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.     

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.     

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.     

Stoner-Wohlfarth-type behavior of a close-packed array of high-anisotropy hexaferrite nanoparticles

Magnetization and remagnetization processes in a close-packed nanodispersed barium hexaferrite powder sample in the magnetically stable state were analyzed. Reversibility effects were discussed in terms of interparticle interaction. Judging from the magnetization curve and the parameters characterizing remagnetization irreversibility, the sample under study is a model system of small Stoner-Wohlfarth particles.     

Polyhedral <Emphasis Type="Italic">K</Emphasis><Subscript><Emphasis Type="Italic">2</Emphasis></Subscript>

 Using elementary graded automorphisms of polytopal algebras (essentially the coordinate rings of projective toric varieties) polyhedral versions of the group of elementary matrices and the Steinberg and Milnor groups are defined. They coincide with the usual K-theoretic groups in the special case when the polytope is a unit simplex and can be thought of as compact/polytopal substitutes for the tame automorphism groups of polynomial algebras. Relative to the classical case, many new aspects have to be taken into account. We describe these groups explicitly when the underlying polytope is 2-dimensional. Already this low-dimensional case provides interesting classes of groups. Received: 13 December 2001 / Revised version: 24 June 2002 The second author was supported by the Deutsche Forschungsgemeinschaft, INTAS grant 99-00817 and TMR grant ERB FMRX CT-97-0107 Mathematics Subject Classification (2000): 14L27, 14M25, 19C09, 52B20     

Singularity conjecture and constructions of Jacobi forms

This paper verifies the singularity conjecture for Jacobi forms with higher degree in some typical cases, and gives constructions for the Jacobi cusp forms whose Fourier coefficients can be expressed by some kind of Rankin-typeL-series.     

Instability of quark matter core in a compact newborn neutron star with moderately strong magnetic field

It is explicitly shown that if phase transition occurs at the core of a newborn neutron star with moderately strong magnetic field strength, which populates only the electron’s Landau levels, then in the β -equilibrium condition, the quark core is energetically much more unstable than the neutron matter of identical physical condition.     

Coherence properties of the supercontinuum source

Mutual–temporal coherence of the supercontinuum (SC) generation has been experimentally investigated using a diffraction grating based interferometer. A broadband SC generation was produced in a pyrex glass plate with a 1.6-μm coherence length at 550-nm center wavelength. The degree of mutual coherence of 0.34 was measured for a wavefront shift for zero and first diffraction orders of half of the beam diameter. A design of SC source with the capability of manipulating the amplitudes and phases of optical frequency components within the SC pulse is presented for coherence applications.     

Dynamic holograms and optical limiting: Asymmetric two-wave interactions

The conditions for obtaining a high efficiency of energy exchange upon two-wave interactions in dynamic holograms are found by analysis and numerical simulation of a system of nonlinear equations. Use of an asymmetric scheme of beam interaction in a medium with two nonlinearities, one of which determines the amplitude and relaxation time of a grating and the other of which provides phase modulation of the interacting beams, is proposed. It is shown that such a scheme in combination with the specific properties of a medium makes it possible to radically reduce the requirements for the nonlinearity of a medium and the intensity of a light flux in limiting systems, as well as to significantly decrease the time of the transition process. As a result, it becomes possible to attain an efficiency of energy transfer higher than 90% and to increase the corresponding attenuation of a high-power beam by almost two orders of magnitude, which is of interest for optical limiting of intense light fluxes.