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Representation regarding mosaic perfusion in chronic thromboembolic lung hypertension (CTEPH) about C-arm calculated tomography in comparison to worked out tomography pulmonary angiogram (CTPA).
Finally, simulated radial distribution functions are used to explore the evolution of the molecular-scale structure with increasing pressure. Subtle changes in the short-range real-space correlations are related to a collapse of the molecular conformations with increasing pressure, while the evolution of the static structure factor shows excellent correlation with the available x-ray diffraction data. These results are of indirect relevance to oil-based lubricants, as the pressures involved are comparable to those found in engines, and hence, the ability of lubricating thin films to act as load-bearing media can be linked to the solidification phenomena studied in this work.We investigate the numerical stability of time-dependent coupled-cluster theory for many-electron dynamics in intense laser pulses, comparing two coupled-cluster formulations with full configuration interaction theory. Our numerical experiments show that orbital-adaptive time-dependent coupled-cluster doubles (OATDCCD) theory offers significantly improved stability compared with the conventional Hartree-Fock-based time-dependent coupled-cluster singles-and-doubles (TDCCSD) formulation. IMT1 The improved stability stems from greatly reduced oscillations in the doubles amplitudes, which, in turn, can be traced to the dynamic biorthonormal reference determinants of OATDCCD theory. As long as these are good approximations to the Brueckner determinant, OATDCCD theory is numerically stable. We propose the reference weight as a diagnostic quantity to identify situations where the TDCCSD and OATDCCD theories become unstable.We present the application of the spherically averaged continuum model to the evaluation of molecular photoelectron and resonant Auger electron spectra. In this model, the continuum wave function is obtained in a numerically efficient way by solving the radial Schrödinger equation with a spherically averaged molecular potential. Different approximations to the Auger transition matrix element and, in particular, the one-center approximation are thoroughly tested against experimental data for the CH4, O2, NO2, and pyrimidine molecules. In general, this approach appears to estimate the shape of the photoelectron and autoionization spectra as well as the total Auger decay rates with reasonable accuracy, allowing for the interpretation of experimental results.The HeH+ molecule is the first to be formed in the Universe. Its recent detection, in the interstellar medium, has increased the interest in the study of the physical and chemical properties of this ion. Here, we report exact quantum time-independent calculations of the collisional cross sections and rate coefficients for the rotational excitation of HeH+ by H. Reactive and exchange channels are taken into account in the scattering calculations. Cross sections are computed for energies of up to 10 000 cm-1, enabling the computation of rate coefficients for temperatures of up to 500 K. The strongest collision-induced rotational HeH+ transitions are those with Δj = 1. Previous results obtained using approximate treatment are compared to the new ones, and significant differences are found. The new rate coefficients are also compared to those for electron-impact rotational excitation, and we found that collisions with H dominate the excitation of HeH+ in media where the electron fraction is less than 10-4. In the light of those results, we recommend the use of the new HeH+-H collisional data in order to accurately model HeH+ excitation in both the interstellar media and early Universe.The growth of mixed cobalt-iron oxides on Ru(0001) by high-temperature oxygen-assisted molecular beam epitaxy has been monitored in real time and real space by x-ray absorption photoemission microscopy. The initial composition is a mixed Fe-Co(II) oxide wetting layer, reflecting the ratio of the deposited materials. However, as subsequent growth of three dimensional spinel islands nucleating on this wetting layer takes place, the composition of the oxide in the wetting layer changes as iron is transferred into the spinel islands. The composition of the islands themselves also changes during growth.Phase separation of intrinsically disordered proteins is important for the formation of membraneless organelles or biomolecular condensates, which play key roles in the regulation of biochemical processes within cells. In this work, we investigated the phase separation of different sequences of a coarse-grained model for intrinsically disordered proteins and discovered a surprisingly rich phase behavior. We studied both the fraction of total hydrophobic parts and the distribution of hydrophobic parts. Not surprisingly, sequences with larger hydrophobic fractions showed conventional liquid-liquid phase separation. The location of the critical point was systematically influenced by the terminal beads of the sequence due to changes in interfacial composition and tension. For sequences with lower hydrophobicity, we observed not only conventional liquid-liquid phase separation but also re-entrant phase behavior in which the liquid phase density decreases at lower temperatures. For some sequences, we observed the formation of open phases consisting of aggregates, rather than a normal liquid. These aggregates had overall lower densities than the conventional liquid phases and exhibited complex geometries with large interconnected string-like or membrane-like clusters. Our findings suggest that minor alterations in the ordering of residues may lead to large changes in the phase behavior of the protein, a fact of significant potential relevance for biology.A quantitative understanding of the evaporative drying kinetics and nucleation rates of aqueous based aerosol droplets is important for a wide range of applications, from atmospheric aerosols to industrial processes such as spray drying. Here, we introduce a numerical model for interpreting measurements of the evaporation rate and phase change of drying free droplets made using a single particle approach. We explore the evaporation of aqueous sodium chloride and sodium nitrate solution droplets. Although the chloride salt is observed to reproducibly crystallize at all drying rates, the nitrate salt solution can lose virtually all of its water content without crystallizing. The latter phenomenon has implications for our understanding of the competition between the drying rate and nucleation kinetics in these two systems. The nucleation model is used in combination with the measurements of crystallization events to infer nucleation rates at varying equilibrium state points, showing that classical nucleation theory provides a good description of the crystallization of the chloride salt but not the nitrate salt solution droplets.
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