Amine-Linked Single Molecule Circuits: Systematic Trends Across Molecular Families

A comprehensive review is presented of single molecule junction conductance measurements across families of molecules measured while breaking a gold point contact in a solution of molecules with amine end groups. A theoretical framework unifies the picture for the amine-gold link bonding and the tunnel coupling through the junction using Density Functional Theory based calculations. The reproducible electrical characteristics and utility for many molecules is shown to result from the selective binding between the gold electrodes and amine link groups through a donor-acceptor bond to undercoordinated gold atoms. While the bond energy is modest, the maximum force sustained by the junction is comparable to, but less than, that required to break gold point contacts. The calculated tunnel coupling provides conductance trends for all 41 molecule measurements presented here, as well as insight into the variability of conductance due to the conformational changes within molecules with torsional degrees of freedom. The calculated trends agree to within a factor of two of the measured values for conductance ranging from 10-7 G0 to 10-2 G0, where G0 is the quantum of conductance (2e2/h).Comment: Invited paper for forthcoming special issue of Journal of Physics: Condensed Matte

9286 Stars: An Agglomeration of Stellar Polarization Catalogs

This is a revision. The revisions are minor. The new version of the catalog should be used in preference to the old. The most serious error in the older version was that $\theta_diff$ was incorrect, being sometimes far too large, for Reiz and Franco entries; the correct values are all zero for that reference. We present an agglomeration of stellar polarization catalogs with results for 9286 stars. We have endeavored to eliminate errors, provide accurate (arcsecond) positions, sensibly weight multiple observations of the same star, and provide reasonable distances. This catalog is included as an ASCII file (catalog.txt) in the source of this submission.Comment: The most serious error in the older version was that $\theta_diff$ was incorrect, being sometimes far too large, for Reiz and Franco entries; the correct values are all zero for that reference. 11 pages, no figures. Accepted for Astronomical Journal. Catalog also available as an ASCII file by anonymous FTP from ftp://vermi.berkeley.edu/pub/polcat/p14.ou

Modeling of the Super-Eddington Phase for Classical Novae: Five IUE Novae

We present a light curve model for the super-Eddington luminosity phase of five classical novae observed with IUE. Optical and UV light curves are calculated based on the optically thick wind theory with a reduced effective opacity for a porous atmosphere. Fitting a model light curve with the UV 1455 \AA light curve, we determine the white dwarf mass and distance to be (1.3 M_sun, 4.4 kpc) for V693 CrA, (1.05 M_sun, 1.8 kpc) for V1974 Cyg, (0.95 M_sun, 4.1 kpc) for V1668 Cyg, (1.0 M_sun, 2.1 kpc) for V351 Pup, and (1.0 M_sun, 4.3 kpc) for OS And.Comment: 9 pages including 8 figures, to appear in the Astrophysical Journa

Single-molecule transistor fabrication by self-aligned lithography and in situ molecular assembly

Abstract We describe the fabrication of single-molecule transistors by self-aligned lithography and in situ molecular assembly. Ultrathin metallic electrodes are patterned with a nanoscale interelectrode separation defined by the lateral oxidation of a thin layer of Al. Highly conjugated molecular units are sequentially assembled within the electrode gap by selective design of the molecular end group chemistry. The assembled devices display evidence of molecular conduction

Dynamics of Line-Driven Winds from Disks in Cataclysmic Variables. I. Solution Topology and Wind Geometry

We analyze the dynamics of 2-D stationary, line-driven winds from accretion disks in cataclysmic variable stars. The driving force is that of line radiation pressure, in the formalism developed by Castor, Abbott & Klein for O stars. Our main assumption is that wind helical streamlines lie on straight cones. We find that the Euler equation for the disk wind has two eigenvalues, the mass loss rate and the flow tilt angle with the disk. Both are calculated self-consistently. The wind is characterized by two distinct regions, an outer wind launched beyond four white dwarf radii from the rotation axis, and an inner wind launched within this radius. The inner wind is very steep, up to 80 degrees with the disk plane, while the outer wind has a typical tilt of 60 degrees. In both cases the ray dispersion is small. We, therefore, confirm the bi-conical geometry of disk winds as suggested by observations and kinematical modeling. The wind collimation angle appears to be robust and depends only on the disk temperature stratification. The flow critical points lie high above the disk for the inner wind, but close to the disk photosphere for the outer wind. Comparison with existing kinematical and dynamical models is provided. Mass loss rates from the disk as well as wind velocity laws are discussed in a subsequent paper.Comment: 21 pages, 10 Postscript figures; available also from http://www.pa.uky.edu/~shlosman/publ.html. Astrophysical Journal, submitte

Hydrogen bonding of nitroxide spin labels in membrane proteins

On the basis of experiments at 275 GHz, we reconsider the dependence of the continuous-wave EPR spectra of nitroxide spin-labeled protein sites in sensory- and bacteriorhodopsin on the micro-environment. The high magnetic field provides the resolution necessary to disentangle the effects of hydrogen bonding and polarity. In the gxx region of the 275 GHz EPR spectrum, bands are resolved that derive from spin-label populations carrying no, one or two hydrogen bonds. The gxx value of each population varies hardly from site to site, significantly less than deduced previously from studies at lower microwave frequencies. The fractions of the populations vary strongly, which provides a consistent description of the variation of the average gxx and the average nitrogen-hyperfine interaction Azz from site to site. These variations reflect the difference in the proticity of the micro-environment, and differences in polarity contribute marginally. Concomitant W-band ELDOR- detected NMR experiments on the corresponding nitroxide in perdeuterated water resolve population-specific nitrogen-hyperfine bands, which underlies the interpretation for the proteins

