The structure of the Au(111)/methylthiolate interface : new insights from near-edge X-ray absorption spectroscopy and X-ray standing waves

The local structure of the Au(111)([square root of]3×[square root of]3)R30°-methylthiolate surface phase has been investigated by S K-edge near-edge s-ray absorption fine structure (NEXAFS) both experimentally and theoretically and by experimental normal-incidence x-ray standing waves (NIXSW) at both the C and S atomic sites. NEXAFS shows not only excitation into the intramolecular sigma* S–C resonance but also into a sigma* S–Au orbital perpendicular to the surface, clearly identifying the local S headgroup site as atop a Au atom. Simulations show that it is not possible, however, to distinguish between the two possible adatom reconstruction models; a single thiolate species atop a hollow-site Au adatom or a dithiolate moiety comprising two thiolate species bonded to a bridge-bonded Au adatom. Within this dithiolate moiety a second sigma* S–Au orbital that lies near parallel to the surface has a higher energy that overlaps that of the sigma* S–C resonance. The new NIXSW data show the S–C bond to be tilted by 61° relative to the surface normal, with a preferred azimuthal orientation in , corresponding to the intermolecular nearest-neighbor directions. This azimuthal orientation is consistent with the thiolate being atop a hollow-site Au adatom, but not consistent with the originally proposed Au-adatom-dithiolate moiety. However, internal conformational changes within this species could, perhaps, render this model also consistent with the experimental data

Estrogen treatment decreases matrix metalloproteinase (MMP)-9 in autoimmune demyelinating disease through estrogen receptor alpha (ERalpha).

Matrix metalloproteinases (MMPs) have a crucial function in migration of inflammatory cells into the central nervous system (CNS). Levels of MMP-9 are elevated in multiple sclerosis (MS) and predict the occurrence of new active lesions on magnetic resonance imaging (MRI). This translational study aims to determine whether in vivo treatment with the pregnancy hormone estriol affects MMP-9 levels from immune cells in patients with MS and mice with experimental autoimmune encephalomyelitis (EAE). Peripheral blood mononuclear cells (PBMCs) collected from three female MS patients treated with estriol and splenocytes from EAE mice treated with estriol, estrogen receptor (ER) alpha ligand, ERbeta ligand or vehicle were stimulated ex vivo and analyzed for levels of MMP-9. Markers of CNS infiltration were assessed using MRI in patients and immunohistochemistry in mice. Supernatants from PBMCs obtained during estriol treatment in female MS patients showed significantly decreased MMP-9 compared with pretreatment. Decreases in MMP-9 coincided with a decrease in enhancing lesion volume on MRI. Estriol treatment of mice with EAE reduced MMP-9 in supernatants from autoantigen-stimulated splenocytes, coinciding with decreased CNS infiltration by T cells and monocytes. Experiments with selective ER ligands showed that this effect was mediated through ERalpha. In conclusion, estriol acting through ERalpha to reduce MMP-9 from immune cells is one mechanism potentially underlying the estriol-mediated reduction in enhancing lesions in MS and inflammatory lesions in EAE

Why Compact Tori For Fusion?

A compact torus (CT) has a toroidal magnetic and plasma geometry, but is contained within a simply-connected vacuum vessel such as a cylinder. Spheromaks and field-reversed configurations fall into this category. Compact tori are translatable and have a high engineering beta. The primary benefit of CTs for fusion is the absence of toroidal field and Ohmic Heating coils and the many problems brought on by them. Studying fusion-relevant plasma in simply-connected geometries affords the world fusion program both physics and technology opportunities not found in other configurations. This paper outlines the technology and physics opportunities of compact tori, and presents a cost model based on geometry for comparison with less compact configurations

CLIWOC multilingual meteorological dictionary

This dictionary is the first attempt to express the wealth of archaic logbook wind force terms in a form that is comprehensible to the modern-day reader. Oliver and Kington (1970) and Lamb (1982) have drawn attention to the importance of logbooks in climatic studies, and Lamb (1991) offered a conversion scale for early eighteenth century English wind force terms, but no studies have thus far pursued the matter to any greater depth. This text attempts to make good this deficiency, and is derived from the research undertaken by the CLIWOC project1 in which British, Dutch, French and Spanish naval and merchant logbooks from the period 1750 to 1850 were used to derive a global database of climatic information. At an early stage in the project it was apparent that many of the logbook weather terms, whilst conforming to a conventional vocabulary, possessed meanings that were unclear to twenty-first century readers or had changed over time. This was particularly the case for the important element of wind force; but no special plea is entered for the evolution in nautical vocabulary, which often reflected more wide-ranging changes in the respective native languages.The key objective was to translate the archaic vocabulary of the late eighteenth and early nineteenth century mariner into expressions directly comparable with the Beaufort Scale (see Appendix I). Only then could the projects scientific programme be embarked upon. This dictionary is the result of the largest undertaking into logbook studies that has yet been carried out. Several thousand logbooks from British, Dutch, French and Spanish archives were examined, and the exercise offered a unique opportunity to explore the vocabulary of the one hundred year period beginning in 1750. The logbooks from which the raw data have been abstracted range widely across the North and South Atlantic and the Indian Oceans. Only the Pacific, largely in consequence of the paucity of regular naval activity in that area, is not well represented. The range of climates encountered in this otherwise wide geographic domain gives ample opportunity for the full range of the mariners nautical weather vocabulary to be assessed, from the calms of the Equatorial regions, through the gales of the mid-latitude systems to the fearsome storms of the tropical latitudes. The Trade Winds belts, the Doldrums, the unsettled mid-latitudes, even the icy wastes of the high latitudes, are all embraced in this study. It is not here intended to pass any judgements on the climatological record of the logbooks, and this text seeks only to provide a means of understanding archaic wind force terms and, other than to indicate those items that were not commonly used, no information is given on the frequency with which different terms appeared in the logbooks. Attention is, furthermore, confined to Dutch, English, French and Spanish because these once great imperial powers were the only nations able to support wide-ranging ocean-going fleets with their attendant collections of logbooks and documents over this long period of time. The work is offered to the wider academic community in the hope that they will prove to be of as much value as it has been to the CLIWOC team

