Radiative association and inverse predissociation of oxygen atoms

The formation of \mbox{O}_2 by radiative association and by inverse predissociation of ground state oxygen atoms is studied using quantum-mechanical methods. Cross sections, emission spectra, and rate coefficients are presented and compared with prior experimental and theoretical results. At temperatures below 1000~K radiative association occurs by approach along the $1\,{}^3\Pi_u$ state of \mbox{O}_2 and above 1000~K inverse predissociation through the \mbox{B}\,{}^3\Sigma_u^- state is the dominant mechanism. This conclusion is supported by a quantitative comparison between the calculations and data obtained from hot oxygen plasma spectroscopy.Comment: submitted to Phys. Rev. A (Sept. 7., 1994), 19 pages, 4 figures, latex (revtex3.0 and epsf.sty

Structural Similarity based Anatomical and Functional Brain Imaging Fusion

Multimodal medical image fusion helps in combining contrasting features from two or more input imaging modalities to represent fused information in a single image. One of the pivotal clinical applications of medical image fusion is the merging of anatomical and functional modalities for fast diagnosis of malignant tissues. In this paper, we present a novel end-to-end unsupervised learning-based Convolutional Neural Network (CNN) for fusing the high and low frequency components of MRI-PET grayscale image pairs, publicly available at ADNI, by exploiting Structural Similarity Index (SSIM) as the loss function during training. We then apply color coding for the visualization of the fused image by quantifying the contribution of each input image in terms of the partial derivatives of the fused image. We find that our fusion and visualization approach results in better visual perception of the fused image, while also comparing favorably to previous methods when applying various quantitative assessment metrics.Comment: Accepted at MICCAI-MBIA 201

Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2_2O on TiO2_2(110)

Knowledge of the frontier levels' alignment prior to photo-irradiation is necessary to achieve a complete quantitative description of H$_2$O photocatalysis on TiO$_2$(110). Although H$_2$O on rutile TiO$_2$(110) has been thoroughly studied both experimentally and theoretically, a quantitative value for the energy of the highest H$_2$O occupied levels is still lacking. For experiment, this is due to the H$_2$O levels being obscured by hybridization with TiO$_2$(110) levels in the difference spectra obtained via ultraviolet photoemission spectroscopy (UPS). For theory, this is due to inherent difficulties in properly describing many-body effects at the H$_2$O-TiO$_2$(110) interface. Using the projected density of states (DOS) from state-of-the-art quasiparticle (QP) $G_0W_0$, we disentangle the adsorbate and surface contributions to the complex UPS spectra of H$_2$O on TiO$_2$(110). We perform this separation as a function of H$_2$O coverage and dissociation on stoichiometric and reduced surfaces. Due to hybridization with the TiO$_2$(110) surface, the H$_2$O 3a$_1$ and 1b$_1$ levels are broadened into several peaks between 5 and 1 eV below the TiO$_2$(110) valence band maximum (VBM). These peaks have both intermolecular and interfacial bonding and antibonding character. We find the highest occupied levels of H$_2$O adsorbed intact and dissociated on stoichiometric TiO$_2$(110) are 1.1 and 0.9 eV below the VBM. We also find a similar energy of 1.1 eV for the highest occupied levels of H$_2$O when adsorbed dissociatively on a bridging O vacancy of the reduced surface. In both cases, these energies are significantly higher (by 0.6 to 2.6 eV) than those estimated from UPS difference spectra, which are inconclusive in this energy region. Finally, we apply self-consistent QP$GW$ (scQP$GW$1) to obtain the ionization potential of the H$_2$O-TiO$_2$(110) interface.Comment: 12 pages, 12 figures, 1 tabl

On theconsistency of model, ground-based and satellite observations of tidal signatures: Initial results from theCAWSES tidal campaigns

Comparisons between tidal wind signatures diagnosed from satellite and ground-based observations and a general circulations model for two (September–October 2005, March–April 2007) of the four Climate and Weather of the Sun-Earth System (CAWSES) Global Tidal Campaign observation periods are presented (CAWSES is an international program sponsored by Scientific Committee on Solar-Terrestrial Physics). Specific comparisons are made between model (extended Canadian Middle Atmosphere Model), satellite (Thermosphere Ionosphere Mesosphere Energetics and Dynamics (TIMED)), meteor, MF and incoherent scatter radar (ISR), and lidar tidal signatures in the mesosphere and lower thermosphere. The satellite and ground-based signatures are in good agreement and demonstrate for the first time that the tidal wind fields observed by both types of observations are consistent with each other. This is the first time that such agreement has been reported and effectively resolves the long-standing issue between ground-based radar and satellite optical measurements of winds. This level of agreement, which has proved elusive in the past, was accomplished by superposing the significant tidal components from the satellite analyses to reconstruct the fields observed by the ground stations. Particularly striking in these comparisons is the extent to which the superposed fields show strong geographic variability. This variability is also seen in the component superpositions generated from the extended Canadian Middle Atmosphere Model (eCMAM), although differences in the geographic patterns are evident

QuantiFERON®-TB gold in-tube performance for diagnosing active tuberculosis in children and adults in a high burden setting.

