Disentangling Structural Confusion through Machine Learning: Structure Prediction and Polymorphism of Equiatomic Ternary Phases ABC.

A method to predict the crystal structure of equiatomic ternary compositions based only on the constituent elements was developed using cluster resolution feature selection (CR-FS) and support vector machine (SVM) classification. The supervised machine-learning model was first trained with 1037 individual compounds that adopt the most populated ternary 1:1:1 structure types (TiNiSi-, ZrNiAl-, PbFCl-, LiGaGe-, YPtAs-, UGeTe-, and LaPtSi-type) and then validated using an additional 519 compounds. The CR-FS algorithm improves class discrimination and indicates that 113 variables including size, electronegativity, number of valence electrons, and position on the periodic table (group number) influence the structure preference.

Manganese-substituted rare-earth zinc arsenides RE(1-y)Mn(x)Zn(2-x)As2 (RE = Eu-Lu) and RE(2-y)Mn(x)Zn(4-x)As4 (RE = La-Nd, Sm, Gd).

Two series of Mn-substituted rare-earth zinc arsenides RE(1-y)Mn(x)Zn(2-x)As2 (RE = Eu-Lu) and RE(2-y)Mn(x)Zn(4-x)As4 (RE = La-Nd, Sm, Gd) were prepared by reaction of the elements at 750 °C. Both series are derived from ideal empirical formula REM2As2 (M = Mn, Zn) and adopt crystal structures related to the trigonal CaAl2Si2-type (space group P3m1) in which hexagonal nets of RE atoms and [M2As2] slabs built up of edge-sharing M-centered tetrahedra are alternately stacked along the c-direction. For compounds with divalent RE components (Eu, Yb), the fully stoichiometric and charge-balanced formula REM2As2 is obtained, with Mn and Zn atoms statistically disordered within the same tetrahedral site.

[A comparative study of the hemodynamic and antioxidant effects of Capoten and prazosin in patients with refractory heart failure].

Overall fifty one patients with chronic cardiac insufficiency (ChCI) were studied for changes in parameters characterizing hemodynamics and lipid peroxidation (LPO) under treatment with kapoten and prazosin. Kapoten was found to be capable of exerting an antioxidant effect and working in ways beneficial for the pulmonary circulation, while prazosin is generally indicated to patients with ChCI presenting with increased end diastolic pressure in the left ventricle. Prazosin activates LPO, for which reason its pro-oxidant action needs to be drug-corrected.

[The incidence and characteristics of the clinical picture of recurrent myocardial infarct in the rural population].

As many as 3033 patients with myocardial infarction residing in rural areas were kept under observation. In this population, myocardial reinfarction (MRI) was diagnosed in 411 subjects, with 78.8% having had it for 4 years.

[The lipid peroxidation indices of hypertension patients undergoing combined therapy with anaprilin, korinfar and hypothiazide].

Lipid peroxidation (LPO) products and activity of antioxidant defense (AOD) were evaluated in the whole blood and red cells of 78 patients with hypertension stage II given anapriline, corinfar and hypotiazid. Combined therapy with anapriline and hypotiazid (80-120 mg/day and 50 mg/day, respectively) diminishes concentrations of diene conjugates and malonic dialdehyde (MDA) in blood though LPO parameters after the treatment exceeded those of healthy subjects. Native antioxidants content and activity of antioxidant enzymes glutathione peroxidase and superoxide dismutase increased.