Identification of pyrrolo-pyridine derivatives as novel class of antibacterials

Molecular Diversity - A series of 5-oxo-4H-pyrrolo[3,2-b]pyridine derivatives was identified as novel class of highly potent antibacterial agents during an extensive large-scale high-throughput...     

Comparative analysis of cytotoxic effects and intracellular accumulation of platinum(IV) nitroxyl complexes

Russian Chemical Bulletin - The relationship between the lipophilicity, cytotoxic effects, and intracellular accumulation for potential antitumor agents, viz., amino complexes of platinum(IV) with...     

Nonlinear Dynamics and Stability of a Two D.O.F. Elastic/Elasto-Plastic Model System

The local and global nonlinear dynamics of a two-degree-of-freedom model system is studied. The undeflected model consists of an inverted T formed by three rigid bars, with the tips of the two horizontal bars supported on springs. The springs exhibit an elasto-plastic response, including the Bauschinger effect. The vertical rigid bar is subjected to a conservative (dead) or non-conservative (follower) force having static and periodic components. First, the method of multiple scales is used for the analysis of the local dynamics of the system with elastic springs. The attention is focused at modal interaction phenomena in weak excitation at primary resonance and in hard sub-harmonic excitation. Three different asymptotic expansions are utilised to get a structural response for typical ranges of excitation parameters. Numerical integration of the governing equations is then performed to validate results of asymptotic analysis in each case. A full global nonlinear dynamics analysis of the elasto-plastic system is performed to reveal the role of plastic deformations in the stability of this system. Static 'force-displacement' curves are plotted and the role of plastic deformations in the destabilisation of the system is discussed. Large-amplitude non-linear oscillations of the elasto-plastic system are studied, including the influence of material hardening and of static and sinusoidal components of the applied force. A practical method is proposed for the study of a non-conservative elasto-plastic system as a non-conservative elastic system with an 'equivalent' viscous damping. This revised version was published online in July 2006 with corrections to the Cover Date.     

Nonlinear Dynamics of Two-Degrees-of-Freedom Fluid Conveying Elasto-Visco-Plastic Model System

The local and global nonlinear dynamics of a two-degrees-of-freedom model system conveying fluid is studied. The undeflected model consistsof an inverted T formed by three rigid rods, with the tips of the twohorizontal rods resting on the viscous foundation. The foundationexhibits a visco-elasto-plastic response, including the Bauschingereffect. The vertical rigid rod of an annular cross-section is subjectedto a conservative (dead) force. Also, it conveys fluid having bothstatic and pulsation components. First, the method of multiple scales isused for the analysis of the local dynamics of the system withvisco-elastic response. Attention is focused on modal interactionphenomena in weak excitation at primary resonance and on hardsub-harmonic excitation. Two different asymptotic expansions areutilised to get a structural response for typical ranges of excitationparameters. Numerical integration of the governing equations is thenperformed to validate the results of asymptotic analysis in each case. Afull global nonlinear dynamics analysis of the visco-elasto-plasticsystem is performed. The role of plastic deformations in thedestabilisation of the system is discussed. Large-amplitude nonlinearoscillations of the visco-elasto-plastic system are studied, includingthe influence of material hardening and of static and periodiccomponents of pulsating fluid. Chaotic regimes of motion with andwithout plastic effects are considered. The results of the analysis maybe used in devices composed of a rather short tube connected to a notcompletely fixed foundation resting on the soil exhibitingelasto-plastic behaviour.     

Conversion of 3-benzoyl-1-methyl-4-phenyl-γ-piperidol by arylamines and arylhydrazines. Synthesis of 3-arylamino-1-oxo-1-phenylpropanes and 1,3-diarylpyrazoles and their fragmentation under electron impact

It has been established that on heating, 3-benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine is ring-opened in the presence of arylamines by a type of retroaldol reaction, with subsequent transamination of the intermediate Mannich base and the formation of 3-arylamino-1-oxo-1-phenylpropanes. When using arylhydrazines this γ-piperidol is recyclized with the formation of 1,3-diarylpyrazoles and their 4,5-dihydro derivatives. The mass spectral behavior of a series of 3-arylamino-substituted 1-phenylpropanones has been studied. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1486–1495, October, 2007.     

The identification of vicinally substituted cyclohexane isomers in their mixtures by 1H and 13C NMR spectroscopy

The radical addition reactions of organobromine compounds, XBr (X = CH2COOMe, PhCH2, CHBr2 and CCl3) with cyclohexene afforded mixtures of cis/trans isomer pairs of 1-X-2-Br-cyclohexanes. In addition to benzyl benzoyloxy derivatives are formed also, when benzoyl peroxide is used as an initiator. Owing to the great difficulties in separating these cis/trans isomer pairs, they are identified directly in their mixtures by NMR spectroscopy. In addition to one-dimensional (ID) 1H, proton decoupled 13C and DEPT-135, also two-dimensional (2D) 13C-13C INADEQUATE as well as 1H-13C HMQC experiments have been used in assigning the signals of each compound in their mixtures. The identification of each isomer was based on comparison of experimental 3J(H,H) coupling constants with theoretical ones based on the well-known Karplus type relationship. The more stable conformation for each isomer was estimated using the semiempirical AM1 molecular orbital method. The calculations support the isomer pair elucidations.     

Mass spectra of 2-thioacylaminothiazoles, 2-thioacylaminobenzothiazoles and their ‘fixed structure’ amino and imino tautomeric forms

The fragmentation patterns of the thioacyl derivatives of 2-aminothiazole and 2-aminobenzothiazole and of their ‘fixed structure’ imino and amino tautomeric forms give evidence of the predominance of the imino tautomer in the molecular ions of the trifluorothioacetyl compounds. On the other hand, the M⁺˙ ions of the thioacetyl and thiobenzoyl derivatives are mainly the amino tautomers. A rearrangement with elimination of RCN and formation of the 2-thiazolothione (2-benzothiazolothione) ion is characteristic for ail the compounds investigated. Additional evidence for the interpretation of the main fragmentation paths is provided by the mass spectra of the N-trideuteromethyl and N-deuterated derivatives, high-resolution mass spectrometry being used to determine the elemental composition of some selected peaks.     

Radioactive Waste Classification in the Russian Federation and the USA

Physics of Atomic Nuclei - Approaches to the system of radioactive waste classification in the USA and the Russian Federation were considered. The variety of sources of radioactive waste generation...     

First observation of electronic structure of the even parity boron acceptor states in diamond

We use electronic Raman scattering for studying the band structure of the ns$\mathrm{n}s$ boron acceptor states in diamond. For the first time, the spin–orbit splitting of these acceptor states and the 1s→ns$1s\to \mathrm{n}s$ Lyman series of transitions are observed. The spin–orbit splitting linearly increases with n number. Lyman series exhibit fine structure consisting of four bands each. The energy spacing between series is equal to ∼13 meV$\sim 13\text{meV}$. Evolution of Raman spectra of the boron-doped diamond with increasing boron concentration is shown. Mott transition is revealed in Raman spectrum. Correct values of Luttinger parameters for diamond are specified.