526 research outputs found
Self-consistent Green's function approaches
We present the fundamental techniques and working equations of many-body
Green's function theory for calculating ground state properties and the
spectral strength. Green's function methods closely relate to other polynomial
scaling approaches discussed in chapters 8 and 10. However, here we aim
directly at a global view of the many-fermion structure. We derive the working
equations for calculating many-body propagators, using both the Algebraic
Diagrammatic Construction technique and the self-consistent formalism at finite
temperature. Their implementation is discussed, as well as the inclusion of
three-nucleon interactions. The self-consistency feature is essential to
guarantee thermodynamic consistency. The pairing and neutron matter models
introduced in previous chapters are solved and compared with the other methods
in this book.Comment: 58 pages, 14 figures, Submitted to Lect. Notes Phys., "An advanced
course in computational nuclear physics: Bridging the scales from quarks to
neutron stars", M. Hjorth-Jensen, M. P. Lombardo, U. van Kolck, Editor
A Halomethane thermochemical network from iPEPICO experiments and quantum chemical calculations
Internal energy selected halomethane cations CH3Cl+, CH2Cl2+, CHCl3+, CH3F+, CH2F2+, CHClF2+ and CBrClF2+ were prepared by vacuum ultraviolet photoionization, and their lowest energy dissociation channel studied using imaging photoelectron photoion coincidence spectroscopy (iPEPICO). This channel involves hydrogen atom loss for CH3F+, CH2F2+ and CH3Cl+, chlorine atom loss for CH2Cl2+, CHCl3+ and CHClF2+, and bromine atom loss for CBrClF2+. Accurate 0 K appearance energies, in conjunction with ab initio isodesmic and halogen exchange reaction energies, establish a thermochemical network, which is optimized to update and confirm the enthalpies of formation of the sample molecules and their dissociative photoionization products. The ground electronic states of CHCl3+, CHClF2+ and CBrClF2+ do not confirm to the deep well assumption, and the experimental breakdown curve deviates from the deep well model at low energies. Breakdown curve analysis of such shallow well systems supplies a satisfactorily succinct route to the adiabatic ionization energy of the parent molecule, particularly if the threshold photoelectron spectrum is not resolved and a purely computational route is unfeasible. The ionization energies have been found to be 11.47 ± 0.01 eV, 12.30 ± 0.02 eV and 11.23 ± 0.03 eV for CHCl3, CHClF2 and CBrClF2, respectively. The updated 0 K enthalpies of formation, ∆fHo0K(g) for the ions CH2F+, CHF2+, CHCl2+, CCl3+, CCl2F+ and CClF2+ have been derived to be 844.4 ± 2.1, 601.6 ± 2.7, 890.3 ± 2.2, 849.8 ± 3.2, 701.2 ± 3.3 and 552.2 ± 3.4 kJ mol–1, respectively. The ∆fHo0K(g) values for the neutrals CCl4, CBrClF2, CClF3, CCl2F2 and CCl3F and have been determined to be –94.0 ± 3.2, –446.6 ± 2.7, –702.1 ± 3.5, –487.8 ± 3.4 and –285.2 ± 3.2 kJ mol–1, respectively
Functional Diversity and Structural Disorder in the Human Ubiquitination Pathway
The ubiquitin-proteasome system plays a central role in cellular regulation and protein quality control (PQC). The system is built as a pyramid of increasing complexity, with two E1 (ubiquitin activating), few dozen E2 (ubiquitin conjugating) and several hundred E3 (ubiquitin ligase) enzymes. By collecting and analyzing E3 sequences from the KEGG BRITE database and literature, we assembled a coherent dataset of 563 human E3s and analyzed their various physical features. We found an increase in structural disorder of the system with multiple disorder predictors (IUPred - E1: 5.97%, E2: 17.74%, E3: 20.03%). E3s that can bind E2 and substrate simultaneously (single subunit E3, ssE3) have significantly higher disorder (22.98%) than E3s in which E2 binding (multi RING-finger, mRF, 0.62%), scaffolding (6.01%) and substrate binding (adaptor/substrate recognition subunits, 17.33%) functions are separated. In ssE3s, the disorder was localized in the substrate/adaptor binding domains, whereas the E2-binding RING/HECT-domains were structured. To demonstrate the involvement of disorder in E3 function, we applied normal modes and molecular dynamics analyses to show how a disordered and highly flexible linker in human CBL (an E3 that acts as a regulator of several tyrosine kinase-mediated signalling pathways) facilitates long-range conformational changes bringing substrate and E2-binding domains towards each other and thus assisting in ubiquitin transfer. E3s with multiple interaction partners (as evidenced by data in STRING) also possess elevated levels of disorder (hubs, 22.90% vs. non-hubs, 18.36%). Furthermore, a search in PDB uncovered 21 distinct human E3 interactions, in 7 of which the disordered region of E3s undergoes induced folding (or mutual induced folding) in the presence of the partner. In conclusion, our data highlights the primary role of structural disorder in the functions of E3 ligases that manifests itself in the substrate/adaptor binding functions as well as the mechanism of ubiquitin transfer by long-range conformational transitions. © 2013 Bhowmick et al
A Glucose Fuel Cell for Implantable Brain–Machine Interfaces
