Oxygen-mediated electron transport through hybrid silicon-organic interfaces

We investigate from first principles the electronic and transport properties of hybrid organic/silicon interfaces of relevance to molecular electronics. We focus on conjugated molecules bonded to hydrogenated Si through hydroxyl or thiol groups. The electronic structure of the systems is addressed within density functional theory, and the electron transport across the interface is directly evaluated within the Landauer approach. The microscopic effects of molecule-substrate bonding on the transport efficiency are explicitly analyzed, and the oxygen-bonded interface is identified as a candidate system when preferential hole transfer is?needed.     

Molecular recognition of T:G mismatched base pairs in DNA as studied by electrospray ionization mass spectrometry

Postreplicative mismatch repair (MMR) is a cellular system involved in the recognition and correction of DNA polymerase errors that escape detection in proofreading. Of the various mismatched bases, T:G pairing in DNA is one of the more common mutations leading to the formation of tumors in humans. In addition, the absence of the MMR system can generate resistance to several chemotherapeutic agents, particularly DNA-damaging substances. The main purpose of this study was the setup and validation of an electrospray ionization (ESI) mass spectrometry method for the identification of small molecules that are able to recognize T:G mismatches in DNA targets. These findings could be useful for the discovery of new antitumor drugs. The analytical method is based on the ability of electrospray to preserve the noncovalent adducts present in solution and transfer them to the gas phase. Lexitropsin derivatives (polyimidazole compounds) have been previously described as selective for T:G mismatch binding by NMR and ITC studies. We synthesized and tested various polyimidazole derivatives, one of which in particular (NMS-057) showed a higher affinity for an oligonucleotide DNA sequence containing a T:G mismatched base pair. To rationalize these findings, molecular docking studies were performed using available NMR structures. Moreover, ESI-MS experiments, performed on an orbitrap mass spectrometer, highlighted the formation of heterodimeric complexes between DNA sequences, distamycin A, and polyimidazole compounds. Our results confirm that this ESI method could be a valuable tool for the identification of new molecules able to specifically recognize T:G mismatched base pairs.     

Qualification and post-mortem characterization of tungsten mock-ups exposed to cyclic high heat flux loading

In order to evaluate the option to start the ITER operation with a full tungsten (W) divertor, high heat flux tests were performed in the electron beam facility FE200, Le Creusot, France. Thereby, in total eight small-scale and three medium-scale monoblock mock-ups produced with different manufacturing technologies and different tungsten grades were exposed to cyclic steady state heat loads. The applied power density ranges from 10 to 20 MW/m² with a maximum of 1000 cycles at each particular loading step. Finally, on a reduced number of tiles, critical heat flux tests in the range of 30 MW/m² were performed.Besides macroscopic and microscopic images of the loaded surface areas, detailed metallographic analyses were performed in order to characterize the occurring damages, i.e., crack formation, recrystallization, and melting. Thereby, the different joining technologies, i.e., hot radial pressing (HRP) vs. hot isostatic pressing (HIP) of tungsten to the Cu-based cooling tube, were qualified showing a higher stability and reproducibility of the HIP technology also as repair technology. Finally, the material response at the loaded top surface was found to be depending on the material grade, microstructural orientation, and recrystallization state of the material. These damages might be triggered by the application of thermal shock loads during electron beam surface scanning and not by the steady state heat load only. However, the superposition of thermal fatigue loads and thermal shocks as also expected during ELMs in ITER gives a first impression of the possible severe material degradation at the surface during operational scenarios at the divertor strike point.     

Supercritical water oxidation of coal in power plants with low CO2 emissions

In this paper, the application of Super Critical Water Oxidation (SCWO) to direct combustion at low temperature of coal fine particles with pure oxygen for power generation is presented, including also a novel method for capturing and storing carbon dioxide as liquid. A detailed simulation model of a 100 MW_th coal-fired SWCO plant with low CO₂ emissions characterised by a steam cooled membraned SC reactor has been developed using Aspen Plus software. According to the well-known Semenov's thermal-ignition theory, the coal particle ignition temperature in SCW conditions has been also evaluated and the results have been integrated within the Aspen Plus model. This has been tested under different operating conditions. The simulation results are presented and the effects of the main plant operating conditions, such as ignition temperature, coal particle size and combustion pressure on the plant performances are discussed. The gross and net thermodynamic efficiencies of the power plant have been estimated to be around 44% and 28%, respectively. The pure oxygen production process results the main energy penalty.     

