Prognostication of aging of polymeric composite materials

Experimental data demonstrate that a study of accelerated aging can enable prognostication of the working capacity and storage life of polymeric formulations used in aircraft components on the basis of changes in thermogravimetric constants of these polymeric formulations.     

Two-color resonance photoionization spectrum of nickelocene in a supersonic jet

Two-color photoionization of nickelocene molecules cooled in a supersonic jet is performed using a tunable nanosecond pulsed laser. The first stage of the multiphoton excitation is the transition from the highest occupied molecular orbital of nickelocene to the lowest Rydberg level. Conditions are found under which molecular ions (η ⁵-C₅H₅)₂Ni⁺ are the only product of the multiphoton ionization in the one-color experiment. Irradiation of an excited molecule by an intense pulse of another laser increases significantly the yield of molecular ions. The dependence of the yield of (η⁵-C₅H₅)₂Ni⁺ ions on the frequency of the second laser makes it possible to determine the adiabatic ionization potential of nickelocene as 6.138±0.012eV.     

Synthesis and investigation of titanium diselenide intercalated with ferrocene and cobaltocene

Single crystals and polycrystals of titanium diselenide TiSe₂ intercalated with ferrocene Fe(η⁵-C₅H₅)₂ and cobaltocene Co(η⁵-C₅H₅)₂ are synthesized. The magnetic susceptibility and electrical resistivity of the intercalation compounds are measured. The results obtained demonstrate that the intercalation brings about the formation of an impurity band with a temperature-dependent width.     

Solubility and Stability of Peroxo Solvates KF·nH2O2 in Organic and Aqueous-Organic Media

The solubility and stability of the peroxo solvates KF·nH₂O₂ (n 1) and disinfectants based on them was studied in organic and aqueous-organic solvents. Polyhydric alcohols (glycerol and ethylene glycol) and Tosol (commercial antifreeze) were used as solvents.     

Methyl transfer in glycine N-methyltransferase. A theoretical study

Density functional theory calculations using the hybrid functional B3LYP have been performed to study the methyl transfer step in glycine N-methyltransferase (GNMT). This enzyme catalyzes the S-adenosyl-L-methionine (SAM)-dependent methylation of glycine to form sarcosine. The starting point for the calculations is the recent X-ray crystal structure of GNMT complexed with SAM and acetate. Several quantum chemical models with different sizes, employing up to 98 atoms, were used. The calculations demonstrate that the suggested mechanism, where the methyl group is transferred in a single S(N)2 step, is thermodynamically plausible. By adding or eliminating various groups at the active site, it was furthermore demonstrated that hydrogen bonds to the amino group of the glycine substrate lower the reaction barrier, while hydrogen bonds to the carboxylate group raise the barrier.