Limitations of atom-centered dielectric functions in implicit solvent models

Many recent advances in Poisson-Boltzmann and generalized Born implicit solvent models have used atom-centered polynomial or Gaussian functions to define the boundary separating low and high dielectric regions. In contrast to the Lee and Richards molecular surface, atom-centered surfaces result in interatomic crevices and buried pockets of high dielectric which are too small for a solvent molecule to occupy. We show that these interstitial high dielectric regions are of significant magnitude in globular proteins, that they artificially increase solvation energies, and that they distort the free energy surface of nonbonded interactions. These results suggest that implicit solvent dielectric functions must exclude interstitial high dielectric regions in order to yield physically meaningful results.     

Novel search for heavy nu mixing from the beta+ decay of 38mK confined in an atom trap

A new technique, full neutrino momentum reconstruction, is used to set limits on the admixture of heavy neutrinos into the electron neutrino. We measure coincidences between nuclear recoils and positrons from the beta decay of trapped radioactive atoms and deduce the neutrino momentum. A search for peaks in the reconstructed recoil time-of-flight spectrum as a function of positron energy is performed. The admixture upper limits range from 4 x 10(-3) to 2 x 10(-2) and are the best direct limits for neutrinos (as opposed to antineutrinos) for the mass region of 0.7 to 3.5 MeV.     

Normal cones of monomial primes

We explicitly calculate the normal cones of all monomial primes which define the curves of the form , where . All of these normal cones are reduced and Cohen-Macaulay, and their reduction numbers are independent of the reduction. These monomial primes are new examples of integrally closed ideals for which the product with the maximal homogeneous ideal is also integrally closed.

Substantial use was made of the computer algebra packages Maple and Macaulay2.

     

Experimental results on neutrino-electron scattering

A determination of sin² θ _w based on measurements of elastic scattering of muon-neutrinos and muon-anti-neutrinos on atomic electrons is described. These purely leptonic processes were studied using the CHARM calorimeter exposed to neutrino and antineutrino wide-band beams at the CERN super proton synchrotron. A total of 83±16 neutrino-electron and 112±21 antineutrino-electron events have been detected. From the measurement of the ratio of muon-neutrino and muon-antineutrino cross-sections a value of sin² θ _w =0.211±0.037 was obtained.     

Of Ghosts, Gauge Volumes, and Gauss's Law

The relationship between the canonical operator and the path integral formulation of quantum electrodynamics is analyzed with a particular focus on the implementation of gauge constraints in the two approaches. The removal of gauge volumes in the path integral is shown to match with the presence of zero-norm ghost states associated with gauge transformations in the canonical operator approach. The path integrals for QED in both the Feynman and the temporal gauges are examined and several ways of implementing the gauge constraint integrations are demonstrated. The upshot is to show that both the Feynman and the temporal gauge path integrals are equivalent to the Coulomb gauge path integral, matching the results developed by Kurt Haller using the canonical formalism. In addition, the Faddeev–Popov form for the Feynman gauge and temporal gauge Lagrangian path integrals are derived from the Hamiltonian form of the path integral.     

Beta–neutrino correlation experiments on laser trapped 38mK, 37K

Laser trapping and cooling techniques are now being applied to the study of nuclear β-decay at several labs. A magneto-optical trap (MOT) provides a localized source of atoms suspended in space, so the low-energy recoiling nuclei can freely escape and be detected in coincidence with the β. This allows reconstruction of the neutrino momentum, and the deduction of the β-v correlation in a more direct fashion than previously possible. In addition, the nuclei can be polarized by atomic techniques, opening a new class of spin correlation measurements to test the degree to which parity is maximally violated in the weak interaction. Our present experiment has detected several hundred thousand recoil-β⁺ coincidences from the 0⁺ → 0⁺ pure Fermi decay of ^38mK, produced at the on-line isotope separators TISOL and ISAC at TRIUMF. Our goal is to set constraints on non-Standard Model scalar bosons competitive with high-energy colliders and more conventional β-v correlation experiments. This revised version was published online in August 2006 with corrections to the Cover Date.     

Decomposition of overlapping plasmagram peaks by spectral subtraction

Low field atmospheric pressure Ion Mobility Spectroscopy (IMS) involves the careful analysis of plasmagrams with multiple peaks which can mask one another when they are closely spaced in drift time or corresponding reduced mobility. A typical signal processing approach to decomposing overlapped peaks would be to use an orthogonal decomposition technique, but unfortunately Gaussian-like functions are not orthogonal, so no unique decomposition can be guaranteed. However, each ion species in the drift tube will arrive at the Faraday plate with a known statistical distribution determined by the IMS instrument’s drift tube design, electric field strength, reagent gas flow and other instrument-specific factors such as the ion gate function. This paper presents a straightforward algorithm for decomposing plasmagrams into distinct peaks using a subtractive technique that independently estimates the statistical parameters of each peak, rejecting spurious peaks and electrical noise. The results show that for relatively short gate times, the plasmagram peaks are nearly Gaussian-shaped, but slightly fatter and asymmetric. We show that including of the gate rise and fall times is also significant in matching the plasmagram peak shape. We also show that the diffusion effects on resolution can be attributed to combinations of non-uniform ion distributions in the reaction chamber as well as detritus effects in the drift tube. Given the known peaks statistical parameters, one can then separate overlapping peaks using a straightforward spectral subtractive technique.