Binding between endohedral Na atoms in Si clathrate I; a first principles study

We investigate the binding nature of the endohedral sodium atoms with the ensity functional theory methods, presuming that the clathrate I consists of a sheaf of one-dimensional connections of Na@Si$_{24}$ cages interleaved in three perpendicular directions. Each sodium atom loses 30% of the 3s$^1$ charge to the frame, forming an ionic bond with the cage atoms; the rest of the electron contributes to the covalent bond between the nearest Na atoms. The presumption is proved to be valid; the configuration of the two Na atoms in the nearest Si$_{24}$ cages is more stable by 0.189 eV than that in the Si$_{20}$ and Si$_{24}$ cages. The energy of the beads of the two distorted Na atoms is more stable by 0.104 eV than that of the two infinitely separated Na atoms. The covalent bond explains both the preferential occupancies in the Si$_{24}$ cages and the low anisotropic displacement parameters of the endohedral atoms in the Si$_{24}$ cages in the [100] directions of the clathrate I.Comment: First page: Affiliation added to PDF and PS versio

Role of hydrogen bonding in charge-ordered organic conductor α\alpha-(BEDT-TTF)2_2I3_3 probed by 127^{127}I nuclear quadrupole resonance

We present $^{127}$I nuclear quadrupole resonance spectra and nuclear relaxation of $\alpha$-(BEDT-TTF)$_2$I$_3$ that undergoes a charge-ordering transition. Only one of the two I$_3$ anion sites shows a significant differentiation in the electric field gradients across the first-order transition. The charge modulation only in the BEDT-TTF layers can not reproduce; instead, an anion-donor interaction accompanied by hydrogen bonding is necessary. The dominating source for the nuclear relaxation is the local libration of the I$_3$ anions, but an anomalous peak is detected just below the transition, as observed by $^{13}$C NMR.Comment: 10 pages, 5 figures, accepted for publication in Phys. Rev.

Observation of the first gravitational microlensing event in a sparse stellar field : the Tago event

We report the observation of the first gravitational microlensing event in a sparse stellar field, involving the brightest (V=11.4 mag) andclosest (~ 1 kpc) source star to date. This event was discovered by an amateurastronomer, A. Tago, on 2006 October 31 as a transient brightening, by ~4.5 mag during a ~15 day period, of a normal A-type star (GSC 3656-1328) in the Cassiopeia constellation. Analysis of both spectroscopic observations and the light curve indicates that this event was caused by gravitational microlensing rather than an intrinsically variable star. Discovery of this single event over a 30 year period is roughly consistent with the expected microlensing rate for the whole sky down to V = 12 mag stars. However, the probability for finding events with such a high magnification (~ 50) is much smaller, by a factor ~1/50, which implies that the true event rate may be higher than expected. This discovery indicates the potential of all sky variability surveys, employing frequent sampling by telescopes with small apertures and wide fields of view, for finding such rare transient events, and using the observations to explore galactic disk structure and search for exo-planets.Comment: 13 pages, 2 tables, 3 figures, accepted by Ap

Characterization of the near-Earth Asteroid 2002NY40

In August 2002, the near-Earth asteroid 2002 NY40, made its closest approach to the Earth. This provided an opportunity to study a near-Earth asteroid with a variety of instruments. Several of the telescopes at the Maui Space Surveillance System were trained at the asteroid and collected adaptive optics images, photometry and spectroscopy. Analysis of the imagery reveals the asteroid is triangular shaped with significant self-shadowing. The photometry reveals a 20-hour period and the spectroscopy shows that the asteroid is a Q-type

Addressing the analytical challenges for the detection of ciguatoxins using an electrochemical biosensor

The importance of ciguatoxins (CTXs) in seafood safety and their emerging occurrence in locations far away from tropical areas highlight the need for simple and low-cost methods for the sensitive and rapid detection of these potent marine toxins to protect seafood consumers. Herein, an electrochemical immunosensor for the detection of CTXs is presented. A sandwich configuration is proposed, using magnetic beads (MBs) as immobilisation supports for two capture antibodies, with their combination facilitating the detection of CTX1B, CTX3C, 54-deoxyCTX1B and 51-hydroxyCTX3C. PolyHRP-streptavidin is used for the detection of the biotinylated detector antibody. Experimental conditions are first optimised using colorimetry, and these conditions are subsequently used for electrochemical detection on electrode arrays. Limits of detection at the pg/mL level are achieved for CTX1B and 51-hydroxyCTX3C. The applicability of the immunosensor to the analysis of fish samples is demonstrated, attaining detection of CTX1B at contents as low as 0.01 µg/kg, and providing results in correlation with those obtained using mouse bioassay (MBA) and cell-based assay (CBA), as well as liquid chromatography coupled to high-resolution mass spectrometry (LC-ESI-HRMS). This user-friendly bioanalytical tool for the rapid detection of CTXs can be used to mitigate ciguatera risk and contribute to the protection of consumer health.info:eu-repo/semantics/acceptedVersio

