Vibronic effects on resonant electron conduction through single molecule junctions

The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green's function methods. Considering molecular junctions where a central phenyl ring is coupled via (alkane)thiol-bridges to gold electrodes, it is shown that -- depending on the distance between the electronic $\pi$-system and the metal -- electronic-vibrational coupling may result in pronounced vibrational substructures in the transmittance, a significantly reduced current as well as a quenching of negative differential resistance effects.Comment: Submitted to Chem. Phys. Lett. (13 pages, 5 figures) this version: typos and formating correcte

Correlation of a solar flare with a visual aurora

Correlation of solar flare with visual auror

Jefferson Lab IR FEL cryomodule modifications and test results

The Infrared Free Electron Laser being constructed at the Thomas Jefferson National Accelerator Facility will require a 42 MeV, 5 mA electron accelerator. The accelerator design requires a 10 MeV injector and a two pass 32 MeV linac, one pass for acceleration and one pass for energy recovery. In order to minimize the cost of the linac, standard CEBAF 1497 MHZ Superconducting Radio Frequency cavities and cryomodules are being used with minimal changes. Two SRF cavities, housed in a quarter cryomodule, operate at a nominal 10 MV/m to provide the injector energy. The linac is composed of one cryomodule, housing eight SRF cavities operating at an average gradient of 8 MV/m. The modifications to the cryomodule are being made to handle the higher beam current, to improve RF control, and to increase machine reliability. The modifications to the higher order mode (HOM) loads, cavity tuners, cavity beam line, warm and cold RF windows, and cryogenic shield are described. Test results from the injector quarter cryomodule are also presented

Evaluation of optical coherence tomography findings in age-related macular degeneration: a reproducibility study of two independent reading centres

International audienceBackground/aims : To determine the reproducibility among readers of two independent certified centers, the Vienna Reading Center (VRC) and the University of Wisconsin-Madison Reading Center (UW-FPRC) for OCT images in age-related macular degeneration (AMD). Methods : Fast macular thickness scans and 6 mm cross hair scans were obtained from 100 eyes with all subtypes of AMD using Stratus OCT. Consensus readings were performed by two certified OCT readers of each Reading Center using their grading protocol. Common variables of both grading protocols, such as presence of cystoid spaces, subretinal fluid, vitreomacular traction and retinal pigment epithelial detachment were compared using kappa statistics. In addition, the intraclass correlation coefficient (ICC) was calculated for center point thickness (CPT) of values remeasured manually in the presence of alignment errors. Results : The reproducibility was dependent on the variable measured with a kappa value of 0.81 for the presence of cystoid spaces, 0.78 for the presence of subretinal fluid and 0.795 for the presence of vitreomacular traction. The lowest reproducibility was found for the presence of retinal pigment epithelial detachment with a kappa value of 0.51. The CPT was remeasured in 29 out of 100 scans at both sites with an ICC of the remeasured thicknesses of 0.92. Conclusion : OCT scan data are crucial in monitoring treatment efficacy in AMD clinical trials. For comparison of results obtained by different Reading Centers, the inter-Reading Center reproducibility is essential. Although the reproducibility is generally high, the reliability depends on the selected morphological parameters

Curation of FOAMS: a Free Open-Access Misophonia Stimuli Database

Misophonia is a disorder of decreased tolerance to certain “trigger” sounds (e.g., chewing, tapping, clicking). While misophonia research is scant in general, studies presenting sounds are especially rare and methodologically variable, likely due to the labor and time required to create stimuli. Thus, we introduce FOAMS: Free Open-Access Misophonia Stimuli, a sound bank publicly available on Zenodo, accompanied by pilot discomfort ratings for 32 of these sounds (4 exemplars of 8 classes). The FOAMS database aims to decrease the burden on researchers, facilitating reproducibility and the pursuit of nuanced research questions to better understand this perplexing disorder

Secondary structure of Ac-Alan_n-LysH+^+ polyalanine peptides (nn=5,10,15) in vacuo: Helical or not?

The polyalanine-based peptide series Ac-Ala_n-LysH+ (n=5-20) is a prime example that a secondary structure motif which is well-known from the solution phase (here: helices) can be formed in vacuo. We here revisit this conclusion for n=5,10,15, using density-functional theory (van der Waals corrected generalized gradient approximation), and gas-phase infrared vibrational spectroscopy. For the longer molecules (n=10,15) \alpha-helical models provide good qualitative agreement (theory vs. experiment) already in the harmonic approximation. For n=5, the lowest energy conformer is not a simple helix, but competes closely with \alpha-helical motifs at 300K. Close agreement between infrared spectra from experiment and ab initio molecular dynamics (including anharmonic effects) supports our findings.Comment: 4 pages, 4 figures, Submitted to JPC Letter

PEPPo: Using a Polarized Electron Beam to Produce Polarized Positrons

An experiment demonstrating a new method for producing polarized positrons has been performed at the CEBAF accelerator at Jefferson Laboratory. The PEPPo (Polarized Electrons for Polarized Positrons) concept relies on the production of polarized e+/e− pairs originating from the bremsstrahlung radiation of a longitudinally polarized electron beam interacting within a 1.0 mm tungsten pair-production target. This paper describes preliminary results of measurements using an 8.2 MeV/c electron beam with polarization 84% to generate positrons in the range of 3.1 to 6.2 MeV/c with polarization as high as ∼80%

Hsp70 Oligomerization Is Mediated by an Interaction between the Interdomain Linker and the Substrate-Binding Domain

Oligomerization in the heat shock protein (Hsp) 70 family has been extensively documented both in vitro and in vivo, although the mechanism, the identity of the specific protein regions involved and the physiological relevance of this process are still unclear. We have studied the oligomeric properties of a series of human Hsp70 variants by means of nanoelectrospray ionization mass spectrometry, optical spectroscopy and quantitative size exclusion chromatography. Our results show that Hsp70 oligomerization takes place through a specific interaction between the interdomain linker of one molecule and the substrate-binding domain of a different molecule, generating dimers and higher-order oligomers. We have found that substrate binding shifts the oligomerization equilibrium towards the accumulation of functional monomeric protein, probably by sequestering the helical lid sub-domain needed to stabilize the chaperone: substrate complex. Taken together, these findings suggest a possible role of chaperone oligomerization as a mechanism for regulating the availability of the active monomeric form of the chaperone and for the control of substrate binding and release. © 2013 Aprile et al.FAA was recipient of a graduate fellowship from the Italian Ministry of Education, University and Research. AD is grateful for support from Murray Edwards College, Cambridge, through a Junior Research Fellowship. FS is a Sir Henry Wellcome Fellow. CR acknowledges financial support by the Spanish Ministry of Health according to the 'Plan Nacional de I+D+I 2008-2011', through ISCIII with cofunding by FEDER (CP10/00527). JLPB is a Royal Society University Research Fellow. FAA and PT are grateful for support from Regione Lombardia (NEDD and >Network Tecnologico integrato per lo studio proteomico e trascrittomico di malattie neurodegenerative correlate a deposizioni di amiloidi>). CMD acknowledges support from BBSRC (BB/E019927/1), the Wellcome Trust (094425/Z/10/Z), the European Commission (project LSHM-CT-2006-037525). NC acknowledges support from Human Frontiers Science Program (HFSP) through a Long-term Fellowship (LT000795/2009).Peer Reviewe