Machine learning search for stable binary Sn alloys with Na, Ca, Cu, Pd, and Ag

We present our findings of a large-scale screening for new synthesizable materials in five M-Sn binaries, M = Na, Ca, Cu, Pd, and Ag. The focus on these systems was motivated by the known richness of M-Sn properties with potential applications in energy storage, electronics packaging, and superconductivity. For the systematic exploration of the large configuration space, we relied on our recently developed MAISE-NET framework that constructs accurate neural network interatomic potentials and utilizes them to accelerate ab initio global structure searches. The scan of over two million candidate phases at a fraction of the typical ab initio calculation cost has uncovered 29 possible intermetallics thermodynamically stable at different temperatures and pressures (1 bar and 20 GPa). Notable predictions of ambient-pressure materials include a simple hP6-NaSn$_2$ phase, fcc-based Pd-rich alloys, tI36-PdSn$_2$ with a new prototype, and several high-temperature Sn-rich ground states in the Na-Sn, Cu-Sn, and Ag-Sn systems. Our modeling work also involved ab initio (re)examination of previously observed M-Sn compounds that helped explain the entropy-driven stabilization of known Cu-Sn phases. The study demonstrates the benefits of guiding structure searches with machine learning potentials and significantly expands the number of predicted thermodynamically stable crystalline intermetallics achieved with this strategy so far

Modeling of security and risk of bankruptcy of enterprise

The management problem is especially important due to the risk of enterprise bankruptcy under a market economy. Management by a business risk and to economic stability and safety of enterprise. Now, different methods are used in order that to prevent enterprises’ bankruptcy on the basis of prognoses and safety of risk methods, among from that, maybe, would be marked the following to those: method of DuPont, model of Altman, model of Olson, statistical methods well-known as the “Winnings” methods. The practical use of these models gave us a high result in case of small and middle enterprise. In every model the used discoveries are undertaken from the documents of the official financial reporting. The article analyzes mathematical methods and algorithms used to evaluate financial stability of an enterprise, such as the Altman Z-Score model. The models are designed to evaluate enterprise bankruptcy risks. The central concept is evaluation of the enterprise bankruptcy risk and presentation of an automated risk calculation system

Testing local isolates of entomopathogenic microorganisms against Brown Marmorated Stink Bug

The brown marmorated stink bug, Halyomorpha halys (Hemiptera: Pentatomidae) (BMSB) is an exotic invasive insect which has spread extensively and established in new area of Black sea regions of Georgia. During 2017-2019, infected adults with fungal disease symptoms were found in population of H. halys from different regions of Western Georgia. Three isolates of entomopathogenic fungus Beauveria bassiana sensu lato and one of Isaria cf fumosorosea were recovered. Mycoinsecticide Bover-Ge, based on a local strain of B. bassiana-024 (isolated from soil high mountain of Caucasus Range, provide molecular identification in CABI-UK, gave a unique cultural number - IMI # 501797 and keep in CABI Genetic Recourse Collection) two concentrations (1×107 and 1×108 conidia/ml) was tested on the adults of H. halys in laboratory and its efficiency reached 72.0-90.5%. Under laboratory conditions, local isolates of nematodes Heterorhabditis bacteriophora and Steinernema borjomiensis were tested on H. halys adults. At three increasing concentrations (200, 500 and 1000 IJs/mL), H. bacteriophora caused bug mortality at the rates of 33-47%. As for Steinernema borjomiensis, the respective values were 13-33%

First report of Hierodula transcaucasica (Brunner von Wattenwyl, 1878) predation on the Halyomorpha halys (Stal, 1855) in Georgia