IS element IS16 as a molecular screening tool to identify hospital-associated strains of Enterococcus faecium

<p>Abstract</p> <p>Background</p> <p>Hospital strains of <it>Enterococcus faecium </it>could be characterized and typed by various molecular methods (MLST, AFLP, MLVA) and allocated to a distinct clonal complex known as MLST CC17. However, these techniques are laborious, time-consuming and cost-intensive. Our aim was to identify hospital <it>E. faecium </it>strains and differentiate them from colonizing and animal variants by a simple, inexpensive and reliable PCR-based screening assay. We describe here performance and predictive value of a single PCR detecting the insertion element, IS<it>16</it>, to identify hospital <it>E. faecium </it>isolates within a collection of 260 strains of hospital, animal and human commensal origins.</p> <p>Methods</p> <p>Specific primers were selected amplifying a 547-bp fragment of IS<it>16</it>. Presence of IS<it>16 </it>was determined by PCR screenings among the 260 <it>E. faecium </it>isolates. Distribution of IS<it>16 </it>was compared with a prevalence of commonly used markers for hospital strains, <it>esp </it>and <it>hyl</it>_<it>Efm</it>. All isolates were typed by MLST and partly by PFGE. Location of IS<it>16 </it>was analysed by Southern hybridization of plasmid and chromosomal DNA.</p> <p>Results</p> <p>IS<it>16 </it>was exclusively distributed only among 155 invasive strains belonging to the clonal complex of hospital-associated strains ("CC17"; 28 MLST types) and various vancomycin resistance genotypes (<it>van</it>A/B/negative). The five invasive IS<it>16</it>-negative strains did not belong to the clonal complex of hospital-associated strains (CC17). IS<it>16 </it>was absent in all but three isolates from 100 livestock, food-associated and human commensal strains ("non-CC17"; 64 MLST types). The three IS<it>16</it>-positive human commensal isolates revealed MLST types belonging to the clonal complex of hospital-associated strains (CC17). The values predicting a hospital-associated strain ("CC17") deduced from presence and absence of IS<it>16 </it>was 100% and thus superior to screening for the presence of <it>esp </it>(66%) and/or <it>hyl</it>_{<it>Efm </it>}(46%). Southern hybridizations revealed chromosomal as well as plasmid localization of IS<it>16</it>.</p> <p>Conclusions</p> <p>This simple screening assay for insertion element IS<it>16 </it>is capable of differentiating hospital-associated from human commensal, livestock- and food-associated <it>E. faecium </it>strains and thus allows predicting the epidemic strengths or supposed pathogenic potential of a given <it>E. faecium </it>isolate identified within the nosocomial setting.</p

IS element IS16 as a molecular screening tool to identify hospital-associated strains of Enterococcus faecium

<p>Abstract</p> <p>Background</p> <p>Hospital strains of <it>Enterococcus faecium </it>could be characterized and typed by various molecular methods (MLST, AFLP, MLVA) and allocated to a distinct clonal complex known as MLST CC17. However, these techniques are laborious, time-consuming and cost-intensive. Our aim was to identify hospital <it>E. faecium </it>strains and differentiate them from colonizing and animal variants by a simple, inexpensive and reliable PCR-based screening assay. We describe here performance and predictive value of a single PCR detecting the insertion element, IS<it>16</it>, to identify hospital <it>E. faecium </it>isolates within a collection of 260 strains of hospital, animal and human commensal origins.</p> <p>Methods</p> <p>Specific primers were selected amplifying a 547-bp fragment of IS<it>16</it>. Presence of IS<it>16 </it>was determined by PCR screenings among the 260 <it>E. faecium </it>isolates. Distribution of IS<it>16 </it>was compared with a prevalence of commonly used markers for hospital strains, <it>esp </it>and <it>hyl</it>_<it>Efm</it>. All isolates were typed by MLST and partly by PFGE. Location of IS<it>16 </it>was analysed by Southern hybridization of plasmid and chromosomal DNA.</p> <p>Results</p> <p>IS<it>16 </it>was exclusively distributed only among 155 invasive strains belonging to the clonal complex of hospital-associated strains ("CC17"; 28 MLST types) and various vancomycin resistance genotypes (<it>van</it>A/B/negative). The five invasive IS<it>16</it>-negative strains did not belong to the clonal complex of hospital-associated strains (CC17). IS<it>16 </it>was absent in all but three isolates from 100 livestock, food-associated and human commensal strains ("non-CC17"; 64 MLST types). The three IS<it>16</it>-positive human commensal isolates revealed MLST types belonging to the clonal complex of hospital-associated strains (CC17). The values predicting a hospital-associated strain ("CC17") deduced from presence and absence of IS<it>16 </it>was 100% and thus superior to screening for the presence of <it>esp </it>(66%) and/or <it>hyl</it>_{<it>Efm </it>}(46%). Southern hybridizations revealed chromosomal as well as plasmid localization of IS<it>16</it>.</p> <p>Conclusions</p> <p>This simple screening assay for insertion element IS<it>16 </it>is capable of differentiating hospital-associated from human commensal, livestock- and food-associated <it>E. faecium </it>strains and thus allows predicting the epidemic strengths or supposed pathogenic potential of a given <it>E. faecium </it>isolate identified within the nosocomial setting.</p