Structure and Stability of an Amorphous Metal

Using molecular dynamics simulations, with a realistic many-body embedded-atom potential, and a novel method to characterize local order, we study the structure of pure nickel during the rapid quench of the liquid and in the resulting glass. In contrast with previous simulations with pair potentials, we find more crystalline order and fewer icosahedra for slower quenching rates, resulting in a glass less stable against crystallization. It is shown that there is not a specific amorphous structure, only the arrest of the transition from liquid to crystal, resulting in small crystalline clusters immersed in an amorphous matrix with the same structure of the liquid.Comment: 4 pages, 4 ps figs., to appear in Phys. Rev. Let

Three-dimensional random Voronoi tessellations: From cubic crystal lattices to Poisson point processes

We perturb the SC, BCC, and FCC crystal structures with a spatial Gaussian noise whose adimensional strength is controlled by the parameter a, and analyze the topological and metrical properties of the resulting Voronoi Tessellations (VT). The topological properties of the VT of the SC and FCC crystals are unstable with respect to the introduction of noise, because the corresponding polyhedra are geometrically degenerate, whereas the tessellation of the BCC crystal is topologically stable even against noise of small but finite intensity. For weak noise, the mean area of the perturbed BCC and FCC crystals VT increases quadratically with a. In the case of perturbed SCC crystals, there is an optimal amount of noise that minimizes the mean area of the cells. Already for a moderate noise (a>0.5), the properties of the three perturbed VT are indistinguishable, and for intense noise (a>2), results converge to the Poisson-VT limit. Notably, 2-parameter gamma distributions are an excellent model for the empirical of of all considered properties. The VT of the perturbed BCC and FCC structures are local maxima for the isoperimetric quotient, which measures the degre of sphericity of the cells, among space filling VT. In the BCC case, this suggests a weaker form of the recentluy disproved Kelvin conjecture. Due to the fluctuations of the shape of the cells, anomalous scalings with exponents >3/2 is observed between the area and the volumes of the cells, and, except for the FCC case, also for a->0. In the Poisson-VT limit, the exponent is about 1.67. As the number of faces is positively correlated with the sphericity of the cells, the anomalous scaling is heavily reduced when we perform powerlaw fits separately on cells with a specific number of faces

Esophageal granular cell tumor successfully resected by endoscopic submucosal dissection

Granular cell tumors of the esophagus are rare neoplasms and their diagnosis is mainly based on histopathologic examination of endoscopic biopsies. With the development of endoscopic techniques, there has been a marked increase in local treatment modalities for early esophageal neoplasms. In this case report, we describe the removal of a granular cell tumor by the endoscopic submucosal dissection technique, and briefly discuss the literature on clinicopathologic aspects and management of granular cell tumors

The malignant phenotype in breast cancer is driven by eIF4A1-mediated changes in the translational landscape

Human mRNA DeXD/H-box helicases are ubiquitous molecular motors that are required for the majority of cellular processes that involve RNA metabolism. One of the most abundant is eIF4A, which is required during the initiation phase of protein synthesis to unwind regions of highly structured mRNA that would otherwise impede the scanning ribosome. Dysregulation of protein synthesis is associated with tumorigenesis, but little is known about the detailed relationships between RNA helicase function and the malignant phenotype in solid malignancies. Therefore, immunohistochemical analysis was performed on over 3000 breast tumors to investigate the relationship among expression of eIF4A1, the helicase-modulating proteins eIF4B, eIF4E and PDCD4, and clinical outcome. We found eIF4A1, eIF4B and eIF4E to be independent predictors of poor outcome in ER-negative disease, while in contrast, the eIF4A1 inhibitor PDCD4 was related to improved outcome in ER-positive breast cancer. Consistent with these data, modulation of eIF4A1, eIF4B and PCDC4 expression in cultured MCF7 cells all restricted breast cancer cell growth and cycling. The eIF4A1-dependent translatome of MCF7 cells was defined by polysome profiling, and was shown to be highly enriched for several classes of oncogenic genes, including G-protein constituents, cyclins and protein kinases, and for mRNAs with G/C-rich 5′UTRs with potential to form G-quadruplexes and with 3′UTRs containing microRNA target sites. Overall, our data show that dysregulation of mRNA unwinding contributes to the malignant phenotype in breast cancer via preferential translation of a class of genes involved in pro-oncogenic signaling at numerous levels. Furthermore, immunohistochemical tests are promising biomarkers for tumors sensitive to anti-helicase therapies