Atomic and molecular intracules for excited states

Intracules in position space, momentum space and phase space have been calculated for low-lying excited states of the He atom, Be atom, formaldehyde and butadiene. The phase-space intracules (Wigner intracules) provide significantly more information than the position- and momentum-space intracules, particularly for the Be atom. Exchange effects are investigated through the differences between corresponding singlet and triplet states.This work was supported by the Engineering and Physical Sciences Research Council through the award of an Advanced Research Fellowship (GR/R77636) to NAB and a Joint Research Equipment Initiative grant (GR/R62052)

Precursor ion scanning for detection and structural characterization of heterogeneous glycopeptide mixtures

AbstractThe structure of N-linked glycans is determined by a complex, anabolic, intracellular pathway but the exact role of individual glycans is not always clear. Characterization of carbohydrates attached to glycoproteins is essential to aid understanding of this complex area of biology. Specific mass spectral detection of glycopeptides from protein digests may be achieved by on-line HPLC-MS, with selected ion monitoring (SIM) for diagnostic product ions generated by cone voltage fragmentation, or by precursor ion scanning for terminal saccharide product ions, which can yield the same information more rapidly. When glycosylation is heterogeneous, however, these approaches can result in spectra that are complex and poorly resolved. We have developed methodology, based around precursor ion scanning for ions of high m/z, that allows site specific detection and structural characterization of glycans at high sensitivity and resolution. These methods have been developed using the standard glycoprotein, fetuin, and subsequently applied to the analysis of the N-linked glycans attached to the scrapie-associated prion protein, PrPSc. These glycans are highly heterogeneous and over 30 structures have been identified and characterized site specifically. Product ion spectra have been obtained on many glycopeptides confirming structure assignments. The glycans are highly fucosylated and carry Lewis X or sialyl Lewis X epitopes and the structures are in-line with previous results. [Abbreviations: Hex–Hexose, C6H12O6 carbohydrates, including mannnose and galactose; HexNAc—N-acetylhexosamine, C8H15NO6 carbohydrates, including N-acetylglucosamine and N-acetylgalactosamine; GlcNAc—N-acetylglucosamine; GalNAc—N-acetylgalactosamine; Fuc–Fucose; NeuAC—N-acetylneuraminic acid or sialic acid; TSE—Transmissible Spongiform Encephalopathy.

Comment on "Exclusion of time in the theorem of Bell" by K. Hess and W. Philipp

A recent Letter by Hess and Philipp claims that Bell's theorem neglects the possibility of time-like dependence in local hidden variables, hence is not conclusive. Moreover the authors claim that they have constructed, in an earlier paper, a local realistic model of the EPR correlations. However, they themselves have neglected the experimenter's freedom to choose settings, while on the other hand, Bell's theorem can be formulated to cope with time-like dependence. This in itself proves that their toy model cannot satisfy local realism, but we also indicate where their proof of its local realistic nature fails.Comment: Latex needs epl.cl

Charter and Party Boat Operators in the U.S. Gulf of Mexico: A Social Structure Perspective

To better address the charter and party boat fishery needs in the U.S. Gulf of Mexico, fishery managers must understand the linkages between the industry and other groups and organizations that affect its success. Gulf state charter and party boat operators were interviewed to ascertain the extent of their social network linkages, membership in community organizations, business community relationships, and linkages to information sources. Approximately one-third to one-half of the charter and party boat operators did not belong to local community organizations that could assist their business through tourism promotion or natural resource protection. Despite their limited integration in the community, the vast majority of operators gave and received referrals from other businesses. Of four major information sources, the National Weather Service and the County Marine Extension agents were rated highest and lowest, respectively, in mean importance to charter and party boat operators. Results suggest that business success can be enhanced by strengthening network ties between operators and local businesses, chambers of commerce, and tourism organizations. For this to occur, individual operators and charter/party boat organizations need to become more effective in representing industry interests. Informational linkages between industry and govemment agencies also need improvement

Thin-film GaAs photovoltaic solar energy cells Final report

Thin film gallium arsenide photovoltaic solar cell

Calcium binding activity of the epidermal growth factor-like domains of the apicomplexan microneme protein EtMIC4

