Dynamic charge density correlation function in weakly charged polyampholyte globules

We study solutions of statistically neutral polyampholyte chains containing a large fraction of neutral monomers. It is known that, even if the quality of the solvent with respect to the neutral monomers is good, a long chain will collapse into a globule. For weakly charged chains, the interior of this globule is semi-dilute. This paper considers mainly theta-solvents, and we calculate the dynamic charge density correlation function g(k,t) in the interior of the globules, using the quadratic approximation to the Martin-Siggia-Rose generating functional. It is convenient to express the results in terms of dimensionless space and time variables. Let R be the blob size, and let T be the characteristic time scale at the blob level. Define the dimensionless wave vector q = R k, and the dimensionless time s = t/T. We find that for q<1, corresponding to length scales larger than the blob size, the charge density fluctuations relax according to g(q,s) = q^2(1-s^(1/2)) at short times s < 1, and according to g(q,s) = q^2 s^(-1/2) at intermediate times 1 < s 0.1, where entanglements are unimportant.Comment: 12 pages RevTex, 1 figure ps, PACS 61.25.Hq, reason replacement: Expression for dynamic corr. function g(k,t) in old version was incorrect (though expression for Fourier transform g(k,w) was correct, so the major part of the calculation remains.) Also major textual chang

Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel

The crystal structure of the open conformation of a bacterial voltage-gated sodium channel pore from Magnetococcus sp. (NaVMs) has provided the basis for a molecular dynamics study defining the channel’s full ion translocation pathway and conductance process, selectivity, electrophysiological characteristics, and ion-binding sites. Microsecond molecular dynamics simulations permitted a complete time-course characterization of the protein in a membrane system, capturing the plethora of conductance events and revealing a complex mixture of single and multi-ion phenomena with decoupled rapid bidirectional water transport. The simulations suggest specific localization sites for the sodium ions, which correspond with experimentally determined electron density found in the selectivity filter of the crystal structure. These studies have also allowed us to identify the ion conductance mechanism and its relation to water movement for the NavMs channel pore and to make realistic predictions of its conductance properties. The calculated single-channel conductance and selectivity ratio correspond closely with the electrophysiology measurements of the NavMs channel expressed in HEK 293 cells. The ion translocation process seen in this voltage-gated sodium channel is clearly different from that exhibited by members of the closely related family of voltage-gated potassium channels and also differs considerably from existing proposals for the conductance process in sodium channels. These studies simulate sodium channel conductance based on an experimentally determined structure of a sodium channel pore that has a completely open transmembrane pathway and activation gate

High-resolution radiation mapping to investigate FDNPP derived contaminant migration

AbstractAs of March 2016, five years will have passed since the earthquake and ensuing tsunami that crippled the Fukushima Daiichi Nuclear Power Plant on Japan’s eastern coast, resulting in the explosive release of significant quantities of radioactive material. Over this period, significant time and resource has been expended on both the study of the contamination as well as its remediation from the affected environments. Presented in this work is a high-spatial resolution foot-based radiation mapping study using gamma-spectrometry at a site in the contaminated Iitate Village; conducted at different times, seventeen months apart. The specific site selected for this work was one in which consistent uniform agriculture was observed across its entire extent. From these surveys, obtained from along the main northwest trending line of the fallout plume, it was possible to determine the rate of reduction in the levels of contamination around the site attributable to the natural decay of the radiocesium, remediation efforts or material transport. Results from the work suggest that neither the natural decay of radiocesium nor its downward migration through the soil horizons were responsible for the decline in measured activity levels across the site, with the mobilisation of contaminant species likely adhered to soil particulate and the subsequent fluvial transport responsible for the measurable reduction in activity. This transport of contaminant via fluvial methods has already well studied implications for the input of contaminant material entering the neighbouring Pacific Ocean, as well as the deposition of material along rivers within previously decontaminated areas

A model for gelation with explicit solvent effects: Structure and dynamics

We study a two-component model for gelation consisting of $f$-functional monomers (the gel) and inert particles (the solvent). After equilibration as a simple liquid, the gel particles are gradually crosslinked to each other until the desired number of crosslinks has been attained. At a critical crosslink density the largest gel cluster percolates and an amorphous solid forms. This percolation process is different from ordinary lattice or continuum percolation of a single species in the sense that the critical exponents are new. As the crosslink density $p$ approaches its critical value $p_c$, the shear viscosity diverges: $\eta(p)\sim (p_c-p)^{-s}$ with $s$ a nonuniversal concentration-dependent exponent.Comment: 6 pages, 9 figure

Cooling rate dependence of the antiferromagnetic domain structure of a single crystalline charge ordered manganite

The low temperature phase of single crystals of Nd$_{0.5}$Ca$_{0.5}$MnO$_3$ and Gd$_{0.5}$Ca$_{0.5}$MnO$_3$ manganites is investigated by squid magnetometry. Nd$_{0.5}$Ca$_{0.5}$MnO$_3$ undergoes a charge-ordering transition at $T_{CO}$=245K, and a long range CE-type antiferromagnetic state is established at $T_N$=145K. The dc-magnetization shows a cooling rate dependence below $T_N$, associated with a weak spontaneous moment. The associated excess magnetization is related to uncompensated spins in the CE-type antiferromagnetic structure, and to the presence in this state of fully orbital ordered regions separated by orbital domain walls. The observed cooling rate dependence is interpreted to be a consequence of the rearrangement of the orbital domain state induced by the large structural changes occurring upon cooling.Comment: REVTeX4; 7 pages, 4 figures. Revised 2001/12/0