Optimal Principal Component Analysis in Distributed and Streaming Models

We study the Principal Component Analysis (PCA) problem in the distributed and streaming models of computation. Given a matrix $A \in R^{m \times n},$ a rank parameter $k < rank(A)$, and an accuracy parameter $0 < \epsilon < 1$, we want to output an $m \times k$ orthonormal matrix $U$ for which $$|| A - U U^T A ||_F^2 \le \left(1 + \epsilon \right) \cdot || A - A_k||_F^2,$$ where $A_k \in R^{m \times n}$ is the best rank-$k$ approximation to $A$. This paper provides improved algorithms for distributed PCA and streaming PCA.Comment: STOC2016 full versio

Design, implementation, and testing of a cryogenic loading capability on an engineering neutron diffractometer

A novel capability was designed, implemented, and tested for in situ neutron diffraction measurements during loading at cryogenic temperatures on the spectrometer for materials research at temperature and stress at Los Alamos National Laboratory. This capability allowed for the application of dynamic compressive forces of up to 250 kN on standard samples controlled at temperatures between 300 and 90 K. The approach comprised of cooling thermally isolated compression platens that in turn conductively cooled the sample in an aluminum vacuum chamber which was nominally transparent to the incident and diffracted neutrons. The cooling/heat rate and final temperature were controlled by regulating the flow of liquid nitrogen in channels inside the platens that were connected through bellows to the mechanical actuator of the load frame and by heaters placed on the platens. Various performance parameters of this system are reported here. The system was used to investigate deformation in Ni-Ti-Fe shape memory alloys at cryogenic temperatures and preliminary results are presented

Renormalisation-theoretic analysis of non-equilibrium phase transitions II: The effect of perturbations on rate coefficients in the Becker-Doring equations

We study in detail the application of renormalisation theory to models of cluster aggregation and fragmentation of relevance to nucleation and growth processes. In particular, we investigate the Becker-Doring (BD) equations, originally formulated to describe and analyse non-equilibrium phase transitions, but more recently generalised to describe a wide range of physicochemical problems. We consider here rate coefficients which depend on the cluster size in a power-law fashion, but now perturbed by small amplitude random noise. Power-law rate coefficients arise naturally in the theory of surface-controlled nucleation and growth processes. The noisy perturbations on these rates reflect the effect of microscopic variations in such mean-field coefficients, thermal fluctuations and/or experimental uncertainties. In the present paper we generalise our earlier work that identified the nine classes into which all dynamical behaviour must fall by investigating how random perturbations of the rate coefficients influence the steady-state and kinetic behaviour of the coarse-grained, renormalised system. We are hence able to confirm the existence of a set of up to nine universality classes for such BD systems.Comment: 30 pages, to appear in J Phys A Math Ge

The mid-infrared diameter of W Hydrae

Mid-infrared (8-13 microns) interferometric data of W Hya were obtained with MIDI/VLTI between April 2007 and September 2009, covering nearly three pulsation cycles. The spectrally dispersed visibility data of all 75 observations were analyzed by fitting a circular fully limb-darkened disk (FDD) model to all data and individual pulsation phases. Asymmetries were studied with an elliptical FDD. Modeling results in an apparent angular FDD diameter of W Hya of about (80 +/- 1.2) mas (7.8 AU) between 8 and 10 microns, which corresponds to an about 1.9 times larger diameter than the photospheric one. The diameter gradually increases up to (105 +/- 1.2) mas (10.3 AU) at 12 microns. In contrast, the FDD relative flux fraction decreases from (0.85 +/- 0.02) to (0.77 +/- 0.02), reflecting the increased flux contribution from a fully resolved surrounding silicate dust shell. The asymmetric character of the extended structure could be confirmed. An elliptical FDD yields a position angle of (11 +/- 20) deg and an axis ratio of (0.87 +/- 0.07). A weak pulsation dependency is revealed with a diameter increase of (5.4 +/- 1.8) mas between visual minimum and maximum, while detected cycle-to-cycle variations are smaller. W Hya's diameter shows a behavior that is very similar to the Mira stars RR Sco and S Ori and can be described by an analogous model. The constant diameter part results from a partially resolved stellar disk, including a close molecular layer of H2O, while the increase beyond 10 microns can most likely be attributed to the contribution of a spatially resolved nearby Al2O3 dust shell.Comment: 18 pages, 16 figure