Microneme proteins are secreted from apicomplexan parasites during invasion of host cells and they play crucial roles in parasite-host cell adhesion. EtMIC4 is a 240 kDa transmembrane protein from Eimeria tenella that contains 31 tandemly arranged epidermal growth factor (EGF), like repeats within its extracellular domain. The majority of these repeats have calcium binding (cb) consensus sequences. Little is known about cbEGFs in apicomplexan parasites but their presence in microneme proteins suggests that they may contribute to parasite-host interactions. To investigate the potential role of cbEGFs we have expressed and correctly refolded a cbEGF triplet from EtMIC4 (cbEGF7-9) and demonstrated that this triplet binds calcium. Circular dichroism spectroscopic analysis of cbEGF7-9 demonstrates that the molecule undergoes a gradual change in conformation with increasing levels of calcium. In the presence of calcium, the triplet becomes resistant to proteolytic degradation by a variety of proteases, a characteristic feature of cbEGF repeats from higher eukaryotic proteins, such as fibrillin, suggesting that calcium binding induces the formation of a rigid conformation. Moreover, mass spectrometric mapping of the cleavage sites that are protected by calcium shows that these sites are located both close to and distant from the calcium binding sites, indicating that protection is not due to steric hindrance by calcium ions, but rather due to the overall conformation adopted by the triplet in the presence of calcium. Thus, the tandemly-arranged cbEGF repeats within EtMIC4 provide a mechanism whereby, in the calcium-rich extracellular environment, the molecule could adopt a protease-resistant, rigid structure that could favour its interaction with host cell ligands

Triple cascade behaviour in QG and drift turbulence and generation of zonal jets

We study quasigeostrophic (QG) and plasma drift turbulence within the Charney-Hasegawa-Mima (CHM) model. We focus on the zonostrophy, an extra invariant in the CHM model, and on its role in the formation of zonal jets. We use a generalized Fjørtoft argument for the energy, enstrophy, and zonostrophy and show that they cascade anisotropically into nonintersecting sectors in k space with the energy cascading towards large zonal scales. Using direct numerical simulations of the CHM equation, we show that zonostrophy is well conserved, and the three invariants cascade as predicted by the Fjørtoft argument

Analytic Representation of The Dirac Equation

In this paper we construct an analytical separation (diagonalization) of the full (minimal coupling) Dirac equation into particle and antiparticle components. The diagonalization is analytic in that it is achieved without transforming the wave functions, as is done by the Foldy-Wouthuysen method, and reveals the nonlocal time behavior of the particle-antiparticle relationship. We interpret the zitterbewegung and the result that a velocity measurement (of a Dirac particle) at any instant in time is, as reflections of the fact that the Dirac equation makes a spatially extended particle appear as a point in the present by forcing it to oscillate between the past and future at speed c. From this we infer that, although the form of the Dirac equation serves to make space and time appear on an equal footing mathematically, it is clear that they are still not on an equal footing from a physical point of view. On the other hand, the Foldy-Wouthuysen transformation, which connects the Dirac and square root operator, is unitary. Reflection on these results suggests that a more refined notion (than that of unitary equivalence) may be required for physical systems

The presence of valine at residue 129 in human prion protein accelerates amyloid formation

The polymorphism at residue 129 of the human PRNP gene modulates disease susceptibility and the clinicopathological phenotypes in human transmissible spongiform encephalopathies. The molecular mechanisms by which the effect of this polymorphism are mediated remain unclear. It has been shown that the folding, dynamics and stability of the physiological, alpha-helix-rich form of recombinant PrP are not affected by codon 129 polymorphism. Consistent with this, we have recently shown that the kinetics of amyloid formation do not differ between protein containing methionine at codon 129 and valine at codon 129 when the reaction is initiated from the a-monomeric PrPC-like state. In contrast, we have shown that the misfolding pathway leading to the formation of beta-sheet-rich, soluble oligomer waS favoured by the presence of methionine, compared with valine, at position 129. In the present work, we examine the effect of this polymorphism on the kinetics of an alternative misfolding pathway, that of amyloid formation using partially folded PrP allelomorphs. We show that the valine 129 allelomorph forms amyloids with a considerably shorter lag phase than the methionine 129 allelomorph both under spontaneous conditions and when seeded with pre-formed amyloid fibres. Taken together, our studies demonstrate that the effect of the codon 129 polymorphism depends on the specific misfolding pathway and on the initial conformation of the protein. The inverse propensities of the two allelomorphs to misfold in vitro through the alternative oligomeric and amyloidogenic pathways could explain some aspects of prion diseases linked to this polymorphism such as age at onset and disease incubation time. (c) 2005 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved