Low-Molecular Pyrazine-Based DNA Binders: Physicochemical and Antimicrobial Properties

Pyrazine and its derivatives are a large group of compounds that exhibit broad biological activity, the changes of which can be easily detected by a substituent effect or a change in the functional group. The present studies combined theoretical research with the density functional theory (DFT) approach (B3LYP/6-311+G**) and experimental (potentiometric and spectrophotometric) analysis for a thorough understanding of the structure of chlorohydrazinopyrazine, its physicochemical and cytotoxic properties, and the site and nature of interaction with DNA. The obtained results indicated that 2-chloro-3-hydrazinopyrazine (2Cl3HP) displayed the highest affinity to DNA. Cytotoxicity studies revealed that the compound did not exhibit toxicity toward human dermal keratinocytes, which supported the potential application of 2Cl3HP in clinical use. The study also attempted to establish the possible equilibria occurring in the aqueous solution and, using both theoretical and experimental methods, clearly showed the hydrophilic nature of the compound. The experimental and theoretical results of the study confirmed the quality of the compound, as well as the appropriateness of the selected set of methods for similar research.     

Multitude of core-localized shear Alfvén waves in a high-temperature fusion plasma

Evidence is presented for a multitude of discrete frequency Alfvén waves in the core of magnetically confined high-temperature fusion plasmas. Multiple diagnostic instruments confirm wave excitation over a wide spatial range from the device size at the longest wavelengths down to the thermal ion Larmor radius. At the shortest scales, the poloidal wavelengths are comparable to the scale length of electrostatic drift wave turbulence. Theoretical analysis confirms a dominant interaction of the modes with particles in the thermal ion distribution traveling well below the Alfvén velocity.     

Equilibrated thermodesorption studies of adsorption of n-hexane and n-heptane on zeolites Y, ZSM-5 and ZSM-11

Gravimetric measurements of thermodesorption of n-hexane and n-heptane were performed under quasi-equilibrium conditions. Differential thermodesorption profiles for ZSM-5 and ZSM-11 showed two peaks, but for Y zeolites, only one thermodesorption peak was observed. A model function, derived from the Langmiur adsorption model, was fitted to the experimental data, and the model parameters (the adsorption entropy and enthalpy) were estimated. The two-step desorption profiles observed for ZSM-5 and ZSM-11 were attributed to the commensurate freezing effect, i.e. a transition in the adsorbed phase resulting in ordering of the adsorbed molecules in the zeolite channels. The results observed for ZSM-11 indicate that the zigzag channels typical for ZSM-5 micropore system are not necessary for this transition to occur.     

Copper and iron interactions with angiotensin-converting enzyme inhibitors. A study by fast-atom bombardment tandem mass spectrometry

Fast atom bombardment, combined with high-energy collision-induced tandem mass spectrometry, has been used to investigate gas-phase metal-ion interactions with captopril, enalaprilat and lisinopril, all angiotensin-converting enzyme inhibitors.Suggestions for the location of metal-binding sites are presented. For captopril, metal binding occurs most likely at both the sulphur and the nitrogen atom. For enalaprilat and lisinopril, binding preferably occurs at the amine nitrogen. Copyright 1999 John Wiley & Sons, Ltd.     

Quantum-classical correspondence for motion on a plane with deficit angle

A particle constrained to move on a cone and bound to its tip by harmonic oscillator and Coulomb-Kepler potentials is considered both in the classical as well as in the quantum formulations. The SU(2) coherent states are formally derived for the former model and used for showing some relations between closed classical orbits and quantum probability densities. Similar relations are shown for the Coulomb-Kepler problem. In both cases a perfect localization of the densities on the classical solutions is obtained even for low values of quantum numbers.     

Intense geodesic acousticlike modes driven by suprathermal ions in a tokamak plasma

Intense axisymmetric oscillations driven by suprathermal ions injected in the direction counter to the toroidal plasma current are observed in the DIII-D tokamak. The modes appear at nearly half the ideal geodesic acoustic mode frequency, in plasmas with comparable electron and ion temperatures and elevated magnetic safety factor (q_{min}>or=2). Strong bursting and frequency chirping are observed, concomitant with large (10%-15%) drops in the neutron emission. Large electron density fluctuations (n[over ]_{e}/n_{e} approximately 1.5%) are observed with no detectable electron temperature fluctuations, confirming a dominant compressional contribution to the pressure perturbation as predicted by kinetic theory. The observed mode frequency is consistent with a recent theoretical prediction for the energetic-particle-driven geodesic acoustic mode.