes, OH + OH should be added. It is known to be efficient in atmospheric chemistry and takes the irradiations of the interstellar grains into account that, directly or indirectly, create a number of OH radicals on and in the icy mantles. Aims. We study the role of the existing ice in its own reconstruction after it is destroyed by the constant irradiation of interstellar grains and focus on the OH + OH reaction in the triplet state. Methods. We used numerical simulations with a high level of coupled cluster ab initio calculations for small water aggregates and methods relevant to density functional theory for extended systems, including a periodic description in the case of solid water of infinite dimensions. Results. OH + OH → H2O + O reaction profiles are reported that take the involvement of an increasing number of H2O support molecules into account. It is found that the top of the barrier opposing the reaction gradually decreases with the number of supporting H2O and falls below the level of the reactants for H2O layers or solid water. Conclusions. In contrast to the gas phase, the reaction is barrierless on water ice. By adding a reconstructed H2O molecule and a free oxygen atom at the surface of the remaining ice, this reaction leaves open the possibility of the ice reconstruction

A Full-Potential-Linearized-Augmented-Plane-Wave Electronic Structure Study of delta-Plutonium and the (001) Surface

The electronic and geometric properties of bulk fcc delta-plutonium and the quantum size effects in the surface energies and the work functions of the (001) ultra thin films (UTF) up to 7 layers have been investigated with periodic density functional theory calculations within the full-potential linearized augmented-plane wave (FP-LAPW) approach as implemented in the WIEN2k package. Our calculated equilibrium atomic volume of 178.3 a.u.^3 and bulk modulus of 24.9 GPa at the fully relativistic level of theory, i.e. spin-polarization and spin-orbit coupling included, are in good agreement with the experimental values of 168.2 a.u.^3 and 25 GPa (593 K), respectively. The calculated equilibrium lattice constants at different levels of approximation are used in the surface properties calculations for the thin films. The surface energy is found to be rapidly converged with the semi-infinite surface energy predicted to be 0.692eV at the fully-relativistic level.Comment: 27 pages,8 figure

Flexible In-Ga-Zn-O based circuits with two and three metal layers: simulation and fabrication study

The quest for high-performance flexible circuits call for scaling of the minimum feature size in Thin-Film Transistors (TFTs). Although reduced channel lengths can guarantee an improvement in the electrical properties of the devices, proper design rules also play a crucial role to minimize parasitics when designing fast circuits. In this letter, systematic Computer-Aided Design (CAD) simulations have guided the fabrication of highperformance flexible operational amplifiers (opamps) and logic circuits based on Indium-Gallium-Zinc-Oxide (IGZO) TFTs. In particular, the performance improvements due to the use of an additional third metal layer for the interconnections has been estimated for the first time. Encouraged by the simulated enhancements resulting by the decreased parasitic resistances and capacitances, both TFTs and circuits have been realized on a free-standing 50μm thick polymide foil using three metal layers. Despite the thicker layer stack, the TFTs have shown mechanical stability down to 5mm bending radii. Moreover, the opamps and the logic circuits have yielded improved electrical performance with respect to the architecture with two metal layers: gainbandwidth- product (GBWP) increased by 16:9%, for the first one, and propagation delay (tpd) decreased by 43%, for the latter one

MicroRNAs in Renal Cell Carcinoma: Diagnostic Implications of Serum miR-1233 Levels

BACKGROUND: MicroRNA expression is altered in cancer cells, and microRNAs could serve as diagnostic/prognostic biomarker for cancer patients. Our study was designed to analyze circulating serum microRNAs in patients with renal cell carcinoma (RCC). METHODOLOGY/PRINCIPAL FINDINGS: We first explored microrna expression profiles in tissue and serum using taqman low density arrays in each six malignant and benign samples: Although 109 microRNAs were circulating at higher levels in cancer patients' serum, we identified only 36 microRNAs with up-regulation in RCC tissue and serum of RCC patients. Seven candidate microRNAs were selected for verification based on the finding of up-regulation in serum and tissue of RCC patients: miR-7-1*, miR-93, miR-106b*, miR-210, miR-320b, miR-1233 and miR-1290 levels in serum of healthy controls (n = 30) and RCC (n = 33) patients were determined using quantitative real-time PCR (TaqMan MicroRNA Assays). miR-1233 was increased in RCC patients, and thus validated in a multicentre cohort of 84 RCC patients and 93 healthy controls using quantitative real-time PCR (sensitivity 77.4%, specificity 37.6%, AUC 0.588). We also studied 13 samples of patients with angiomyolipoma or oncocytoma, whose serum miR-1233 levels were similar to RCC patients. Circulating microRNAs were not correlated with clinical-pathological parameters. CONCLUSIONS/SIGNIFICANCE: MicroRNA levels are distinctly increased in cancer patients, although only a small subset of circulating microRNAs has a tumor-specific origin. We identify circulating miR-1233 as a potential biomarker for RCC patients. Larger-scaled studies are warranted to fully explore the role of circulating microRNAs in RCC

