Microstructure determination of poly-(1,3-pentadiene) by a combination of infrared, 60-MHz NMR, 300-MHz NMR,and X-ray diffraction spectroscopy

A quantitative procedure has been developed for characterizing the complete microstructure of polymers of 1,3-pentadiene, including the tacticity of any crystalline component. This can be accomplished by a combination of infrared spectroscopy, X-ray crystallinity, and 300-MHz NMR spectroscopy. A series of high structural purity polymers were synthesized with a series of previously unreported mixed microstructures. These samples were characterized by using the three techniques mentioned, including the previously unreported 300-MHz NMR data. With those results a 60-MHz NMR/IR method of spectroscopy was developed to determine the composition of poly(1,3-pentadiene)s in terms of percent cis-1,2-, cis-1,4-, trans-1,4-, and 3,4-pentadiene units.     

The MC SCF theory: Method of one-electron Hamiltonian

The one-electron Hamiltonian method is developed to solve the variational equations of the MC SCF theory. The many-parameter family of the one-electron Hamiltonian is derived and conditions for parameters to provide convergence of the SCF procedure to the energy minimum are obtained. A computation scheme based on the use of the one-electron Hamiltonian is described.     

Studies in the furan series

A study was made of certain transformations of the bicyclic compounds of the fur an series synthesized from 3,4-bis(chloromethyl)furan, N-butyl-4H, 6H-furo [3,4-c]pyrrole and 4H,6H-thieno[3,4-c]furan. On the basis of the same dichloride, 3,4-dimethyl furan and furan-3,4-dialdehyde were synthesized.For part XLVI, see [10].     

A Study of Viscosity in the Extraction System Constituted by Tributyl Phosphate and Phosphoric Acid

Data on the kinematic viscosity of phosphoric acid solutions in technical-grade tributyl phosphate and in an industrial extract from a technological purification system based on tributyl phosphate, which contain 0–18% phosphoric acid in terms of P₂O₅, at 10–70°C are presented.     

Analytical and radioanalytical quality control of purity and stability of radiopharmaceutical compound [186gRe]Re-HEDP for bone metastases pain palliation

Summary The nuclear properties of ^186gRe make it a useful agent for radionuclide therapy and imaging. The coordination compound [^186gRe]Re-HEDP has proved to be a successful bone seeking agent for palliation of metastatic bone pain. Chemical, radiochemical and radionuclidic purity of commercial radiopharmaceutical [^186gRe]Re-HEDP have been checked by means by γ- and β-spectrometries, INAA and paper radio-chromatography. The results indicate a good radionuclidic purity, with levels of contamination from the short-lived ¹⁸⁸Re well below the required specifications. After injection of the radiopharmaceutical, the radiochemical measurements conducted in vivo, on biological matrices, blood, plasma and urine, have shown that, entering the systemic circulation, ^186gRe dissociates from the bis-phosphonate complex as hydrosoluble [^186gRe]ReO₄-, and the two chemical species follow different biokinetics.     

Calculation of accurate permanent dipole moments of the lowest 1,3Sigma+ states of heteronuclear alkali dimers using extended basis sets

Obtaining ultracold samples of dipolar molecules is a current challenge which requires an accurate knowledge of their electronic properties to guide the ongoing experiments. In this paper, we systematically investigate the ground state and the lowest triplet state of mixed alkali dimers (involving Li, Na, K, Rb, Cs) using a standard quantum chemistry approach based on pseudopotentials for atomic core representation, Gaussian basis sets, and effective terms for core polarization effects. We emphasize on the convergence of the results for permanent dipole moments regarding the size of the Gaussian basis set, and we discuss their predicted accuracy by comparing to other theoretical calculations or available experimental values. We also revisit the difficulty to compare computed potential curves among published papers, due to the differences in the modelization of core-core interaction.     

Thiophene conversion in the BIMF process

Catalytic conversion of an oil distillate with the added extra amounts of thiophene over a zeolite catalyst was studied. The rate of the catalyst deactivation was found to increase with the increase in the thiophene concentration in the feed. A possible pathway of the thiophene conversion is discussed.     

The effect of chlorides on alginate gelation in the presence of calcium sulfate

The preparation of the alginate-CaSO₄-KCl/NH₄Cl gel phases is described. Dispersion of calcium sulfate in solutions with a low chloride content is found to lead to the formation of homogeneous alginate gels. The dependences of mechanical and absorptive properties of the gels on the chloride concentration are studied, and a possibility of practical application of the compositions thus prepared is shown. The effect of the KCl and NH₄Cl additives on gelation is explained by attainment of the optimal rate of CaSO₄ dissolution, which favors uniform distribution of Ca²⁺ cations in the bulk of the arising gel structure.     

Flavonoids ofGnaphalium uliginosum

The herb low cudweed has yielded for the first time a new acylated flavone glycoside, for which the structure of 3,4,5,7-tetrahydroxy-6-methoxyflavone 7-O-(6-O-caffeyl--D-glucopyranoside) has been established. In addition, 6-methoxyluteolin, 6-hydroxyluteolin 7-O--D-glucopyranoside, and scutellarein 7-O--D-glucopyranoside have been isolated. Identification was made on the basis of UV, IR, PMR, and mass spectra, the products of alkaline and acid hydrolyses, and the results of elementary analyses, melting points, and specific rotations.Vitebsk State Medical Institute, All-Union Scientific-Research Institute of Medicinal Plants, Moscow. Translated from Khimiya Prirodnykh Soedinenii, No. 4, pp. 483–487, July–August, 1979.     

The role of surface oxides in formic acid oxidation on Au

Compared to Pt or Pd electrodes, Au is a poor catalyst for the direct anodic oxidation of HCOOH, but the formation of Au surface oxides in acidic solutions is accompanied by a fast oxidation of HCOOH. This fast reaction is not simply a secondary reaction of Au surface oxides since those oxides are kinetically stable in HCOOH solutions. They do oxidize HCOOH only via a slow and purely electrochemical process which occurs on free Au sites and is “driven” by oxide reduction. The fast HCOOH oxidation is due to a highly reactive intermediate which is able either to form stable Au oxides Au_nO_m or to react with HCOOH. Our results are consistent with the model that by the charge transfer step a reactive non-equilibrium {Au…O> species is formed which converts to stable equilibrium oxides Au_nO_m after migration and rearrangement steps. Pre-equilibrium <Au…O> oxidizes HCOOH and this oxidation is of lower order with respect to <Au…O> compared with the formation of Au_nO_m.