959 research outputs found
Highly selective population of spin-orbit levels in electronic autoionization of O<sub>2</sub>
The dynamics of electronic autoionization in O2 has been studied using a new apparatus which combines a free-jet supersonic expansion with synchrotron radiation. Ions and electrons were analyzed by a double time-of-flight spectrometer. The spin-orbit sublevels of the 3Î u (v=0 and 2) Rydberg states in O2 were selectively excited and the resulting O+2 final states were determined by time-of-flight photoelectron spectros copy. A strong variation of the 2Î 1/2g :2Î 3/2g branching ratio was observed. This variation results from the selection of a single continuum wave function in the autoionization process
Semi-empirical derived descriptors for the modelling of properties of N-containing heterocycles
Nanoscale mobility mapping in semiconducting polymer films
This work was supported by grant No 19-12-00066 of the Russian Science Foundation.Local electrical properties of thin films of the polymer PTB7 are studied by conductive atomic force microscopy (C-AFM). Non-uniform nanoscale current distribution in the neat PTB7 film is revealed and connected with the existence of ordered PTB7 crystallites. The shape of local I-V curves is explained by the presence of space charge limited current. We modify an existing semi-empirical model for estimation of the nanoscale hole mobility from our experimental C-AFM measurements. The procedure of nanoscale charge mobility estimation was described and applied to the PTB7 films. The calculated average C-AFM hole mobility is in good agreement with macroscopic values reported for this material. Mapping of nanoscale hole mobility was achieved using the described procedure. Local mobility values, influenced by nanoscale structure, vary more than two times in value and have a root-mean-square value 0.22 × 10−8 m2/(Vs), which is almost 20% from average hole mobility.PostprintPeer reviewe
A robust prognostic signature for hormone-positive node-negative breast cancer
BACKGROUND: Systemic chemotherapy in the adjuvant setting can cure breast cancer in some patients that would otherwise recur with incurable, metastatic disease. However, since only a fraction of patients would have recurrence after surgery alone, the challenge is to stratify high-risk patients (who stand to benefit from systemic chemotherapy) from low-risk patients (who can safely be spared treatment related toxicities and costs). METHODS: We focus here on risk stratification in node-negative, ER-positive, HER2-negative breast cancer. We use a large database of publicly available microarray datasets to build a random forests classifier and develop a robust multi-gene mRNA transcription-based predictor of relapse free survival at 10Â years, which we call the Random Forests Relapse Score (RFRS). Performance was assessed by internal cross-validation, multiple independent data sets, and comparison to existing algorithms using receiver-operating characteristic and Kaplan-Meier survival analysis. Internal redundancy of features was determined using k-means clustering to define optimal signatures with smaller numbers of primary genes, each with multiple alternates. RESULTS: Internal OOB cross-validation for the initial (full-gene-set) model on training data reported an ROC AUC of 0.704, which was comparable to or better than those reported previously or obtained by applying existing methods to our dataset. Three risk groups with probability cutoffs for low, intermediate, and high-risk were defined. Survival analysis determined a highly significant difference in relapse rate between these risk groups. Validation of the models against independent test datasets showed highly similar results. Smaller 17-gene and 8-gene optimized models were also developed with minimal reduction in performance. Furthermore, the signature was shown to be almost equally effective on both hormone-treated and untreated patients. CONCLUSIONS: RFRS allows flexibility in both the number and identity of genes utilized from thousands to as few as 17 or eight genes, each with multiple alternatives. The RFRS reports a probability score strongly correlated with risk of relapse. This score could therefore be used to assign systemic chemotherapy specifically to those high-risk patients most likely to benefit from further treatment
Angle-Resolved Photoelectron Spectroscopy of C60
Angle-resolved photoelectron spectra of gaseous C60 were recorded in the photon energy regions from 21 to 108 eV and from 295 to 320 eV. Partial cross sections σ and the angular distribution anisotropy parameter β vary significantly with photon energy, particularly in the near-threshold region of the valence and the core ionization regimes. Some of these effects may be attributed to scattering of the outgoing photoelectron by the atoms of the ionized C60 molecule. Our results indicate that the observed satellites of the C(1s) main line are most likely of shake-up character. Low-energy electrons emitted below the shake-off threshold indicate the occurrence of K-shell vacancy filling double Auger decay
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PERFLUOROCARBON GAS TRACER STUDIES TO SUPPORT RISK ASSESSMENT MODELING OF CRITICAL INFRASTRUCTURE SUBJECTED TO TERRORIST ATTACKS.
Development of real-time predictive modeling to identify the dispersion and/or source(s) of airborne weapons of mass destruction including chemical, biological, radiological, and nuclear material in urban environments is needed to improve response to potential releases of these materials via either terrorist or accidental means. These models will also prove useful in defining airborne pollution dispersion in urban environments for pollution management/abatement programs. Predicting gas flow in an urban setting on a scale of less than a few kilometers is a complicated and challenging task due to the irregular flow paths that occur along streets and alleys and around buildings of different sizes and shapes, i.e., ''urban canyons''. In addition, air exchange between the outside and buildings and subway areas further complicate the situation. Transport models that are used to predict dispersion of WMD/CBRN materials or to back track the source of the release require high-density data and need defensible parameterizations of urban processes. Errors in the data or any of the parameter inputs or assumptions will lead to misidentification of the airborne spread or source release location(s). The need for these models to provide output in a real-time fashion if they are to be useful for emergency response provides another challenge. To improve the ability of New York City's (NYC's) emergency management teams and first response personnel to protect the public during releases of hazardous materials, the New York City Urban Dispersion Program (UDP) has been initiated. This is a four year research program being conducted from 2004 through 2007. This paper will discuss ground level and subway Perfluorocarbon tracer (PFT) release studies conducted in New York City. The studies released multiple tracers to study ground level and vertical transport of contaminants. This paper will discuss the results from these tests and how these results can be used for improving transport models needed for risk assessment
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