The purpose of this study was to identify the mantid species in the population of the Brown Marmorated Stink Bug – Halyomorpha halys (Stål, 1855). H. halys is an economical pest on crops in Georgia, introduced and established rather recently. Mantids and H. halys were collected in the humid subtropical regions of Western Georgia and the dry subtropical regions of Eastern Georgia in 2018–2020. Based on the morphometric analysis and morphological observation confirmed that from four specimens, three belong to Hierodula transcaucasica Brunner von Wattenwyl, 1878, and one of them–Iris polystictica Fisher-Waldheim, 1846 (Synonims: Mantid polystictica Fisher-Waldheim, 1846; Iris tiflisina Giglio-Tos, 1915) H.transcaucasica characterized with: total length of specimens were ranged from 65 mm to72 mm; knee of the mid and hind femora (HF) with a small spine; the medial face of the fore coxae (FC) without a black spot. I. polystictica had the following remarkable signs: fore femora (FF) with 5 external spines, frontal sclerite (FS) with 2 small round knobs (SRK). Observations in nature and laboratory experimentshave shown that H. transcaucasica predates on H. Halys in all stages of post-embryonic development. It was also established that mantids followed H. halys grouping sitesand migrating population outside the building as well as inside of it. Predation of the adults and nymphs of H. transcaucasica was documented after they underwent starvation periods. The 3rd instar nymph of H. transcaucasica preyed on the 1stinstar H. halys nymphs, while adult H. transcaucasica attacked adult of H. halys. A maximum number of H. halys (7 insect) were eaten by an adult H. transcaucasica on the first day, and in this case, the same number of nymphs (7 insects) were observedwithin the first hours of the experiment. Statistical analysis shows that there is no correlation between the intensity of predation and the time of the day, which is confirmed by the chi-square test, in the case of an adult mantid (χ2 = 80.00, P = 0.355), and in the case of nymph (χ2 = 32,250, P = 0.264) as well

Clinical polymorphism of Allgrove (triple-A) syndrome in children: Possibilities for early diagnosis and approaches to therapy

The paper gives the data available in the literature, which reflect the manifestations, diagnosis, and treatments of the rare inherited disease Allgrove syndrome in children. Emphasis is placed on major difficulties in the differential and true diagnosis of this severe disease. The authors describe their clinical cases. Particular emphasis is laid on the clinical symptoms of the disease and on its diagnostic methods, among which the DNA diagnosis is of most importance. The probands were found to have mutations in the AAAS gene: in one case there was a mutation (c.856 C> T, p.Arg286Term) in homozygous state, which is described in the International Human Mutation Database (CM 10151); in other case there was a change in nucleotide sequence (c.709 delC), which is undescribed in the mutation and polymorphism databases and which leads to premature termination of the protein. It is shown that awareness of Allgrove syndrome among clinicians is low and the interdisciplinary approach is of importance

Polymorphism of the clinical manifestations of progressive mitochondrial encephalomyopathy associated with POLG1 gene mutation

The common cause of mitochondrial diseases is mutations in the POLG1 gene encoding the catalytic subunit of DNA-polymerase gamma that is responsible for the replication and repair of mitochondrial DNA. Diseases associated with POLG1 gene defects are characterized by obvious clinical polymorphism and may resemble some mitochondrial syndromes and other hereditary and nonhereditary diseases, which gives rise to diagnostic difficulties. Another characteristic feature is that phenotypic manifestations are of diversity in various patients having the same mutation in the POLG1 gene. The paper describes mitochondrial encephalomyopathy, caused by homozygous mutation in the polymerase gamma (POLG1, p.L304R), with different clinical manifestations and a poor outcome in patients from two different families

Prediction of Ground State Structures and Robust Weyl Fermionic States in MnRhP

Topological metals are a new class of materials that feature Fermionic quasiparticles with the presence of non-trivial band crossings near the Fermi level. In this work, we focus on establishing crystal structure ground states and the corresponding topological properties of MnRhP. Under ambient pressure and low temperatures, we find that an orthorhombic oP12 polymorph is favored over the known hexagonal hP9 phase. Pressures above 15 GPa stabilize tetragonal (tP6′), hexagonal (hP9′), and orthorhombic (oP12′) phases with inverted population of metal sites. While oP12′ has the lowest enthalpy, we show that hP9′ is more consistent with the previous X-ray diffraction data collected at 60 GPa. Our analysis of hP9 and oP12 topological properties reveals the existence of nodal lines around the Δ-point that are gapped out when spin-orbit coupling effects are included and transform into Weyl nodes with opposite chirality near the Fermi level. The calculated large values of the anomalous Hall conductivity in hP9, oP12, and tP6′ and the Z2 topological invariant in the non-magnetic hP9′ can be used to verify the predicted non-trivial robust topological features of MnRhP under ambient and high pressures. © 2022 American Chemical Society