A meta-analysis of the effectiveness of placebo manipulations in alcohol-challenge studies.

Our meta-analysis examined the impact of specific alcohol placebo procedures on two manipulation checks (participant reports of number of alcohol drinks consumed and subjective intoxication) to determine which procedures produced the smallest effect sizes in comparisons between alcohol and placebo conditions. Databases for the years 1990–2007 yielded 44 studies that met inclusion criteria. These were subjected to detailed coding of procedures pertinent to placebo effectiveness. Alcohol versus placebo condition comparisons generally produced large effect sizes for both manipulation checks, but they were moderated by double-blind procedures and by peak breath-alcohol concentration (BrAC) attained in the alcohol condition. Other procedures moderated only the estimated number of alcohol drinks consumed. Implications for selection and assessment of alcohol placebo manipulations and for interpretability of experiments using them are discussed. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Effect of annealing atmosphere on phase formation and electrical characteristics of bismuth ferrite thin films

Bismuth ferrite thin films were deposited on Pt/Ti/SiO₂/Si substrates by a soft chemical method and spin-coating technique. The effect of annealing atmosphere (air, N₂ and O₂) on the structure and electrical properties of the films are reported. X-ray diffraction analysis reveals that the film annealed in air atmosphere is a single-phase perovskite structure. The films annealed in air showed better crystallinity and the presence of a single BFO phase leading to lower leakage current density and superior ferroelectric hysteresis loops at room temperature. In this way, we reveal that BFO film crystallized in air atmosphere by the soft chemical method can be useful for practical applications, including nonvolatile digital memories, spintronics and data-storage media.     

Quinagolide Treatment Reduces Invasive and Angiogenic Properties of Endometrial Mesenchymal Stromal Cells

Endometrial mesenchymal stromal cells (E-MSCs) extensively contribute to the establishment and progression of endometrial ectopic lesions through formation of the stromal vascular tissue, and support to its growth and vascularization. As E-MSCs lack oestrogen receptors, endometriosis eradication cannot be achieved by hormone-based pharmacological approaches. Quinagolide is a non-ergot-derived dopamine receptor 2 agonist reported to display therapeutic effects in in vivo models of endometriosis. In the present study, we isolated E-MSCs from eutopic endometrial tissue and from ovarian and peritoneal endometriotic lesions, and we tested the effect of quinagolide on their proliferation and matrix invasion ability. Moreover, the effect of quinagolide on E-MSC endothelial differentiation was assessed in an endothelial co-culture model of angiogenesis. E-MSC lines expressed dopamine receptor 2, with higher expression in ectopic than eutopic ones. Quinagolide inhibited the invasive properties of E-MSCs, but not their proliferation, and limited their endothelial differentiation. The abrogation of the observed effects by spiperone, a dopamine receptor antagonist, confirmed specific dopamine receptor activation. At variance, no involvement of VEGFR2 inhibition was observed. Moreover, dopamine receptor 2 activation led to downregulation of AKT and its phosphorylation. Of interest, several effects were more prominent on ectopic E-MSCs with respect to eutopic lines. Together with the reported effects on endometrial and endothelial cells, the observed inhibition of E-MSCs may increase the rationale for quinagolide in endometriosis treatment.     

Clinical and Genetic Characterization of Patients with Bartter and Gitelman Syndrome

Bartter (BS) and Gitelman (GS) syndrome are autosomal recessive inherited tubulopathies, whose clinical diagnosis can be challenging, due to rarity and phenotypic overlap. Genotype–phenotype correlations have important implications in defining kidney and global outcomes. The aim of our study was to assess the diagnostic rate of whole-exome sequencing (WES) coupled with a bioinformatic analysis of copy number variations in a population of 63 patients with BS and GS from a single institution, and to explore genotype-phenotype correlations. We obtained a diagnostic yield of 86% (54/63 patients), allowing disease reclassification in about 14% of patients. Although some clinical and laboratory features were more commonly reported in patients with BS or GS, a significant overlap does exist, and age at onset, preterm birth, gestational age and nephro-calcinosis are frequently misleading. Finally, chronic kidney disease (CKD) occurs in about 30% of patients with BS or GS, suggesting that the long-term prognosis can be unfavorable. In our cohort the features associated with CKD were lower gestational age at birth and a molecular diagnosis of BS, especially BS type 1. The results of our study demonstrate that WES is useful in dealing with the phenotypic heterogeneity of these disorders, improving differential diagnosis and genotype-phenotype correlation.