1,230 research outputs found
Vibrational nonequilibrium effects in the conductance of single-molecules with multiple electronic states
Vibrational nonequilibrium effects in charge transport through
single-molecule junctions are investigated. Focusing on molecular bridges with
multiple electronic states, it is shown that electronic-vibrational coupling
triggers a variety of vibronic emission and absorption processes, which
influence the conductance properties and mechanical stability of
single-molecule junctions profoundly. Employing a master equation and a
nonequilibrium Green's function approach, these processes are analyzed in
detail for a generic model of a molecular junction and for
benzenedibutanethiolate bound to gold electrodes.Comment: 5 pages, 4 figure
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 -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
Application of fluorescence techniques to the study of protein adsorption and packing on biomaterial surfaces
[Excerpt] The ways proteins compete for the surface of biomaterials and
change conformation are believed to be important for the host response
to implants. It is possible to elucidate information on
packing and any induced conformational change by making use of
different fluorescence techniques on fluorescently labelled proteins.
Employing probe-probe resonance energy transfer (RET) allows
inter and intra protein interactions to be distinguished. Homo resonance
energy transfer (hRET) avoids many problems with having
two different probes and means that labelling and subsequent purification
can be done in one step. [...]Portuguese Foundation for Science and
Technology, project PROTEOLIGHT (PTDC/FIS/68517/2006)
and J.B. grant SFRH/BPD/17584/2004. European Union NoE
EXPERTISSUES (NMP3-CT-2004-500283) and European Union
FP6 STREP project HIPPOCRATES (NMP3-CT-2003-505758).info:eu-repo/semantics/publishedVersio
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
Redesign of the Jefferson Lab -300 kV DC Photo-Gun for High Bunch Charge Operations
Production of high bunch charge beams for the ElectronIon Collider (EIC) is a challenging task. High bunch charge (a few nC) electron beam studies at Jefferson Lab using an inverted insulator DC high voltage photo-gun showed evidence of space charge limitations starting at 0.3 nC, limiting the maximum delivered bunch charge to 0.7 nC for beam at -225 kV, 75 ps (FWHM) pulse width, and 1.64 mm (rms) laser spot size. The low extracted charge is due to the modest longitudinal electric field (Ez) at the photocathode leading to beam loss at the anode and downstream beam pipe. To reach the few nC high bunch charge goal, and to correct the beam deflection exerted by the non-symmetric nature of the inverted insulator photo-gun the existing photo-gun was modified. This contribution discusses the electrostatic design of the modified photo-gun obtained using CST Studio Suite’s electromagnetic field solver. Beam dynamics simulations performed using General Particle Tracer (GPT) with the resulting electrostatic field map obtained from the modified electrodes confirmed the validity of the new design
Multimode vibrational effects in single molecule conductance: A nonequilibrium Green's function approach
The role of multimode vibrational dynamics in electron transport through
single molecule junctions is investigated. The study is based on a generic
model, which describes charge transport through a single molecule that is
attached to metal leads. To address vibrationally-coupled electron transport,
we employ a nonequilibrium Green's function approach that extends a method
recently proposed by Galperin et al. [Phys. Rev. B 73, 045314 (2006)] to
multiple vibrational modes. The methodology is applied to two systems: a
generic model with two vibrational degrees of freedom and
benzenedibutanethiolate covalently bound to gold electrodes. The results show
that the coupling to multiple vibrational modes can have a significant effect
on the conductance of a molecular junction. In particular, we demonstrate the
effect of electronically induced coupling between different vibrational modes
and study nonequilibrium vibrational effects by calculating the current-induced
excitation of vibrational modes.Comment: 31 pages, 10 figure
High Voltage Design and Evaluation of Wien Filters for the CEBAF 200 keV Injector Upgrade
High-energy nuclear physics experiments at the Jefferson Lab Continuous Electron Beam Accelerator Facility (CEBAF) require highly spin-polarization electron beams, produced from strained super-lattice GaAs photocathodes, activated to negative electron affinity in a photogun operating at 130 kV dc. A pair of Wien filter spin rotators in the injector defines the orientation of the electron beam polarization at the end station target. An upgrade of the CEBAF injector to better support the upcoming MOLLER experiment requires increasing the electron beam energy to 200 keV, to reduce unwanted helicity correlated intensity and position systematics and provide precise control of the polarization orientation. Our contribution describes design, fabrication and testing of the high voltage system to upgrade the Wien spin rotator to be compatible with the 200 keV beam. This required Solidworks modeling, CST and Opera electro- and magnetostatic simulations, upgrading HV vacuum feedthroughs, and assembly techniques for improving electrode alignment. The electric and magnetic fields required by the Wien condition and the successful HV characterization under vacuum conditions are also presented
Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2
SHIP1, an inositol 5-phosphatase, plays a central role in cellular signaling. As such, it has been implicated in many conditions. Exploiting SHIP1 as a drug target will require structural knowledge and the design of selective small molecules. We have determined apo, and magnesium and phosphate-bound structures of the phosphatase and C2 domains of SHIP1. The C2 domains of SHIP1 and the related SHIP2 modulate the activity of the phosphatase domain. To understand the mechanism, we performed activity assays, hydrogen-deuterium exchange mass spectrometry, and molecular dynamics on SHIP1 and SHIP2. Our findings demonstrate that the influence of the C2 domain is more pronounced for SHIP2 than SHIP1. We determined 91 structures of SHIP1 with fragments bound, with some near the interface between the two domains. We performed a mass spectrometry screen and determined four structures with covalent fragments. These structures could act as starting points for the development of potent, selective probes
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