Size-dependent infrared properties of MgO nanoparticles with evidence of screening effect

We have investigated the infrared (IR) absorption properties of MgO nanoparticles (NPs) with the means of molecular dynamics simulations. Several size effects have been observed. We show in particular that the absorption of IR radiation does not occur predominantly through the polariton mode but preferentially through surface modes. This enhanced surface absorption is found to result from the absence of dielectric screening of the first atomic layer of the NPs. We demonstrate concomitantly that a macroscopic description of electrodynamics is inadequate to capture these unusual IR properties

Elongation mechanism of the ion shaping of embedded gold nanoparticles under swift heavy ion irradiation

The elongation process under swift heavy ion irradiation (74 MeV Kr ions) of gold NPs, with a diameter in the range 10-30 nm, and embedded in a silica matrix has been investigated by combining experiment and simulation techniques: three-dimensional thermal spike (3DTS), molecular dynamics (MD) and a phenomenological simulation code specially developed for this study. 3DTS simulations evidence the formation of a track in the host matrix and the melting of the NP after the passage of the impinging ion. MD simulations demonstrate that melted NPs have enough time to expand after each ion impact. Our phenomenological simulation relies on the expansion of the melted NP, which flows in the track in silica with modified (lower) density, followed by its recrystallization upon cooling. Finally, the elongation of the spherical NP into a cylindrical one, with a length proportional to its initial size and a width close to the diameter of the track, is the result of the superposition of the independent effects of each expansion/recrystallization process occurring for each ion impact. In agreement with experiment, the simulation shows the gradual elongation of spherical NPs in the ion-beam direction until their widths saturate in the steady state and reach a value close to the track diameter. Moreover, the simulations indicate that the expansion of the gold NP is incomplete at each ion impact.Peer reviewe

Monte Carlo simulation of subsurface ordering kinetics in an fcc-alloy model

Within the atom-vacancy exchange mechanism in a nearest-neighbor interaction model we investigate the kinetics of surface-induced ordering processes close to the (001) surface of an fcc A_3B-alloy. After a sudden quench into the ordered phase with a final temperature above the ordering spinodal, T_f > T_sp, the early time kinetics is dominated by a segregation front which propagates into the bulk with nearly constant velocity. Below the spinodal, T_f < T_sp, motion of the segregation wave reflects a coarsening process which appears to be slower than predicted by the Lifschitz-Allen-Cahn law. In addition, in the front-penetrated region lateral growth differs distinctly from perpendicular growth, as a result of the special structure of antiphase boundaries near the surface. Our results are compared with recent experiments on the subsurface ordering kinetics at Cu_3Au (001).Comment: 10 pages, 9 figures, submitted to Phys. Rev. B, in prin

Dicer Deficiency Differentially Impacts Microglia of the Developing and Adult Brain

Microglia seed the embryonic neuro-epithelium, expand and actively sculpt neuronal circuits in the developing central nervous system, but eventually adopt relative quiescence and ramified morphology in the adult. Here, we probed the impact of post-transcriptional control by microRNAs (miRNAs) on microglial performance during development and adulthood by generating mice lacking microglial Dicer expression at these distinct stages. Conditional Dicer ablation in adult microglia revealed that miRNAs were required to limit microglial responses to challenge. After peripheral endotoxin exposure, Dicer-deficient microglia expressed more pro-inflammatory cytokines than wild-type microglia and thereby compromised hippocampal neuronal functions. In contrast, prenatal Dicer ablation resulted in spontaneous microglia activation and revealed a role for Dicer in DNA repair and preservation of genome integrity. Accordingly, Dicer deficiency rendered otherwise radio-resistant microglia sensitive to gamma irradiation. Collectively, the differential impact of the Dicer ablation on microglia of the developing and adult brain highlights the changes these cells undergo with time

Glycans in Sera of Amyotrophic Lateral Sclerosis Patients and Their Role in Killing Neuronal Cells

Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease caused by degeneration of upper and lower motor neurons. To date, glycosylation patterns of glycoproteins in fluids of ALS patients have not been described. Moreover, the aberrant glycosylation related to the pathogenesis of other neurodegenerative diseases encouraged us to explore the glycome of ALS patient sera. We found high levels of sialylated glycans and low levels of core fucosylated glycans in serum-derived N-glycans of patients with ALS, compared to healthy volunteer sera. Based on these results, we analyzed the IgG Fc N297-glycans, as IgG are major serum glycoproteins affected by sialylation or core fucosylation and are found in the motor cortex of ALS patients. The analyses revealed a distinct glycan, A2BG2, in IgG derived from ALS patient sera (ALS-IgG). This glycan increases the affinity of IgG to CD16 on effector cells, consequently enhancing Antibody-Dependent Cellular Cytotoxicity (ADCC). Therefore, we explore whether the Fc-N297-glycans of IgG may be involved in ALS disease. Immunostaining of brain and spinal cord tissues revealed over-expression of CD16 and co-localization of intact ALS-IgG with CD16 and in brain with activated microglia of G93A-SOD1 mice. Intact ALS-IgG enhanced effector cell activation and ADCC reaction in comparison to sugar-depleted or control IgG. ALS-IgG were localized in the synapse between brain microglia and neurons of G93A-SOD1 mice, manifesting a promising in vivo ADCC reaction. Therefore, glycans of ALS-IgG may serve as a biomarker for the disease and may be involved in neuronal damage

Ségrégation de surface et transition ordre-désordre. Une étude par simulation numérique du composé Cu3Au

Les simulations présentées reposent sur deux modèles de cohésion phénoménologiques à n corps. A température nulle, l'énergie des surfaces (100) et (110) est minimum pour un plan atomique terminal de composition mixte (50% Au), en accord avec les résultats expérimentaux. Le minimum d'énergie des surfaces (11n) est obtenu lorsque toutes les terrasses (100) ont également une composition mixte. La hauteur des marches et la largeur des terrasses sont alors doubles de celles d'une configuration standard de surface. Les profils de composition de la surface (100), déterminés en fonction de la température à l'aide de simulations Monte Carlo, confirment les résultats des calculs statiques. En dessous de la température critique de transition ordre-désordre (Tc), le premier plan de surface est fortement enrichi en or (≈50% Au) tandis que le second est très appauvri (≈100% Cu). Au-dessus de Tc, la composition d'équilibre des plans de surface converge vers la valeur de volume (25% Au) via un profil oscillant amorti. La portée de ces oscillations décroît quand la température augmente, en bon accord avec des expériences de diffusion de rayons X. Ces résultats sont comparés aux profils de composition de la surface (111) qui ne présentent pas d'oscillations