Apurinic DNA reactivity: Modelisation of apurinic DNA breakage with phenylhydrazine and formation of a pyrazole adduct

We have elucidated the exact mechanism of apurinic oligodeoxynucleotide d(Tp[AP]pT) cleavage by phenylhydrazine and shown that the final isolated product is in fact a 3-substituted derivative of 1-phenyl-pyrazole.     

Analytical and numerical study of natural convection heat transfer in an inclined composite enclosure

Laminar natural convection heat transfer in inclined fluid layers divided by a partition with finite thickness and conductivity is studied analytically and numerically. The governing equations for the fluid layers are solved analytically in the limit of a thin layered system with constant flux boundary conditions. The study covers of the range of Ra from 10³ to 10⁷, from 0° to 180° and the thermal conductivity ratio of partition to fluid ratioK from 10^–2 to 10⁶. The Prandtl number was 0.72 (for air). Results are obtained in terms of an overall Nusselt number as a function of Rayleigh number, angle of inclination of the system, mid layer thickness, and mid layer thermal conductivity. The critical Rayleigh number for the onset of convection in a bottom-heated horizontal system is predicted. The results are compared with the numerical results obtained by solving the complete system of governing equations, using SIMPLER method, as well as with the limiting cases in the literature.     

Template-directed excimer formation via specific non-covalent interactions between pyrene guanidinium derivatives and nucleic acids

Structurally distinct guanidinium derivatives were evaluated for their ability to interact non-covalently with various nucleic acid sequences. Among the evaluated derivatives, 4-[(pyrene-1-ylmethyl)amino]butyl] guanidinium (pbg) was found to demonstrate strong excimer emission upon nucleic acid addition and high levels of discrimination between ds- and ss-DNA. The intensity of excimer emission proved to be dependent on the length of the linker probe as well as the oligonucleotide length and sequence. In particular, G-quadruplex prone structures were found to induce the highest excimer emissions among all nucleic acids tested.     

Magnetic nanoparticle design for medical applications

Magnetic nanoparticles have attracted attention because of their current and potential usefulness as contrast agents for magnetic resonance imaging (MRI) or colloidal mediators for cancer magnetic hyperthermia. This contribution examines these in vivo applications through an understanding of the involved problems and the current and future possibilities for resolving them. A special emphasis is made on magnetic nanoparticle requirements from a physical viewpoint (e.g. relaxivity for MRI and specific absorption rate for hyperthermia), the factors affecting their biodistribution and the solutions envisaged for enhancing their half-life in the blood compartment and targeting tumour cells. Then, the synthesis strategies developed in our group are presented and focused on covalent platforms capable to be tailor-derivatised by surface molecular chemistry. The opportunity of using more complex oxides than conventional magnetite for controlling the in vivo temperature is also discussed.     

Strong Traces for Solutions of Multidimensional Scalar Conservation Laws

In this paper we consider multidimensional scalar conservation laws without BV estimates defined in a subset Ω??⁺×? ^d . We show that, with a non-degeneracy hypothesis on the flux, we can define a strong notion of trace at the boundary of Ω reached by L ¹ convergence.     

Equilibrium schemes for scalar conservation laws with stiff sources

We consider a simple model case of stiff source terms in hyperbolic conservation laws, namely, the case of scalar conservation laws with a zeroth order source with low regularity. It is well known that a direct treatment of the source term by finite volume schemes gives unsatisfactory results for both the reduced CFL condition and refined meshes required because of the lack of accuracy on equilibrium states. The source term should be taken into account in the upwinding and discretized at the nodes of the grid. In order to solve numerically the problem, we introduce a so-called equilibrium schemes with the properties that (i) the maximum principle holds true; (ii) discrete entropy inequalities are satisfied; (iii) steady state solutions of the problem are maintained. One of the difficulties in studying the convergence is that there are no estimates for this problem. We therefore introduce a kinetic interpretation of upwinding taking into account the source terms. Based on the kinetic formulation we give a new convergence proof that only uses property (ii) in order to ensure desired compactness framework for a family of approximate solutions and that relies on minimal assumptions. The computational efficiency of our equilibrium schemes is demonstrated by numerical tests that show that, in comparison with an usual upwind scheme, the corresponding equilibrium version is far more accurate. Furthermore, numerical computations show that equilibrium schemes enable us to treat efficiently the sources with singularities and oscillating coefficients.

     

Effect of curvature on interfacial segregation: Electronic contribution to the point defect/interface binding energy

The electronic contribution to the driving force for segregation to a curved interface between a cylindrical fiber of insulator embedded in a metal matrix is calculated. The solute/curved-interface binding energy is shown to vary as the inverse of the radius of curvature of the interface in the limit of a small radius. This result implies that the propensity for segregation of curved interfaces is larger than that of planar interfaces.