X-Ray Magnetic Circular Dichroism at the K edge of Mn3GaC

We theoretically investigate the origin of the x-ray magnetic circular dichroism (XMCD) spectra at the K edges of Mn and Ga in the ferromagnetic phase of Mn3GaC on the basis of an ab initio calculation. Taking account of the spin-orbit interaction in the LDA scheme, we obtain the XMCD spectra in excellent agreement with the recent experiment. We have analyzed the origin of each structure, and thus elucidated the mechanism of inducing the orbital polarization in the p symmetric states. We also discuss a simple sum rule connecting the XMCD spectra with the orbital moment in the p symmetric states.Comment: 5 pages, 5 figures, accepted for publication in Physical Review

Fluctuation properties of the TASEP with periodic initial configuration

We consider the joint distributions of particle positions for the continuous time totally asymmetric simple exclusion process (TASEP). They are expressed as Fredholm determinants with a kernel defining a signed determinantal point process. We then consider certain periodic initial conditions and determine the kernel in the scaling limit. This result has been announced first in a letter by one of us and here we provide a self-contained derivation. Connections to last passage directed percolation and random matrices are also briefly discussed.Comment: 33 pages, 4 figure, LaTeX; We added several references to the general framework and techniques use

Exclusive Queueing Process with Discrete Time

In a recent study [C Arita, Phys. Rev. E 80, 051119 (2009)], an extension of the M/M/1 queueing process with the excluded-volume effect as in the totally asymmetric simple exclusion process (TASEP) was introduced. In this paper, we consider its discrete-time version. The update scheme we take is the parallel one. A stationary-state solution is obtained in a slightly arranged matrix product form of the discrete-time open TASEP with the parallel update. We find the phase diagram for the existence of the stationary state. The critical line which separates the parameter space into the regions with and without the stationary state can be written in terms of the stationary current of the open TASEP. We calculate the average length of the system and the average number of particles

A dual center and dual vendor comparison study of automated perfusion‐weighted phase‐resolved functional lung magnetic resonance imaging with dynamic contrast‐enhanced magnetic resonance imaging in patients with cystic fibrosis

For sensitive diagnosis and monitoring of pulmonary disease, ionizing radiation-free imaging methods are of great importance. A noncontrast and free-breathing proton magnetic resonance imaging (MRI) technique for assessment of pulmonary perfusion is phase-resolved functional lung (PREFUL) MRI. Since there is no validation of PREFUL MRI across different centers and scanners, the purpose of this study was to compare perfusion-weighted PREFUL MRI with the well-established dynamic contrast-enhanced (DCE) MRI across two centers on scanners from two different vendors. Sixteen patients with cystic fibrosis (CF) (Center 1: 10 patients; Center 2: 6 patients) underwent PREFUL and DCE MRI at 1.5T in the same imaging session. Normalized perfusion-weighted values and perfusion defect percentage (QDP) values were calculated for the whole lung and three central slices (dorsal, central, ventral of the carina). Obtained parameters were compared using Pearson correlation, Spearman correlation, Bland–Altman analysis, Wilcoxon signed-rank test, and Wilcoxon rank-sum test. Moderate-to-strong correlations between normalized perfusion-weighted PREFUL and DCE values were found (posterior slice: r = 0.69, p  0.07). The feasibility of PREFUL MRI across two different centers and two different vendors was shown in patients with CF and obtained results were in agreement with DCE MRI

Validation of the Mass-Extraction-Window for Quantitative Methods Using Liquid Chromatography High Resolution Mass Spectrometry.

A paradigm shift is underway in the field of quantitative liquid chromatography-mass spectrometry (LC-MS) analysis thanks to the arrival of recent high-resolution mass spectrometers (HRMS). The capability of HRMS to perform sensitive and reliable quantifications of a large variety of analytes in HR-full scan mode is showing that it is now realistic to perform quantitative and qualitative analysis with the same instrument. Moreover, HR-full scan acquisition offers a global view of sample extracts and allows retrospective investigations as virtually all ionized compounds are detected with a high sensitivity. In time, the versatility of HRMS together with the increasing need for relative quantification of hundreds of endogenous metabolites should promote a shift from triple-quadrupole MS to HRMS. However, a current "pitfall" in quantitative LC-HRMS analysis is the lack of HRMS-specific guidance for validated quantitative analyses. Indeed, false positive and false negative HRMS detections are rare, albeit possible, if inadequate parameters are used. Here, we investigated two key parameters for the validation of LC-HRMS quantitative analyses: the mass accuracy (MA) and the mass-extraction-window (MEW) that is used to construct the extracted-ion-chromatograms. We propose MA-parameters, graphs, and equations to calculate rational MEW width for the validation of quantitative LC-HRMS methods. MA measurements were performed on four different LC-HRMS platforms. Experimentally determined MEW values ranged between 5.6 and 16.5 ppm and depended on the HRMS platform, its working environment, the calibration procedure, and the analyte considered. The proposed procedure provides a fit-for-purpose MEW determination and prevents false detections

X Ray Microspectroscopy and Ptychography on Nanoscale Structures in Rock Varnish

X-ray microspectroscopy is a powerful analytical method in geoscientific and environmental research as it provides a unique combination of nanoscale imaging with high spectroscopic sensitivity at relatively low beam-related sample damage. In this study, “classical” scanning transmission soft X-ray microscopy (STXM) with X-ray absorption spectroscopy and the recently established soft X-ray ptychography are applied to the analysis of selected rock varnish samples from urban and arid desert environments. X-ray ptychography enhances the spatial resolution relative to STXM by up to 1 order of magnitude. With its high chemical sensitivity, it can resolve nanoscale differences in valence states of the key varnish elements manganese (Mn) and iron. Our results emphasize the complex nanoarchitecture of rock varnish as well as the diverse mineralogy of the Mn oxy–hydroxide matrix and its embedded dust grains. In contrast to the fast-growing urban varnish, the slow-growing arid desert varnish revealed a remarkable nanoscale stratification of alternating Mn valence states, providing hints on the layer-wise and still enigmatic growth process. With “energy screening point scan spectra”—in short “ptychography E screening”—we refer to energy scans with an illumination spot diameter of about 100 μm at a fixed beam location on the sample. These scans were conducted prior to ptychography image stack scans in order to resolve the precise position of spectral features and to define the most appropriate energies for the ptychography images to achieve the best chemical contrast