To determine whether QuantiFERON®-TB Gold In-Tube (QFT) can contribute to the diagnosis of active tuberculosis (TB) in children in a high-burden setting and to assess the performance of QFT and tuberculin skin test (TST) in a prospective cohort of TB suspect children compared to adults with confirmed TB in Tanzania. Sensitivity and specificity of QFT and TST for diagnosing active TB as well as indeterminate QFT rates and IFN-γ levels were assessed in 211 TB suspect children in a Tanzanian district hospital and contrasted in 90 adults with confirmed pulmonary TB. Sensitivity of QFT and TST in children with confirmed TB was 19% (5/27) and 6% (2/31) respectively. In adults sensitivity of QFT and TST was 84% (73/87) and 85% (63/74). The QFT indeterminate rate in children and adults was 27% and 3%. Median levels of IFN-γ were lower in children than adults, particularly children <2 years and HIV infected. An indeterminate result was associated with age <2 years but not malnutrition or HIV status. Overall childhood mortality was 19% and associated with an indeterminate QFT result at baseline. QFT and TST showed poor performance and a surprisingly low sensitivity in children. In contrast the performance in Tanzanian adults was good and comparable to performance in high-income countries. Indeterminate results in children were associated with young age and increased mortality. Neither test can be recommended for diagnosing active TB in children with immature or impaired immunity in a high-burden setting

FindFoci: a focus detection algorithm with automated parameter training that closely matches human assignments, reduces human inconsistencies and increases speed of analysis

Accurate and reproducible quantification of the accumulation of proteins into foci in cells is essential for data interpretation and for biological inferences. To improve reproducibility, much emphasis has been placed on the preparation of samples, but less attention has been given to reporting and standardizing the quantification of foci. The current standard to quantitate foci in open-source software is to manually determine a range of parameters based on the outcome of one or a few representative images and then apply the parameter combination to the analysis of a larger dataset. Here, we demonstrate the power and utility of using machine learning to train a new algorithm (FindFoci) to determine optimal parameters. FindFoci closely matches human assignments and allows rapid automated exploration of parameter space. Thus, individuals can train the algorithm to mirror their own assignments and then automate focus counting using the same parameters across a large number of images. Using the training algorithm to match human assignments of foci, we demonstrate that applying an optimal parameter combination from a single image is not broadly applicable to analysis of other images scored by the same experimenter or by other experimenters. Our analysis thus reveals wide variation in human assignment of foci and their quantification. To overcome this, we developed training on multiple images, which reduces the inconsistency of using a single or a few images to set parameters for focus detection. FindFoci is provided as an open-source plugin for ImageJ

Quantum Engineering With Hybrid Magnonic Systems and Materials (Invited Paper)

Quantum technology has made tremendous strides over the past two decades with remarkable advances in materials engineering, circuit design, and dynamic operation. In particular, the integration of different quantum modules has benefited from hybrid quantum systems, which provide an important pathway for harnessing different natural advantages of complementary quantum systems and for engineering new functionalities. This review article focuses on the current frontiers with respect to utilizing magnons for novel quantum functionalities. Magnons are the fundamental excitations of magnetically ordered solid-state materials and provide great tunability and flexibility for interacting with various quantum modules for integration in diverse quantum systems. The concomitant-rich variety of physics and material selection enable exploration of novel quantum phenomena in materials science and engineering. In addition, the ease of generating strong coupling with other excitations makes hybrid magnonics a unique platform for quantum engineering. We start our discussion with circuit-based hybrid magnonic systems, which are coupled with microwave photons and acoustic phonons. Subsequently, we focus on the recent progress of magnon–magnon coupling within confined magnetic systems. Next, we highlight new opportunities for understanding the interactions between magnons and nitrogen-vacancy centers for quantum sensing and implementing quantum interconnects. Lastly, we focus on the spin excitations and magnon spectra of novel quantum materials investigated with advanced optical characterization

Laser Machining by short and ultrashort pulses, state of the art and new opportunities in the age of the photons

An overview is given of the applications of short and ultrashort lasers in material processing. Shorter pulses reduce heat-affected damage of the material and opens new ways for nanometer accuracy. Even forty years after the development of the laser there is a lot of effort in developing new and better performing lasers. The driving force is higher accuracy at reasonable cost, which is realised by compact systems delivering short laser pulses of high beam quality. Another trend is the shift towards shorter wavelengths, which are better absorbed by the material and which allows smaller feature sizes to be produced. Examples of new products, which became possible by this technique, are given. The trends in miniaturization as predicted by Moore and Taniguchi are expected to continue over the next decade too thanks to short and ultrashort laser machining techniques. After the age of steam and the age of electricity we have entered the age of photons now

A Statistically Rigorous Test for the Identification of Parent−Fragment Pairs in LC-MS Datasets

Untargeted global metabolic profiling by liquid chromato-graphy−mass spectrometry generates numerous signals that are due to unknown compounds and whose identification forms an important challenge. The analysis of metabolite fragmentation patterns, following collision-induced dissociation, provides a valuable tool for identification, but can be severely impeded by close chromatographic coelution of distinct metabolites. We propose a new algorithm for identifying related parent−fragment pairs and for distinguishing these from signals due to unrelated compounds. Unlike existing methods, our approach addresses the problem by means of a hypothesis test that is based on the distribution of the recorded ion counts, and thereby provides a statistically rigorous measure of the uncertainty involved in the classification problem. Because of technological constraints, the test is of primary use at low and intermediate ion counts, above which detector saturation causes substantial bias to the recorded ion count. The validity of the test is demonstrated through its application to pairs of coeluting isotopologues and to known parent−fragment pairs, which results in test statistics consistent with the null distribution. The performance of the test is compared with a commonly used Pearson correlation approach and found to be considerably better (e.g., false positive rate of 6.25%, compared with a value of 50% for the correlation for perfectly coeluting ions). Because the algorithm may be used for the analysis of high-mass compounds in addition to metabolic data, we expect it to facilitate the analysis of fragmentation patterns for a wide range of analytical problems