Disease effects on reproduction can cause population cycles in seasonal environments

Recent studies of rodent populations have demonstrated that certain parasites can cause juveniles to delay maturation until the next reproductive season. Furthermore, a variety of parasites may share the same host, and evidence is beginning to accumulate showing nonindependent effects of different infections.We investigated the consequences for host population dynamics of a disease-induced period of no reproduction, and a chronic reduction in fecundity following recovery from infection (such as may be induced by secondary infections) using a modified SIR (susceptible, infected, recovered) model. We also included a seasonally varying birth rate as recent studies have demonstrated that seasonally varying parameters can have important effects on long-term host–parasite dynamics. We investigated the model predictions using parameters derived from five different cyclic rodent populations.Delayed and reduced fecundity following recovery from infection have no effect on the ability of the disease to regulate the host population in the model as they have no effect on the basic reproductive rate. However, these factors can influence the long-term dynamics including whether or not they exhibit multiyear cycles.The model predicts disease-induced multiyear cycles for a wide range of realistic parameter values. Host populations that recover relatively slowly following a disease-induced population crash are more likely to show multiyear cycles. Diseases for which the period of infection is brief, but full recovery of reproductive function is relatively slow, could generate large amplitude multiyear cycles of several years in length. Chronically reduced fecundity following recovery can also induce multiyear cycles, in support of previous theoretical studies.When parameterized for cowpox virus in the cyclic field vole populations (Microtus agrestis) of Kielder Forest (northern England), the model predicts that the disease must chronically reduce host fecundity by more than 70%, following recovery from infection, for it to induce multiyear cycles. When the model predicts quasi-periodic multiyear cycles it also predicts that seroprevalence and the effective date of onset of the reproductive season are delayed density-dependent, two phenomena that have been recorded in the field

Influence of the Crystallisation Solution Environment on the Structural Pathway from Solute Solvation to the Polymorphic Forms of Tolfenamic Acid

The influence of the solution environment on the solution crystallisation of the conformational polymorphic forms I and II of tolfenamic acid is assessed through integration of multi-scale (molecular, cluster and crystallographic) modelling with polymorphic screening using polythermal crystallisation as a function of solvent selection. Solid-state analysis reveals the contrasting crystal chemistry with the strongest synthon involving hydrogen bonding synthons and π–π van der Waals interactions for forms I and II, respectively. Analysis of the molecular conformational energies reveals molecular structures for forms I and II to be very close which is matched by their calculated lattice energies. Crystallisation as a function of both solute concentration and solution cooling rate reveals form II to be mostly more preferred than form I. The higher stability of the form II conformer together with its easier conformational adjustment during the formation of form II crystals, is consistent with its greater crystallisability compared to the more stable form I. Solute concentration analysis of the relative stabilities of the two forms as a function of their sizes reveals that smaller cluster sizes are required to stabilise the crystal structure for form I with respect to form II. Polymorphic screening as a function of solvent confirms the predicted poor crystallisability of form I whose crystallisation is preferred at higher initial solute concentrations and lower cooling rates in polar solvents but less so for the more apolar solvent toluene, the latter being consistent with π–π solute/solvent interactions promoting the formation of hydrogen bonded solute/solute synthons at the expense of π–π interactions. Modelling work correlates well with the observed crystallisation behaviour, highlighting the importance of understanding solvent selection and solution state structure at the molecular-scale level for directing polymorphic outcomes, as confirmed by the higher crystallisability of the metastable form II

The Influence of Solvent Selection upon the Crystallizability and Nucleation Kinetics of Tolfenamic Acid Form II

