A non-perturbative determination of Z_V and b_V for O(a) improved quenched and unquenched Wilson fermions

By considering the local vector current between nucleon states and imposing charge conservation we determine, for $O(a)$ improved Wilson fermions, its renormalisation constant and quark mass improvement coefficient. The computation is performed for both quenched and two flavour unquenched fermions.Comment: 3 pages, 4 figures, Lattice(2002)(improve

International Lattice Data Grid

We propose the co-ordination of lattice QCD grid developments in different countries to allow transparent exchange of gauge configurations in future, should participants wish to do so. We describe briefly UKQCD's XML schema for labelling and cataloguing the data. A meeting to further develop these ideas will be held in Edinburgh on 19/20 December 2002, and will be available over AccessGrid.Comment: Lattice2002(plenary

Methods development for Analysis of Partially Deglycosylated Proteins and Application to an HIV Envelope Protein Vaccine Candidate

The work presented herein describes the first comprehensive analysis of a partially deglycosylated HIV vaccine candidate envelope protein (Env). The Env, JRFL gp140 ΔCF, with 27 potential glycosylation sites, was partially deglycosylated with PNGase F as part of a strategy to generate a more immunogenic HIV vaccine, and the resulting protein’s glycosylation was characterized in a unique workflow using two different glycosidases, Endo H and Endo F3. This unique analysis protocol provided for coverage on 26 of the 27 glycosylation sites, and the data showed that the biochemical treatment with PNGase F resulted in a highly heterogeneous glycoprotein product that had been partially deglycosylated at most of the glycosylation sites. The protocols described in this work could be useful for characterizing the glycosylation site occupancy of other native or biochemically deglycosylated proteins

Glassy Dynamics of Protein Folding

A coarse grained model of a random polypeptide chain, with only discrete torsional degrees of freedom and Hookean springs connecting pairs of hydrophobic residues is shown to display stretched exponential relaxation under Metropolis dynamics at low temperatures with the exponent $\beta\simeq 1/4$, in agreement with the best experimental results. The time dependent correlation functions for fluctuations about the native state, computed in the Gaussian approximation for real proteins, have also been found to have the same functional form. Our results indicate that the energy landscape exhibits universal features over a very large range of energies and is relatively independent of the specific dynamics.Comment: RevTeX, 4 pages, multicolumn, including 5 figures; larger computations performed, error bars improve

Elastic properties of proteins: insight on the folding process and evolutionary selection of native structures

We carry out a theoretical study of the vibrational and relaxation properties of naturally-occurring proteins with the purpose of characterizing both the folding and equilibrium thermodynamics. By means of a suitable model we provide a full characterization of the spectrum and eigenmodes of vibration at various temperatures by merely exploiting the knowledge of the protein native structure. It is shown that the rate at which perturbations decay at the folding transition correlates well with experimental folding rates. This validation is carried out on a list of about 30 two-state folders. Furthermore, the qualitative analysis of residues mean square displacements (shown to accurately reproduce crystallographic data) provides a reliable and statistically accurate method to identify crucial folding sites/contacts. This novel strategy is validated against clinical data for HIV-1 Protease. Finally, we compare the spectra and eigenmodes of vibration of natural proteins against randomly-generated compact structures and regular random graphs. The comparison reveals a distinctive enhanced flexibility of natural structures accompanied by slow relaxation times at the folding temperature. The fact that these properties are intimately connected to the presence and assembly of secondary motifs hints at the special criteria adopted by evolution in the selection of viable folds.Comment: Revtex 17 pages, 13 eps figure

Laser Induced Breakdown Spectroscopy for In-Situ Monitoring of Laser Powder Bed Fusion Processing

