Calculation of chemical shifts in the13C NMR spectra of uncharged molecules and their π-dianions

Physics Institute, Academy of Sciences of the Belorussian SSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 2, pp. 70–76, March–April, 1990.     

Influence of the Reactivity of the Thermosetting Component in the Resol Resin/Ethylene Glycol System on the Properties of Pyrolyzates

Russian Journal of Applied Chemistry - Properties of pyrolyzates with the developed porous structure, prepared in the system consisting of phenol–formaldehyde resol resin and ethylene glycol...     

1H NMR study of multiply charged anions of Ni-octaethylporphin

An analysis of¹H NMR spectra of reduced Ni-octaethylporphin (NiOEP)ⁿ⁻ n=2,3) complexes has allowed the conclusion that the first and third excess electrons are localized on orbitals of the porphyrin ligand, while the first excess electron is on the d_x ²-y²-orbital of Ni. This is a basis for thinking that in the course of NiOEP reduction the energy of the lowest unoccupied molecular orbital of the ligand becomes smaller than that of the d_x ²-y²-orbital of nickel. Institute of Molecular and Atomic Physics of the Academy of Sciences of Belarus, 70, F. Skorina Ave., Minsk, 220072, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 4, pp. 513–517, July–August, 1997.     

The Electronic Structure of Transient Species in the Photochemical Reduction of Porphyrins

Studies on the electronic structure of -radical anions and -dianions of Zn porphyrins, Zn chlorins, -anions of Zn phlorins, and porphodimethenes by electronic absorption spectroscopy, luminescence, picosecond spectroscopy, ESR, NMR, IR, and Raman spectroscopy are briefly surveyed. The experimental data are compared with the results of quantum-chemical calculations. The electronic structure of M-anions with an excess charge on the central ion of a transition metal (Fe, Ni, Co, and Pd) is discussed.     

Determinants of Pathology in Light-irradiated Cells

This work is devoted to further evaluation of pathological states in light-irradiated cells in terms of relationship between the level of reactive oxygen species (ROS) and polymorphonuclear neutrophil (PMN) count. Human leukocytes were isolated from 34 donors exhibiting flu-like symptoms, irradiated with a nonlaser blue light (2 and 5 mW cm⁻²) and examined for ROS production by a chemiluminescence (CL) assay. The level of ROS was measured as a basal chemiluminescence before (BCL0) and after (BCL) irradiation. In our preceding study (Sinyakov, M. et al. [2007] Photomed. Laser Surg. 25 , 257–263), PMN-oriented group analysis was applied to a data set divided into light-resistant and light-sensitive points, and cell responsiveness to light was suggested for prognostic evaluation of pathology. In the present work, BCL-oriented analysis was performed on the whole data set to evaluate the individual contribution of every point. BCL level and PMN count were confirmed to be independent variables. Sign-specific delta (DEL) values (DEL = BCL − BCL0) were assessed in relation to respective levels of BCL, BCL0 and PMN counts. DEL and BCL0 were found to be reliable photochemical indices of pathology. Taken together, the results obtained from group and individual analyses provide a novel outlook on the dynamics of pathological development and indicate a promising potential of the assay as a fast discriminator between the nonpathological state and different levels of pathology.     

Insertion of ethyl isothiocyanate into tungsten hexachloride: Crystal structure of ethyl-(4-ethyl-5-thioxo[1.2.4]dithiazolidin-3-ylidene)ammonium oxopentachlorotungstate(VI)

A product of the insertion of two isothiocyanate molecules into the same W-Cl bond, namely, W-Cl-WCl₅{N(Et)C(S)N(Et)C(S)Cl} (I), is synthesized by the reaction of WCl₆ with EtNCS in a dichloroethane solution. The hydrolysis of compound I results in the formation of single crystals of the complex . The structure of crystals II is determined using X-ray diffraction. It is demonstrated that structural units of crystals II are the [W^VIOCl₅]^? anionic complexes and the ethyl-(4-ethyl-5-thioxo[1.2.4]dithiazolidin-3-ylidene)ammonium cations.