The influence of the solution environment on the solution thermodynamics, crystallizability, and nucleation of tolfenamic acid (TFA) in five different solvents (isopropanol, ethanol, methanol, toluene, and acetonitrile) is examined using an integrated workflow encompassing both experimental studies and intermolecular modeling. The solubility of TFA in isopropanol is found to be the highest, consistent with the strongest solvent–solute interactions, and a concomitantly higher than ideal solubility. The crystallizability is found to be highly dependent on the solvent type with the overall order being isopropanol < ethanol < methanol < toluene < acetonitrile with the widest solution metastable zone width in isopropanol (24.49 to 47.41 °C) and the narrowest in acetonitrile (8.23 to 16.17 °C). Nucleation is found to occur via progressive mechanism in all the solvents studied. The calculated nucleation parameters reveal a considerably higher interfacial tension and larger critical nucleus radius in the isopropanol solutions, indicating the higher energy barrier hindering nucleation and hence lowering the nucleation rate. This is supported by diffusion coefficient measurements which are lowest in isopropanol, highlighting the lower molecular diffusion in the bulk of solution compared to the other solutions. The TFA concentration and critical supersaturation at the crystallization onset is found to be directly correlated with TFA/isopropanol solutions having the highest values of solubility and critical supersaturation. Intermolecular modeling of solute–solvent interactions supports the experimental observations of the solubility and crystallizability, highlighting the importance of understanding solvent selection and solution state structure at the molecular level in directing the solubility, solute mass transfer, crystallizability, and nucleation kinetics

Infrared Behaviour of The Gluon Propagator in Non-Equilibrium Situations

The infrared behaviour of the medium modified gluon propagator in non-equilibrium situations is studied in the covariant gauge using the Schwinger-Keldysh closed-time path formalism. It is shown that the magnetic screening mass is non-zero at the one loop level whenever the initial gluon distribution function is non isotropic with the assumption that the distribution function of the gluon is not divergent at zero transverse momentum. For isotropic gluon distribution functions, such as those describing local equilibrium, the magnetic mass at one loop level is zero which is consistent with finite temperature field theory results. Assuming that a reasonable initial gluon distribution function can be obtained from a perturbative QCD calculation of minijets, we determine these out of equilibrium values for the initial magnetic and Debye screening masses at energy densities appropriate to RHIC and LHC. We also compare the magnetic masses obtained here with those obtained using finite temperature lattice QCD methods at similar temperatures at RHIC and LHC.Comment: 21 pages latex, 4 figures, final version to be published in Phys. Rev.

Characterization and identification of dityrosine cross-linked peptides using tandem mass spectrometry

The use of mass spectrometry coupled with chemical cross-linking of proteins has become a powerful tool for proteins structure and interactions studies. Unlike structural analysis of proteins using chemical reagents specific for lysine or cysteine residues, identification of gas-phase fragmentation patterns of endogenous dityrosine cross-linked peptides have not been investigated. Dityrosine cross-linking in proteins and peptides are clinical markers of oxidative stress, aging, and neurodegenerative diseases including Alzheimer’s disease and Parkinson’s disease. In this study, we investigated and characterized the fragmentation pattern of a synthetically prepared dityrosine cross-linked dimer of Aβ(1–16) using ESI tandem mass spectrometry. We then detailed the fragmentation pattern of dityrosine cross-linked Aβ(1–16), using collision induced dissociation (CID), higher-energy collision induced dissociation (HCD), electron transfer dissociation (ETD), and electron capture dissociation (ECD). Application of these generic fragmentation rules of dityrosine cross-linked peptides allowed for the identification of dityrosine cross-links in peptides of Aβ and α-synuclein generated in vitro by enzymatic peroxidation. We report, for the first time, the dityrosine cross-linked residues in human hemoglobin and α-synuclein under oxidative conditions. Together these tools open up the potential for automated analysis of this naturally occurring post-translation modification in neurodegenerative diseases as well as other pathological conditions

Spontaneous chiral symmetry breaking in the linked cluster expansion

We investigate dynamical chiral symmetry breaking in the Coulomb gauge Hamiltonian QCD. Within the framework of the linked cluster expansion we extend the BCS ansatz for the vacuum and include correlation beyond the quark-antiquark paring. In particular we study the effects of the three-body correlations involving quark-antiquark and transverse gluons. The high momentum behavior of the resulting gap equation is discussed and numerical computation of the chiral symmetry breaking is presented.Comment: 13 pages, 9 figure