We have developed an implantable fuel cell that generates power through glucose oxidation, producing steady-state power and up to peak power. The fuel cell is manufactured using a novel approach, employing semiconductor fabrication techniques, and is therefore well suited for manufacture together with integrated circuits on a single silicon wafer. Thus, it can help enable implantable microelectronic systems with long-lifetime power sources that harvest energy from their surrounds. The fuel reactions are mediated by robust, solid state catalysts. Glucose is oxidized at the nanostructured surface of an activated platinum anode. Oxygen is reduced to water at the surface of a self-assembled network of single-walled carbon nanotubes, embedded in a Nafion film that forms the cathode and is exposed to the biological environment. The catalytic electrodes are separated by a Nafion membrane. The availability of fuel cell reactants, oxygen and glucose, only as a mixture in the physiologic environment, has traditionally posed a design challenge: Net current production requires oxidation and reduction to occur separately and selectively at the anode and cathode, respectively, to prevent electrochemical short circuits. Our fuel cell is configured in a half-open geometry that shields the anode while exposing the cathode, resulting in an oxygen gradient that strongly favors oxygen reduction at the cathode. Glucose reaches the shielded anode by diffusing through the nanotube mesh, which does not catalyze glucose oxidation, and the Nafion layers, which are permeable to small neutral and cationic species. We demonstrate computationally that the natural recirculation of cerebrospinal fluid around the human brain theoretically permits glucose energy harvesting at a rate on the order of at least 1 mW with no adverse physiologic effects. Low-power brain–machine interfaces can thus potentially benefit from having their implanted units powered or recharged by glucose fuel cells
Formation of the in Two-Photon Collisions at LEP
The two-photon width of the meson has been
measured with the L3 detector at LEP. The is studied in the decay
modes , KK, KK,
KK, , , and
using an integrated luminosity of 140 pb at GeV and
of 52 pb at GeV. The result is
(BR) keV. The dependence of the cross section is studied for
GeV. It is found to be better described by a Vector Meson
Dominance model form factor with a J-pole than with a -pole. In addition,
a signal of events is observed at the mass. Upper limits
for the two-photon widths of the , , and are also
given
Search for Charginos with a Small Mass Difference with the Lightest Supersymmetric Particle at \sqrt{s} = 189 GeV
A search for charginos nearly mass-degenerate with the lightest
supersymmetric particle is performed using the 176 pb^-1 of data collected at
189 GeV in 1998 with the L3 detector. Mass differences between the chargino and
the lightest supersymmetric particle below 4 GeV are considered. The presence
of a high transverse momentum photon is required to single out the signal from
the photon-photon interaction background. No evidence for charginos is found
and upper limits on the cross section for chargino pair production are set. For
the first time, in the case of heavy scalar leptons, chargino mass limits are
obtained for any \tilde{\chi}^{+-}_1 - \tilde{\chi}^0_1 mass difference
Direct Observation of Longitudinally Polarised W Bosons
The three different helicity states of W bosons, produced in the reaction
e+e- -> W+W- -> l nu q q~ are studied using leptonic and hadronic W decays at
sqrt{s}=183GeV and 189GeV. The W polarisation is also measured as a function of
the scattering angle between the W- and the direction of the e- beam. The
analysis demonstrates that W bosons are produced with all three helicities, the
longitudinal and the two transverse states. Combining the results from the two
center-of-mass energies and with leptonic and hadronic W decays, the fraction
of longitudinally polarised W bosons is measured to be 0.261 +/- 0.051(stat.)
+/- 0.016(syst.) in agreement with the expectation from the Standard Model
Search for Low Scale Gravity Effects in e+e- Collisions at LEP
Recent theories propose that quantum gravity effects may be observable at LEP
energies via gravitons that couple to Standard Model particles and propagate
into extra spatial dimensions. The associated production of a graviton and a
photon is searched for as well as the effects of virtual graviton exchange in
the processes: e+e- -> gamma gamma, ZZ, WW, mu mu, tau tau, qq and ee No
evidence for this new interaction is found in the data sample collected by the
L3 detector at LEP at centre-of-mass energies up to 183 GeV. Limits close to 1
TeV on the scale of this new scenario of quantum gravity are set
Search for Scalar Leptons in e+e- collisions at \sqrt{s}=189 GeV
We report the result of a search for scalar leptons in e+e- collisions at 189
GeV centre-of-mass energy at LEP. No evidence for such particles is found in a
data sample of 176 pb^{-1}. Improved upper limits are set on the production
cross sections for these new particles. New exclusion contours in the parameter
space of the Minimal Supersymmetric Standard Model are derived, as well as new
lower limits on the masses of these supersymmetric particles. Under the
assumptions of common gaugino and scalar masses at the GUT scale, we set an
absolute lower limit on the mass of the lightest scalar electron of 65.5 Ge
Study of Z Boson Pair Production in e+e- Collisions at LEP at \sqrt{s}=189 GeV
The pair production of Z bosons is studied using the data collected by the L3
detector at LEP in 1998 in e+e- collisions at a centre-of-mass energy of 189
GeV. All the visible final states are considered and the cross section of this
process is measured to be 0.74 +0.15 -0.14 (stat.) +/- 0.04 (syst.) pb. Final
states containing b quarks are enhanced by a dedicated selection and their
production cross section is found to be 0.18 +0.09 -0.07 (stat.) +/- 0.02
(syst.) pb. Both results are in agreement with the Standard Model predictions.
Limits on anomalous couplings between neutral gauge bosons are derived from
these measurements
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