Immediate results of surgical treatment of high and intermediate risk pulmonary embolism in elderly and senile patients

The aim of the study: is to analyze the immediate results of surgical treatment of high-and intermediate-risk PE in a group of elderly and senile patients. Material and methods. The study included 43 patients operated on for high-and intermediate-risk pulmonary embolism between 2008 and 2019. In the general group of patients, the number of women prevailed and amounted to 67.4%. The average age was 65.4 ± 4.23 years old. The Miller index in the general group was 29.1 ± 1.42. The Geneva Index was 8.4 ± 1.12. The average pressure in the pulmonary artery at the time of operation was 54 ± 1.4 mm Hg, and the peak pressure was 68 ± 3.43 mm Hg. Results. 5 patients died at the hospital stage. Thus, the hospital survival rate of patients was 88.4%. Among nonlethal complications, cardiovascular and respiratory failure prevailed. According to the statement, the calculated pressure gradient in the pulmonary artery was 29.0 ± 3.1 mm Hg. Conclusion. Surgical treatment is a highly eff ective and reliable method of treatment in the group of older patients.

First-principles surface characterization and water adsorption of Fe3P schreibersite

The meteoritic mineral schreibersite, e.g., Fe3P, is a proposed abiotic source of phosphorus for phosphate ion (PO4-) production, needed for nucleobases, phospholipids, and other life building materials. Schreibersite could have acted as both a source of elemental phosphorus and as a catalyst, and the hostile conditions on early Earth could have accelerated its degradation in different environments. Here, we present results from quantum calculations of bulk schreibersite and of its low Miller index surfaces. We also investigate water surface adsorption and identify possible dissociation pathways on the most stable facet. Our calculations provide useful chemical insights into schreibersite interactions in aqueous environments, paving the way for further detailed investigation on more reactive surfaces. Our results help provide a ``bottom-up'' understanding for phosphorylated organic synthesis on the primitive planet and its role in producing life building molecules.

Computational synthesis of substrates by crystal cleavage

The discovery of substrate materials has been dominated by trial and error, opening the opportunity for a systematic search. We generate bonding networks for materials from the Materials Project and systematically break up to three bonds in the networks for three-dimensional crystals. Successful cleavage reduces the bonding network to two periodic dimensions. We identify 4693 symmetrically unique cleavage surfaces across 2133 bulk crystals, 4626 of which have a maximum Miller index of one. We characterize the likelihood of cleavage by creating monolayers of these surfaces and calculating their thermodynamic stability using density functional theory to discover 3991 potential substrates. Following, we identify distinct trends in the work of cleavage and relate them to bonding in the three-dimensional precursor. We illustrate the potential impact of the substrate database by identifying several improved epitaxial substrates for the transparent conductor BaSnO3. The open-source databases of predicted and commercial substrates are available at MaterialsWeb.org.

A DFT study of the adsorption energy and electronic interactions of the SO2 molecule on a CoP hydrotreating catalyst

The adsorption energy and electronic properties of sulfur dioxide (SO2) adsorbed on different low-Miller index cobalt phosphide (CoP) surfaces were examined using density functional theory (DFT).

First-Principles Investigation of CO Adsorption on h-Fe7C3 Catalyst

h-Fe7C3 is considered as the main active phase of medium-temperature Fe-based Fischer–Tropsch catalysts. Basic theoretical guidance for the design and preparation of Fe-based Fischer–Tropsch catalysts can be obtained by studying the adsorption and activation behavior of CO on h-Fe7C3. In this paper, the first-principles method based on density functional theory is used to study the crystal structure properties of h-Fe7C3 and the adsorption and activation CO on its low Miller index surfaces ( 1 1 ¯ 0 ) , ( 1 1 ¯ 1 ) , ( 101 ) , ( 1 1 ¯ 1 ¯ ) and ( 001 ) . It was found that the low Miller index crystal plane of h-Fe7C3 crystal has multiple equivalent crystal planes and that the maximum adsorption energy of CO at the 3F2 point of the ( 1 1 ¯ 1 ) plane is −2.50 eV, indicating that h-Fe7C3 has a better CO adsorption performance. In addition, the defects generated at the truncated position of the h-Fe7C3 crystal plane have a great impact on the adsorption energy of CO on its surface, that is, the adsorption energy of CO on Fe atoms with C vacancies is higher. The activity of CO after adsorption is greatly affected by the adsorption configuration and less affected by the adsorption energy. The higher the coordination number of Fe atoms after adsorption, the higher the CO activity. At the same time, it was found that the bonding of O and Fe atoms is conducive to the activation of CO.