Association of FCGR3A and FCGR3B haplotypes with rheumatoid arthritis and primary Sjögren's syndrome [POSTER PRESENTATION]

Background Rheumatoid arthritis (RA) is an autoimmune disease that is thought to arise from a complex interaction between multiple genetic factors and environmental triggers. We have previously demonstrated an association between a Fc gamma receptor (FcγR) haplotype and RA in a cross-sectional cohort of RA patients. We have sought to confirm this association in an inception cohort of RA patients and matched controls. We also extended our study to investigate a second autoanti-body associated rheumatic disease, primary Sjögren's syndrome (PSS). Methods The FCGR3A-158F/V and FCGR3B-NA1/NA2 functional polymorphisms were examined for association in an inception cohort of RA patients (n = 448), and a well-characterised PSS cohort (n = 83) from the United Kingdom. Pairwise disequilibrium coefficients (D') were calculated in 267 Blood Service healthy controls. The EHPlus program was used to estimate haplotype frequencies for patients and controls and to determine whether significant linkage disequilibrium was present. A likelihood ratio test is performed to test for differences between the haplotype frequencies in cases and controls. A permutation procedure implemented in this program enabled 1000 permutations to be performed on all haplotype associations to assess significance. Results There was significant linkage disequilibrium between FCGR3A and FCGR3B (D' = -0.445, P = 0.001). There was no significant difference in the FCGR3A or FCGR3B allele or genotype frequencies in the RA or PSS patients compared with controls. However, there was a significant difference in the FCGR3A-FCGR3B haplotype distributions with increased homozygosity for the FCGR3A-FCGR3B 158V-NA2 haplotype in both our inception RA cohort (odds ratio = 2.15, 95% confidence interval = 1.1–4.2 P = 0.027) and PSS (odds ratio = 2.83, 95% confidence interval = 1.0–8.2, P = 0.047) compared with controls. The reference group for these analyses comprised individuals who did not possess a copy of the FCGR3A-FCGR3B 158V-NA2 haplotype. Conclusions We have confirmed our original findings of association between the FCGR3A-FCGR3B 158V-NA2 haplotype and RA in a new inception cohort of RA patients. This suggests that there may be an RA-susceptibility gene at this locus. The significant increased frequency of an identical haplotype in PSS suggests the FcγR genetic locus may contribute to the pathogenesis of diverse autoantibody-mediated rheumatic diseases

Role of the E2g phonon in the superconductivity of MgB2: a Raman scattering study

Temperature dependent Raman scattering studies in polycrystalline MgB2(10<T<300 K)reveal that the E2g phonon does not experience any self energy renormalization effect across the superconducting critical temperature Tc ~ 40 K. In contrast, most of the current theoretical models rely on the role of the E2g phonon in the electron-phonon coupling mechanism of superconductivity in MgB2. According to these models, a hardening of 12% is expected below Tc at the Gamma point of the Brillouim zone. In the presence of our results, those models must be reviewed. The analysis of the temperature dependence of the E2g phonon frequency yields to a isobaric Gruneisen parameter of -1.2< gama(E2g)< 0.2, smaller than the value of 3.9 obtained from isothermal Raman experiments under pressure. It is suggested that this apparent disagreement can be explained in terms of pressure induced changes of the topology of the Fermi surface. Finally we notice that the phonon linewidth presents the expected two-phonon anharmonic decay as a function of T and no anomalous temperature dependence of the linewidth is observed near Tc.Comment: Published in Solid State Comm. 125, 499 (2003

Idealized Multigrid Algorithm for Staggered Fermions

An idealized multigrid algorithm for the computation of propagators of staggered fermions is investigated. Exemplified in four-dimensional $SU(2)$ gauge fields, it is shown that the idealized algorithm preserves criticality under coarsening. The same is not true when the coarse grid operator is defined by the Galerkin prescription. Relaxation times in computations of propagators are small, and critical slowing is strongly reduced (or eliminated) in the idealized algorithm. Unfortunately, this algorithm is not practical for production runs, but the investigations presented here answer important questions of principle.Comment: 11 pages, no figures, DESY 93-046; can be formatted with plain LaTeX article styl

Impact of Commercial Search Engines and International Databases on Engineering Teaching and Research

For the last three decades, the engineering higher education and professional environments have been completely transformed by the "electronic/digital information revolution" that has included the introduction of personal computer, the development of email and world wide web, and broadband Internet connections at home. Herein the writer compares the performances of several digital tools with traditional library resources. While new specialised search engines and open access digital repositories may fill a gap between conventional search engines and traditional references, these should be not be confused with real libraries and international scientific databases that encompass textbooks and peer-reviewed scholarly works. An absence of listing in some Internet search listings, databases and repositories is not an indication of standing. Researchers, engineers and academics should remember these key differences in assessing the quality of bibliographic "research" based solely upon Internet searches