Reactivity of Ts and At oxides and oxyhydrides with a gold surface from periodic DFT calculations.

Adsorption energies, , of oxides and oxyhydrides of the superheavy element (SHEs) Ts and of its lighter homologue At on the gold surface are predicted on the basis of relativistic periodic density functional theory calculations AMS BAND software. The following compounds were considered: MO, MO, MOO, and MO(OH) (where M = At and Ts). The aim of this study is to support "one-atom-at-a-time" gas-phase chromatography experiments on reactivity/volatility of SHEs.

A theoretical study of the adsorption behavior of superheavy 7p-elements and their compounds on a surface of gold in comparison with their lighter homologs.

Adsorption energies, , of the 7th row superheavy elements (SHEs) Lv through Og, as well as of the homologous species of the 6th row elements Po through Rn on a gold surface are predicted on the basis of relativistic periodic density functional theory calculations SCM BAND software. Since some of the elements can also form compounds such as hydrides and oxyhydrides under experimental conditions, the values of the MH (M = Bi/Mc, Po/Lv, At/Ts and Rn/Og) and MOH (M = At/Ts and Rn/Og) molecules on a gold surface were also calculated. The aim of this study is to support "one-atom-at-a-time" gas-phase chromatography experiments on the reactivity/volatility of SHEs.

Age-Related Features of Ketanserin Effects in Experimental Liver Cirrhosis.

The effect of ketanserin on inflammation, liver fibrosis, and microviscosity of the plasma and mitochondrial membranes of hepatocytes was studied on young (3 months) and old (9 months) male Wistar rats with experimental liver cirrhosis. Ketanserin reduced inflammation, area of the connective tissue, and liver damage and improved serum biochemical parameters in rats of both age groups; in old rats, the effects were more pronounced than in young animals. In old rats, ketanserin reduced polarity of hepatocyte plasma and mitochondrial membranes in the area of protein-lipid contacts, which determined higher effectiveness of ketanserin during the treatment of liver cirrhosis in aged animals.

Relativistic Coupled-Cluster Calculations of Spectroscopic Properties of Copernicium and Flerovium Monoxides.

Calculations of spectroscopic properties of the CnO and FlO molecules are performed using ab initio all-electron 4c- and 2c-relativistic coupled-cluster approaches with single, double, and perturbative triple excitations. The corresponding calculation for HgO is also accomplished for comparison with the published data. The dependence of the results on the parameters of the basis set and approximations used is investigated in detail.