matscipy : materials science at the atomic scale with Python

Behaviour of materials is governed by physical phenomena that occur at an extreme range of length and time scales. Computational modelling requires multiscale approaches. Simulation techniques operating on the atomic scale serve as a foundation for such approaches, providing necessary parameters for upper-scale models. The physical models employed for atomic simulations can vary from electronic structure calculations to empirical force fields. However, construction, manipulation and analysis of atomic systems are independent of the given physical model but dependent on the specific application. matscipy implements such tools for applications in materials science, including fracture, plasticity, tribology and electrochemistry

Lutte raisonnée contre la pyrale du maïs. Une phéromone de synthèse peut-elle séduire les mâles de pyrale de maïs ?

National audienc

Evaluation qualitative et quantitative de la diffusion de molécules volatiles utilisées en confusion sexuelle contre la sésamie du maïs

National audienc

Correlation between drug-resistance gene mutations and hepatocellular carcinoma in patients with hepatitis B virus infection

ObjectiveTo investigate the correlation between hepatitis B virus (HBV) drug-resistance gene mutations and hepatocellular carcinoma (HCC). MethodsThe clinical data of treatment-experienced patients, who underwent examination for HBV drug-resistance gene mutations in Beijing Ditan Hospital from January 1 to December 31, 2013, and still had detectable HBV DNA after being treated with nucleos(t)ide analogues, were collected. All the patients were followed up, and the development of HCC was considered as the clinical outcome. The correlation between drug-resistance gene mutations and the development of HCC in patients with HBV infection was analyzed. The chi-square test was used for comparison of categorical between groups, the t-test was used for comparison of continuous data between two groups, and the log-rank test was used for comparison of the incidence of HCC between two groups. ResultsA total of 227 patients were enrolled in this study. According to the results of the detection of HBV drug-resistance gene mutations, 103 patients (103/227, 45.37%) had no drug-resistance gene mutations and 124 (124/227, 54.63%) had drug-resistance gene mutations. There were no significant differences between the mutation group and the non-mutation group in HBV DNA load (5.19±1.60 log10IU/ml vs 5.44±1.75 log10IU/ml, t=-1.134, P=0.258) and the percentage of patients with liver cirrhosis (24.19% (30/124) vs 16.50% (17/103), χ2=2.026, P=0.155). The median follow-up was 28 months (range 4-58 months), and the incidence of HCC was 7.49% (17/227). Among the patients with HBV drug-resistance gene mutations, 12 (12/124, 9.68%) developed HCC, and among those without HBV drug-resistance gene mutations, 5 (5/103, 4.85%) developed HCC. Among the patients who developed HCC, 70.59% (12/17) had HBV drug-resistance gene mutations at baseline; among the patients who did not develop HCC, 53.33% (112/210) had HBV drug-resistance gene mutations at baseline. ConclusionThe patients with poor control of HBV DNA during antiviral therapy have a comparable incidence of HCC to those not treated with antiviral therapy, with a relatively high risk of developing HCC; the treated patients with HBV drug-resistance gene mutations may have a higher risk of HCC than those without such mutations, which needs to be confirmed by the studies with a longer follow-up period and a larger sample size