Radio frequency electronics on plastic

In this paper the recent progress of active high frequency electronics on plastic is discussed. This technology is mechanically flexible, bendable, stretchable and does not need any rigid chips. Indium Gallium Zinc Oxide (IGZO) technology is applied. At 2 V supply and gate length of 0.5 μm, the thin-film transistors (TFTs) yield a measured transit frequency of 138 MHz. Our scalable TFT compact simulation model shows good agreement with measurements. To achieve a sufficiently high yield, TFTs with gate lengths of around 5 μm are used for the circuit design. A Cherry Hopper amplifier with 3.5 MHz bandwidth, 10 dB gain and 5 mW dc power is presented. The fully integrated receiver covering a plastic foil area of 3 × 9 mm2 includes a four stage cascode amplifier, an amplitude detector, a baseband amplifier and a filter. At a dc current of 7.2 mA and a supply of 5 V, a bandwidth of 2 - 20 MHz and a gain beyond 15 dB were measured. Finally, an outlook regarding future advancements of high frequency electronics on plastic is given

Reverse dark current in organic photodetectors and the major role of traps as source of noise

Organic photodetectors have promising applications in low-cost imaging, health monitoring and near-infrared sensing. Recent research on organic photodetectors based on donor–acceptor systems has resulted in narrow-band, flexible and biocompatible devices, of which the best reach external photovoltaic quantum efficiencies approaching 100%. However, the high noise spectral density of these devices limits their specific detectivity to around 1013 Jones in the visible and several orders of magnitude lower in the near-infrared, severely reducing performance. Here, we show that the shot noise, proportional to the dark current, dominates the noise spectral density, demanding a comprehensive understanding of the dark current. We demonstrate that, in addition to the intrinsic saturation current generated via charge-transfer states, dark current contains a major contribution from trap-assisted generated charges and decreases systematically with decreasing concentration of traps. By modeling the dark current of several donor–acceptor systems, we reveal the interplay between traps and charge-transfer states as source of dark current and show that traps dominate the generation processes, thus being the main limiting factor of organic photodetectors detectivity

Chief Executive Officers’ Perceptions of Collective Organizational Engagement and Patient Experience in Acute Care Hospitals

The concept of employee engagement has garnered considerable attention in acute care hospitals because of the many positive benefits that research has found when clinicians are individually engaged. However, limited, if any, research has examined the effects of engaging all hospital employees (including housekeeping, cafeteria, and admissions staff) in a collective manner and how this may impact patient experience, an important measure of hospital performance. Therefore, this quantitative online survey-based study examines the association between 60 chief executive officers\u27 (CEOs\u27) perceptions of the collective organizational engagement (COE) of all hospital employees and patient experience. A summary measure of the US Hospital Consumer Assessment of Healthcare Providers and Systems survey scores was used to assess patient experience at each of the 60 hospitals represented in the study. A multiple linear regression model was tested using structural equation modeling. The findings of the research suggest that CEOs\u27 perceptions of COE explain a significant amount of variability in patient experience at acute care hospitals. Practical implications for CEOs and other hospital leaders are provided that discuss how COE can be used as an organizational capability to influence organizational performance

Studies of Vibrational Properties in Ga Stabilized d-Pu by Extended X-ray Absorption Fine Structure

Temperature dependent extended x-ray absorption fine structure (EXAFS) spectra were measured for a 3.3 at% Ga stabilized Pu alloy over the range T= 20 - 300 K at both the Ga K-edge and the Pu L_III-edge. The temperature dependence of the pair-distance distribution widths, \sigma(T) was accurately modeled using a correlated-Debye model for the lattice vibrational properties, suggesting Debye-like behavior in this material. We obtain pair- specific correlated-Debye temperatures, \Theta_cD, of 110.7 +/- 1.7 K and 202.6 +/- 3.7 K, for the Pu-Pu and Ga-Pu pairs, respectively. These results represent the first unambiguous determination of Ga-specific vibrational properties in PuGa alloys, and indicate the Ga-Pu bonds are significantly stronger than the Pu-Pu bonds. This effect has important implications for lattice stabilization mechanisms in these alloys.Comment: 7 pages, 4 figures, Phys. Rev. B in pres