Management of Hepatitis C Antiviral Therapy Adverse Effects

Hepatitis C is one of the leading causes of liver disease in the United States, affecting more than 4 million individuals. The current treatment regimen involves pegylated interferon in combination with ribavirin. Although antiviral treatment has been associated with a greater than 50% sustained viral response rate, the adverse effects have proven to be detrimental to quality of life and therapy adherence, and consequently lead to lower sustained viral response rates. This article identifies the most frequently described complications associated with pegylated interferon and ribavirin. The active management of these complications is discussed, including both preventive and empiric treatments

Symmetry properties in position and momentum space

Atomic and molecular symmetry properties for the wave functions and electronic densities in position and momentum spaces are compared. A systematic study of the correspondance of point groups in both spaces is made and examples of experiments of (e, 2e) spectroscopy performed on atoms or molecules are compiled. Simple guidelines for interpreting electron distribution patterns are presented which enable one to sketch the nuclear geometry from the knowledge of momentum maps and Fourier transform effects

Calculation of electronic structures of minerals: the apatites group as a relevant example

International audienc

Calculation of electronic structures of minerals: the apatites group as a relevant example

International audienc

Electronic structure of Li- and F- calculated directly in momentum space

International audienc

Electronic structure of Li- and F- calculated directly in momentum space

International audienc

Molecular Dynamics as a tool to interpret macroscopic amorphization-induced swelling in silicon carbide

We present here an investigation of the irradiation-induced swelling of SiC using Classical Molecular Dynamics simulations. Heavy ion irradiation has been assumed to affect the material in two steps: (a) creation of local atomic disorder, modeled by the introduction of extended amorphous areas with various sizes and shapes in a crystalline SiC sample at constant volume (b) induced swelling, determined through relaxation using Molecular Dynamics at constant pressure. This swelling has been computed as a function of the amorphous fraction introduced. Two different definitions of the amorphous fraction were introduced to enable meaningful comparisons of our calculations with experiments and elastic modeling. One definition based on the displacements relative to the ideal lattice positions was used to compare the Molecular Dynamics results with data from experiments combining ion implantations and channeled Rutherford Backscattering analyses. A second definition based on atomic coordination was used to compare the Molecular Dynamics results to those yielded by a simplified elastic model. The simulation results using the lattice-based definition of the amorphous fraction compare very well with the experimental results. This proves that the modeling in two steps chosen for the creation of the amorphous regions is reasonable. Moreover, the results show very clearly that SiC swelling does not scale linearly with the amorphous fraction introduced. Two swelling regimes are observed relatively to the size of the amorphous area. Comparison of the elastic model with the Molecular Dynamics results using the coordination-based definition of the amorphous fraction has also enabled us to shed light on the swelling mechanisms and has shown that amorphization-induced swelling exhibits an elastic behavior. Furthermore, scalings for the swelling as a function of the two amorphous fractions considered, which can be used by larger scale models, have been determined. Finally, our study shows that classical Molecular Dynamics calculations enable one to connect the results of the available experiments with the elastic calculations and to get further insight into the swelling mechanisms

Molecular Dynamics as a Tool to Interpret Macroscopic Amorphization-Induced Swelling in Silicon Carbide

International audienceThe evolution of structural and mechanical properties of materials in high-radiation environment is a significant issue in nuclear applications. In particular, irradiation-induced swelling has important consequences which can affect considerably the material performance. In this paper irradiation-induced swelling of SiC is investigated using classical molecular dynamics (CMD) simulations. Heavy ion irradiation has been assumed to affect the material in two steps (a) creation of local atomic disorder, (b) induced swelling. To mimic this irradiation extended amorphous areas with various sizes and shapes were first introduced in a crystalline SiC sample at constant volume. The resulting configurations were then relaxed using molecular dynamics at constant pressure. The induced swelling has been determined as a function of the amorphous fraction introduced. Two different definitions of the amorphous fraction were introduced to enable meaningful comparisons of our calculations with experiments and elastic modeling. One definition based on the displacements relative to the ideal lattice positions was used to compare the CMD results with data from experiments combining ion implantations and channeled Rutherford Backscattering analyses. A second definition based on atomic coordination was used to compare the CMD results to those yielded by an simplified elastic model. --The simulation results using the lattice-based definition of the amorphous fraction compare very well with the experimental results. This proves that the modeling in two steps chosen for the creation of the amorphous regions is reasonable. Moreover, the results show very clearly that SiC swelling does not scale linearly with the amorphous fraction introduced. Two swelling regimes are observed relatively to the size of the amorphous area. Comparison of the elastic model with the CMD results using the coordination-based definition of the amorphous fraction has also enabled us to shed light on the swelling mechanisms and has shown that amorphization-induced swelling exhibits an elastic behavior.--The results yielded by the use of two different definitions for the amorphous fraction introduced underlines the crucial importance of the definition of the amorphous state at the atomic scale. This definition must be precise and adapted to the phenomena investigated. Furthermore, scalings for the swelling as a function of the two amorphous fractions considered, which can be used by larger scale models, have been determined. Finally, our study shows that classical molecular dynamics calculations enable one to connect the results of the available experiments with the elastic calculations and to get further insight into the swelling mechanisms