Unperturbed dimensions of cyclochain polymers

The conformational parameters of three polyoxadiazoles were calculated by a direct computer simulation assuming free rotation about virtual bonds. The results obtained proved to be close to those derived from viscosity and sedimentation experiments.     

Theoretical study of the shifts of electronic spectra from solute-solvent interaction

Previous theories of spectral solvent shifts are briefly discussed. The basic dipole approximation is analyzed both theoretically and in relation to experimental information. On account of the restricted validity of this approximation — especially for molecules consisting of several polar groups — another, electrostatic model, originating from the Born charging, is investigated. This model is applied to semi-empirical PPP-calculations of spectral solvent shifts of some quinones. Among other things, this model predicts that not only n → π⁸ transitions may be blue shifted but also certain π → π* transitions. When the electrostatic effect is small, other terms may be responsible for the solvent shift, e.g. polarizability. The cavity effect is not expected to be important in the present context.     

Influence of Voluminous Substituents in Polyimides on Their Physical Properties

Seven series of polyimides have been analyzed and compared with regard to the correlation between their conformational rigidity parameters, such as the Kuhn segment, the characteristic ratio, the Van der Waals volume and free volume, and some physical properties, such as glass transition temperature, dielectric permittivity, and permeability to different gases. This review concentrates on the author's own work, placed in the context of the broader field. The conformational rigidity parameters were calculated by using the Monte Carlo method, while the values of physical properties were taken from published articles.     

On the effect of damping on the stabilization of mechanical systems via parametric excitation

The effect of damping on the re-stabilization of statically unstable linear Hamiltonian systems, performed via parametric excitation, is studied. A general multi-degree-of-freedom mechanical system is considered, close to a divergence point, at which a mode is incipiently stable and n ? 1 modes are (marginally) stable. The asymptotic dynamics of system is studied via the Multiple Scale Method, which supplies amplitude modulation equations ruling the slow flow. Several resonances between the excitation and the natural frequencies, of direct 1:1, 1:2, 2:1, or sum and difference combination types, are studied. The algorithm calls for using integer or fractional asymptotic power expansions and performing nonstandard steps. It is found that a slight damping is able to increase the performances of the control system, but only far from resonance. Results relevant to a sample system are compared with numerical findings based on the Floquet theory.     

Major- and trace-element distribution in cigarette tobacco,ash and filters

Journal of Radioanalytical and Nuclear Chemistry - To evidence the efficiency of cigarette filter we have determined the content of 27 major and trace elements in two brands of filter and...     

Study on the reactions of 4-amino-5-nitro-6-phenylethynylpyrimidines with amines and thiols

Reactions of 4-amino-5-nitro-6-phenylethynylpyrimidines with amines and thiols have been investigated. Pyridine catalyzes rearrangement of the title compounds into 6-phenyl-7-oxo-7H-pyrrolo[3,2-d]pyrimidine-5-oxides. Primary and secondary amines and thiols take part in a regio- and stereoselective addition reaction to the triple bond of 5-nitro-6-phenylethynylpyrimidines to form the corresponding syn-addition (in the case of secondary amines) or anti-addition (in the case of primary amines or thiols) products.     

Bioassay-directed chemical analysis utilizing LC–MS: a tool for identifying estrogenic compounds in water samples?

A bioassay-directed chemical analysis (BDCA) scheme has been developed which combines a yeast screen for estrogenic activity with LC–MS detection after liquid–liquid extraction and fractionation by size exclusion chromatography. Focusing on sewage-treatment plant (STP) effluents, the approach aims at characterizing the substances responsible for estrogenic effects in aquatic systems. Initial results show a strong response of STP effluent extracts in the yeast screen. Estrone, bisphenol A, and nonylphenol have been identified as substances being partly responsible for observed estrogenic activity. However, confirmation experiments with synthetic samples revealed that the estrogenic effect potentials of the samples could not be completely assigned to specific compounds. Further improvement of the limits of detection of the analytical scheme is needed to enable identification and quantification of potent estrogenic compounds at low concentrations.