Electron-impact mass spectra of natural phenylethanoids

The electron-impact mass spectra of a number of phenylpropanoids and iridoid glycosides containing a phenylethanoid fragment in their structure have been studied. This has revealed features of the formation of fragments of 4-hydroxyphenylethyl and 3,4-dihydroxyphenylethyl alcohols and also of fragments of phenylethylamine and indolylethylamine derivatives present in the structures of the compounds investigated.     

Isolation of phospholipase A2 from the venom of the green toadBufo viridis

Phospholipase A₂ has been isolated fromthe venom of he Central Asian green toad Bufo viridis in the electroophoretically homogeneous state for the first time by biospecific absorption chromatography. The affinity sorbent used was Affi-Gel 10 with covalently bound phosphatidylserine (PDS). The chemical inertness of the bound PDS to the hydrolytic action of phospholipase A2 and its high tendency to form biospecific complexes have been shown. Some biochemical characteristics of the enzyme isolated have been studied: influence of the pH and of the Ca²⁺ concentration and dependence of activity on substrate concentration.A. S. Sadykov Institute of Bioorganic Chemistry, Academy of Sciences of the Republic of Uzbekistan, Tashkent, fax 627071. Tashkent State University, fax 462472. Translated from Khimiya Prirodnykh Soedinenii, No. 1, pp. 105–109, January–February, 1994.     

An investigation of the membranotropic properties of the plant toxin thionin isolated fromPyrularia pubera

It has been shown by the ESR of spin probes that thionin initially interacts with with negatively charged membranes electrostatically and then passes into the membranes to a depth comparable with the length of the hydrophobic sections of the protein loops.Institute of Bioorganic Chemistry, Academy of Sciences of the Republic of Uzbekistan, Tashkent. Brigham Young University, Provo, Utah, USA. Translated from Khimiya Prirodnykh Soedinenii, No. 4, pp. 594–597, July–August, 1993.     

Energy levels of small titanium oxide clusters obtained from SCF calculations

The energy levels of small titanium oxide clusters [(TiO₂)₂, and (TiO₂H)₃, and (TiO₂H)₂] have been calculated using ab initio SCF methods. Both crystal and relaxed geometries have been considered. Systematic changes in the valencelevel structure resulting from geometry relaxation are found, which may be related to band-gap changes experimentally observed for small titanium oxide particles. In addition, a Ti? OH local surface state is found to be well described within a limited cluster model. © 1994 John Wiley & Sons, Inc.     

Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations

A set of exact conditions is compiled for the purpose of developing and testing approximations for the exchange-correlation energy as a functional of the electron density. Special emphasis is placed upon recently developed density-scaling relationships. Commonly used generalized gradient approximations are compared against several of these conditions. A direct tabular comparison of these functionals (not of calculated properties) with one another is also made. © 1994 John Wiley & Sons, Inc.