Vol. 52 No. 3 (247) (2018)

In this work, ab initio Hartree–Fock (RHF/6-311++G(d, p)) and density functional theory (B3PW91/6-311++G(d, p)) investigations on the potential energy surface (PES) and vibrational spectra of diethyl sulfone have been performed. It was found, that diethyl sulfone exists as an equilibrium mixture of four interconverting rotational isomers. The accurate energies of the four minima and the five saddle points located on PES were determined at the above mentioned levels of calculation. The relative populations of the stationary points found have been calculated using Boltzmann distribution law, considering the degeneracy of states. The theoretical IR spectra calculations for all stationary points on the PES have been done as well.

On the basis of natural L-carvone monoterpenoide, a method for the synthesis of (5R)-2-methyl-5-(3-{4-[(azepan-1-yl)methyl]-1H-1,2,3-triazol-1-yl}prop-1-en-2-yl)cyclohex-2-en-1-one has been developed. The reaction conditions providing high yields of the target products were optimized. The structure of the synthesized compound has been confirmed and the physicochemical constants have been determined. The nature of the interaction and the thermodynamic characteristics of the 1,2,3-triazolyl-carvone with serum albumin (BSA) have been also determined. It has been shown that hydrophobic interactions are the predominant intermolecular forces stabilizing 1,2,3-triazolyl-carvone–BSA system. The distance between donor (BSA) and acceptor (1,2,3-triazolyl-carvone) has been calculated using Förster’s fluorescence energy transfer theory.

Adsorption of anionic surfactant sodium dodecyl sulfate and cationic surfactant cetyltrimethylammonium bromide from aqueous solution on bentonite was studied. A series of batch experiments were performed to obtain sorption isotherms of surfactants on bentonite. Furthermore, the isotherm parameters were calculated. Other factors influencing the adsorption effectiveness (contact time, adsorbent amount and initial surfactant concentration) were also determined.

With the advances in the technology used to generate ozone, it is becoming more affordable to install and cheap to operate in water and wastewater treatment processes. Typically an ozone installation will pay for itself over 12 months in chlorine savings. In this paper the oxidation process of industrial wastewater treatment is studied and the effects of such a system on color removal and algae elimination are discussed in details. Ozone is highly unstable and must be generated on site. Its oxidation potential (2.07 V) is greater than that of hypochlous acid (1.49 V) or chlorine (1.36 V), and therefore it leads to much more efficient results in color removal as well as algae elimination in comparison with other alternatives in specific wastewater treatment systems.

Based on available reagents: tetrahydrofurfuryl alcohol and tetrahydrofuran, the technologically easily implemented method of synthesis of the active component of the sex pheromone of Oriental Fruit Moth Grapholitha Molesta with predominant content of (Z)-dodec-8-enyl acetate by two synthon C₈+C₄ scheme was developed. The condensation stage of C₄ and C₈ was performed in the presence of dilithium tetrachlorocuprate.

Hyperglycemia is the major risk factor for atherosclerosis and cardiovascular diseases, which is associated with several cardio-metabolic risk factors such as diabetes, hypercholesterolemia and high blood pressure. The antihyperglycemic properties of the herbal mixture (HM) from Salvia officinalis L., Calendula officinalis Linn., Glycyrrhizae radix L. and Echinacea purpurea L. in rabbits with hyperglycemia induced by immobilization stress have been evaluated, hypoglycemic activity, improved lipid profile and body weight, to restore liver and muscle glycogen levels by HM aqueous extract were revealed.

In this work the influence of millimeter range electromagnetic waves (MM EMW) on some important physical-chemical parameters of erythrocyte (ER) of rat blood has been studied. Тhe change of these parameters is directly connected with aggregation of ER. It was shown that the irradiation of MM EMW by 51.8 GHz frequency results in decreasing of the absolute value of the surface charge density of ER, moreover, the acidic hemolysis of ER fastens. It was also shown that under the influence of MM EMW the decrease of ER density in suspension occurs along with their concentration enhancement. It was concluded that MM EMW is a factor, which contributes to the aggregation of ER.

During the studies of micromycetes-decomposers of Kapan City and its surrounding, 32 species of fungi were detected, 8 of which belong to Zygomycetes and 24 belong to Ascomycetes classes. In the studied soils there were widespread species of genus Penicillium (9), Aspergillus (8) and representatives of mucoral fungi (8 species).

The aim of the present study was the assessment of soil pollution by some potentially toxic trace elements in the environs of Akhtala Mining and Processing Enterprise and related environmental risks. The study was implemented in 2018. The level of soil contamination with trace elements was assessed by Enrichment factor, which is widely used as a contamination index. The study revealed that the soils, almost in all studied sites, were polluted by Cu, Pb, Zn, Co and Ni. From all trace elements studied the highest contents compared with background were observed for copper. Such situation is conditioned by anthropogenic factor, in particular, by mining activities since copper is the main metal extracted in Akhtala Mining and Processing Enterprise.

Agricultural risks of mineral salt (Ca²⁺, Mg²⁺, K⁺, Na⁺, SO₄^2- , Cl^- , CO₃^2- , HCO₃^- ) content in the water of the Voghji River catchment basin were assessed. Water sampling and hydrochemical analyses were implemented in July and September 2017. The results of the study showed that anthropogenic salt level in the Voghji River water site located downstream from Kapan Town and in the area of the Norashenik River mouth may have posed serious health risks to irrigated soils and crops.