Chemistry Journal of Moldova. General, Industrial and Ecological Chemistry

21-26

Authors: Maria Sandu, Anatol Tarita, Raisa Lozan, Natalia Zgircu, Elena Mosanu, Tatiana Goreacioc, Alexandru Zlotea, Anna Comarnitchi, Iulia Sidoren, Sergiu Turcan, Adrian Tarita

The research results have marked a low value of the self-purification capacity for Beleu Lake water, between 0.12 and 0.19, which is of 1.2-2 times smaller than the one from Prut River (0.25), correlating positively with the values of BOD5, COD-Cr and the time of biochemical oxidation of ammonium ions. The evolution of stage NH4+(NH3) → NO2- in the process of nitrification in lake water in November 2014 takes place about 25 days and the process NO2- → NO3- is more than 35 days, the duration about 2 times higher than in lake water stages from 2015 and 2.8-3.0 times higher than that of the model with water from Prut River.

33-38

Authors: Haruka Dote, Hiroki Yasuhara, Satoru Nakashima

Several types of crystals having different color appeared in the synthesis of assembled complex of mixed crystals with three metals. [H2(bpp)][M(NCS)4] changed to 1D chain polymer (M(NCS)2(bpp)) by releasing HNCS from the cation and anion in a reaction vessel.

50-54

Authors: Elena Secara

Synthesis of new drimane and homodrimane lactams, derivatives of octahydro-1H-benzo[d]azepine and octahydro-1H-benzo[c]azepine, from norambreinolide is reported. These compounds were prepared by Beckmann rearrangement of the corresponding ketooximes.

61-68

Authors: Rajaa Khedir Al-Yasari

DFT method has been carried out to study the substitution effects of NO2 group on the electronic (ionization potential, electron affinity, electronegativity, hardness, softness and electrophilicity index) and IR spectral properties of biphenyl and derivative molecules by using the B3LYP functional and the 3-21G basis set, as well as the optimization structure. The calculated values of HOMO and LUMO energies, as well as predicted by ChemBioDraw program 1H and 13C NMR spectra for the studied compounds are in a good agreement with experimental data.

74-85

Authors: Abdulfatai Siaka, Adamu Uzairu, Sulaiman Idris, Hamza Abba

Thermodynamic and kinetic mechanisms of forming six semicarbazones have been investigated computationally by DFT B3LYP method. All the reactions proceed via two transitions and include two consecutive steps: bimolecular and unimolecular. The computed transition steps have varying equilibrium constants values, enthalpy of activation and Gibbs energy of activation, depending on the semicarbazone involved.

91-96

Authors: Daryna Haliarnik, Oleg Petuhov, Olga Bakalinska, Tudor Lupascu, Mykola Kartel

The catalytic activities of nanoporous carbon materials, their modified forms and enzyme catalase was determined by calculation of Michaelis constants according to the kinetics of substrate decomposition. It is found that the catalytic activity of studied samples correlated with surface basicity and presence of quaternary nitrogen groups in structure.