Raman spectroscopy of topotecan, an inhibitor of DNA topoisomerase I

Topotecan (TPT), a water-soluble derivative of camptothecin (inhibitor of human DNA topoiomerase I), has found wide application in cancer chemotherapy. The central problem in using topotecan is the presence of lactone rings in its molecules, which undergo hydrolysis at a physiological pH yielding an inactive and even toxic form of the drug. The analysis of Raman spectra of TPT in H₂O and D₂O solutions made it possible to assign the spectral bands to the vibrations of particular molecular groups. Spectral features indicative of the opening of the lactone rings of the TPT molecules, deprotonation of the hydroxyl groups in their quinoline fragments, and of possible participation of the hydroxyl and carbonyl groups in H bonding are found. The data obtained are necessary to study the molecular mechanisms of TPT-DNA interaction and the formation of ternary complexes between TPT, DNA, and DNA topoisomerase I.     

Black-hole horizon and metric singularity at the brane separating two sliding superfluids

An analogue of a black hole can be realized in the low-temperature laboratory. The horizon can be constructed for “relativistic” ripplons (surface waves) living on the brane. The brane is represented by the interface between two superfluid liquids, ³He-A and ³He-B, sliding along each other without friction. A similar experimental arrangement was recently used for the observation and investigation of the Kelvin-Helmholtz type of instability in superfluids [1]. The shear-flow instability in superfluids is characterized by two critical velocities. The lowest threshold measured in recent experiments [1] corresponds to the appearance of the ergoregion for ripplons. In the modified geometry, this will give rise to the black-hole event horizon in the effective metric experienced by ripplons. In the region behind the horizon, the brane vacuum is unstable due to interaction with the higher-dimensional world of bulk superfluids. The time of the development of instability can be made very long at low temperature. This will allow us to reach and investigate the second critical velocity—the proper Kelvin-Helmholtz instability threshold. The latter corresponds to the singularity inside the black hole, where the determinant of the effective metric becomes infinite.     

Towards Treating Correlations in Bose Condensates

 We use the adiabatic hyperspheric expansion and the Faddeev decomposition of the wave function with only s-waves. We derive for a fixed hyperradius an integro-differential equation for the angular eigenvalue and wave function. The correlations lower the interaction energy for N = 20 by about a factor of 5. Received October 22, 2001; accepted for publication November 5, 2001     

Navier-Stokes approximation and problems of the Chapman-Enskog projection for kinetic equations

The purpose of this paper is to investigate problems of the Navier-Stokes approximation to kinetic equations in terms of the so-called Chapman-Enskog projection. One considers properties of the Chapman-Enskog projection for the Cauchy problem for moment approximations of the kinetic equation and primarily the Chapman-Enskog projection for the Boltzmann-Peierls kinetic equation. The existence of the Chapman-Enskog projection for the Cauchy problem is proved for the phase space of conservative variables (phenomena of nonlinear diffusion) and for the phase space of physical variables (the second sound projection). __________ Translated from Trudy Seminara imeni I. G. Petrovskogo, No. 25, pp. 184–225, 2005.     

Semi‐analytical integration of the 8‐node plane element stiffness matrix using symbolic computation

The semi‐analytical integration of an 8‐node plane strain finite element stiffness matrix is presented in this work. The element is assumed to be super‐parametric, having straight sides. Before carrying out the integration, the integral expressions are classified into several groups, thus avoiding duplication of calculations. Symbolic manipulation and integration is used to obtain the basic formulae to evaluate the stiffness matrix. Then, the resulting expressions are postprocessed, optimized, and simplified in order to reduce the computation time. Maple symbolic‐manipulation software was used to generate the closed expressions and to develop the corresponding Fortran code. Comparisons between semi‐analytical integration and numerical integration were made. It was demonstrated that semi‐analytical integration required less CPU time than conventional numerical integration (using Gaussian‐Legendre quadrature) to obtain the stiffness matrix. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2006     

Co-Segregation Effects on Boundary Migration

We analyze the effect of co-segregation on the mobility of grain boundaries within the framework of the impurity drag theory originally proposed by Cahn and Lücke and Stüwe for an ideal solution. The new derivation extends this model to the case where there are two types of impurities (or three components in the alloy). Since the resultant expression for the boundary mobility is complicated, numerical solutions were obtained for several cases to show how co-segregation affects the boundary mobility. Depending on the relative diffusivities of the two impurities which are both attracted to the boundary, the mobility may either increase or decrease with increasing concentration of one of the impurities. When one of the impurities is attracted to the boundary and the other repelled from the boundary, increasing the concentration of the attractive impurity can lead to a sharp decrease in the boundary mobility.     

Ground-state energy of pionic hydrogen to one loop

We investigate the ground-state energy of the atom (pionic hydrogen) in the framework of QCD + QED. In particular, we evaluate the strong energy-level shift. We perform the calculation at next-to-leading order in the low-energy expansion in the framework of the relevant effective field theory. The result provides a relation between the strong energy shift and the pion-nucleon S-wave scattering lengths - evaluated in pure QCD - at next-to-leading order in isospin-breaking and in the low-energy expansion. We compare our result with available model calculations. Received: 11 June 2002 / Published online: 9 October 2002     

Expansion of monomer units in poly(ethylene terephthalate) molecules under conditions of thermal and zero-point atomic vibrations

The temperature dependence of the expansion ?_C of trans conformers of the carbon skeleton of macromolecules in crystallized and amorphous poly(ethylene terephthalate) (PET) due to zero-point and thermal atomic vibrations is investigated by IR spectroscopy. It is found that the thermal expansion coefficient β_C jumpwise increases at the characteristic temperatures T _t and T _b. This increase is associated with the crossover from the quantum to classical statistics of torsional and bending vibration modes. The quantum and classical contributions to the expansion ?_C are determined for each mode. The quantum and classical contributions of the torsional vibrational mode in the amorphous polymer are approximately 1.5 times larger than those in the crystallized polymer. This effect is caused by an increase in the anharmonicity of torsional vibrations in the amorphous polymer.     

Pion correlations and resonance effects in \bar{p}p annihilation to 4\pi^0 at rest

We study correlations in the exclusive reaction at rest with complete reconstruction of the kinematics for each event. The inclusive distribution is fairly flat at small invariant mass of the pion pair while a small enhancement in the double differential distribution is observed for small invariant masses of both pion pairs. Dynamical models with resonances in the final state are shown to be consistent with the data while the stochastic HBT mechanism is not supported by the present findings. Received: 26 February 2002 / Revised version: 22 July 2002 / Published online: 30 August 2002