A major challenge for laser powder bed fusion processes is identifying and addressing flaws in the as-built part. In-situ monitoring of the magnitude of radiation emitted from the vicinity of the melt pool largely corresponds to the temperature field. This has been correlated with the local porosity and microstructure of the part. However, the composition of the part can also vary, either because of processing conditions or differences in the powder. Spectroscopy has the potential to resolve material composition because spectral lines corresponding to atomic species present in the metal can be clearly observed. The line emission phenomena from ionization and excitation in the vapor plume is limited under standard LPBF conditions. Laser induced breakdown spectroscopy (LIBS) uses a pulsed laser to produce a localized plasma. This is demonstrated in LPBF using an ultrashort pulsed (USP) laser coaligned to the continuous wave (CW) process laser. The USP laser can be used to probe the melt pool and plume in-process, creating a plasma that is independent of the process conditions. This probing process has minimal adverse effects on the melt pool. LIBS can provide feedback about the local species content through time resolved spectroscopy and provides the potential for voxelwise composition information to be obtained from the material.Mechanical Engineerin

A high performance liquid chromatographic assay of Mefloquine in saliva after a single oral dose in healthy adult Africans

<p>Abstract</p> <p>Background</p> <p>Mefloquine-artesunate is a formulation of artemisinin based combination therapy (ACT) recommended by the World Health Organization and historically the first ACT used clinically. The use of ACT demands constant monitoring of therapeutic efficacies and drug levels, in order to ensure that optimum drug exposure is achieved and detect reduced susceptibility to these drugs. Quantification of anti-malarial drugs in biological fluids other than blood would provide a more readily applicable method of therapeutic drug monitoring in developing endemic countries. Efforts in this study were devoted to the development of a simple, field applicable, non-invasive method for assay of mefloquine in saliva.</p> <p>Methods</p> <p>A high performance liquid chromatographic method with UV detection at 220 nm for assaying mefloquine in saliva was developed and validated by comparing mefloquine concentrations in saliva and plasma samples from four healthy volunteers who received single oral dose of mefloquine. Verapamil was used as internal standard. Chromatographic separation was achieved using a Hypersil ODS column.</p> <p>Results</p> <p>Extraction recoveries of mefloquine in plasma or saliva were 76-86% or 83-93% respectively. Limit of quantification of mefloquine was 20 ng/ml. Agreement between salivary and plasma mefloquine concentrations was satisfactory (r = 0.88, <it>p </it>< 0.001). Saliva:plasma concentrations ratio was 0.42.</p> <p>Conclusion</p> <p>Disposition of mefloquine in saliva paralleled that in plasma, making salivary quantification of mefloquine potentially useful in therapeutic drug monitoring.</p

Swirl Flow Bioreactor coupled with Cu-alginate beads: A system for the eradication of Coliform and Escherichia coli from biological effluents.

It is estimated that approximately 1.1 billion people globally drink unsafe water. We previously reported both a novel copper-alginate bead, which quickly reduces pathogen loading in waste streams and the incorporation of these beads into a novel swirl flow bioreactor (SFB), of low capital and running costs and of simple construction from commercially available plumbing pipes and fittings. The purpose of the present study was to trial this system for pathogen reduction in waste streams from an operating Dewats system in Hinjewadi, Pune, India and in both simulated and real waste streams in Seattle, Washington, USA. The trials in India, showed a complete inactivation of coliforms in the discharged effluent (Mean Log removal Value (MLRV) = 3.51), accompanied by a total inactivation of E. coli with a MLRV of 1.95. The secondary clarifier effluent also showed a 4.38 MLRV in viable coliforms during treatment. However, the system was slightly less effective in reducing E. coli viability, with a MLRV of 1.80. The trials in Seattle also demonstrated the efficacy of the system in the reduction of viable bacteria, with a LRV of 5.67 observed of viable Raoultella terrigena cells (100%)

Structural resolvent estimates and derivative nonlinear Schrodinger equations

A refinement of uniform resolvent estimate is given and several smoothing estimates for Schrodinger equations in the critical case are induced from it. The relation between this resolvent estimate and radiation condition is discussed. As an application of critical smoothing estimates, we show a global existence results for derivative nonlinear Schrodinger equations.Comment: 21 page