652 research outputs found
A theoretical study of the aerodynamic characteristics of lifting-body entry vehicles Summary report, Mar. 1965 - Mar. 1966
Aerodynamic characteristics of lifting-body entry vehicle
Phase field modeling of electrochemistry II: Kinetics
The kinetic behavior of a phase field model of electrochemistry is explored
for advancing (electrodeposition) and receding (electrodissolution) conditions
in one dimension. We described the equilibrium behavior of this model in [J. E.
Guyer, W. J. Boettinger, J.A. Warren, and G. B. McFadden, ``Phase field
modeling of electrochemistry I: Equilibrium'', cond-mat/0308173]. We examine
the relationship between the parameters of the phase field method and the more
typical parameters of electrochemistry. We demonstrate ohmic conduction in the
electrode and ionic conduction in the electrolyte. We find that, despite making
simple, linear dynamic postulates, we obtain the nonlinear relationship between
current and overpotential predicted by the classical ``Butler-Volmer'' equation
and observed in electrochemical experiments. The charge distribution in the
interfacial double layer changes with the passage of current and, at
sufficiently high currents, we find that the diffusion limited deposition of a
more noble cation leads to alloy deposition with less noble species.Comment: v3: To be published in Phys. Rev. E v2: Attempt to work around
turnpage bug. Replaced color Fig. 4a with grayscale 13 pages, 7 figures in 10
files, REVTeX 4, SIunits.sty, follows cond-mat/030817
How does iron interact with sporopollenin exine capsules? An X-ray absorption study including microfocus XANES and XRF imaging
Sporopollenin exine capsules (SECs) derived from plant spores and pollen grains have been proposed as adsorption, remediation and drug delivery agents. Despite many studies there is scant structural data available. This X-ray absorption investigation represents the first direct structural data on the interaction of metals with SECs and allows elucidation of their structure–property relationships. Fe K-edge XANES and EXAFS data have shown that the iron local environment in SECs (derived from Lycopodium clavatum) reacted with aqueous ferric chloride solutions is similar to that of ferrihydrite (FeOOH) and by implication ferritin. Fe Kα XRF micro-focus experiments show that there is a poor correlation between the iron distribution and the underlying SEC structure indicating that the SEC is coated in the FeOOH material. In contrast, the Fe Kα XRF micro-focus experiments on SECs reacted with aqueous ferrous chloride solutions show that there is a very high correlation between the iron distribution and the SEC structure, indicating a much more specific form of interaction of the iron with the SEC surface functional groups. Fe K-edge XANES and EXAFS data show that the FeII can be easily oxidised to give a structure similar to, but not identical to that in the FeIII case, and that even if anaerobic conditions are used there is still partial oxidation to FeIII
The Good, the Bad, and the Ugly: Agonistic Behaviour in Juvenile Crocodilians
We examined agonistic behaviour in seven species of hatchling and juvenile crocodilians held in small groups (N = 4) under similar laboratory conditions. Agonistic interactions occurred in all seven species, typically involved two individuals, were short in duration (5–15 seconds), and occurred between 1600–2200 h in open water. The nature and extent of agonistic interactions, the behaviours displayed, and the level of conspecific tolerance varied among species. Discrete postures, non-contact and contact movements are described. Three of these were species-specific: push downs by C. johnstoni; inflated tail sweeping by C. novaeguineae; and, side head striking combined with tail wagging by C. porosus. The two long-snouted species (C. johnstoni and G. gangeticus) avoided contact involving the head and often raised the head up out of the way during agonistic interactions. Several behaviours not associated with aggression are also described, including snout rubbing, raising the head up high while at rest, and the use of vocalizations. The two most aggressive species (C. porosus, C. novaeguineae) appeared to form dominance hierarchies, whereas the less aggressive species did not. Interspecific differences in agonistic behaviour may reflect evolutionary divergence associated with morphology, ecology, general life history and responses to interspecific conflict in areas where multiple species have co-existed. Understanding species-specific traits in agonistic behaviour and social tolerance has implications for the controlled raising of different species of hatchlings for conservation, management or production purposes
Phase field modeling of electrochemistry I: Equilibrium
A diffuse interface (phase field) model for an electrochemical system is
developed. We describe the minimal set of components needed to model an
electrochemical interface and present a variational derivation of the governing
equations. With a simple set of assumptions: mass and volume constraints,
Poisson's equation, ideal solution thermodynamics in the bulk, and a simple
description of the competing energies in the interface, the model captures the
charge separation associated with the equilibrium double layer at the
electrochemical interface. The decay of the electrostatic potential in the
electrolyte agrees with the classical Gouy-Chapman and Debye-H\"uckel theories.
We calculate the surface energy, surface charge, and differential capacitance
as functions of potential and find qualitative agreement between the model and
existing theories and experiments. In particular, the differential capacitance
curves exhibit complex shapes with multiple extrema, as exhibited in many
electrochemical systems.Comment: v3: To be published in Phys. Rev. E v2: Added link to
cond-mat/0308179 in References 13 pages, 6 figures in 15 files, REVTeX 4,
SIUnits.sty. Precedes cond-mat/030817
Diffuse-Charge Dynamics in Electrochemical Systems
The response of a model micro-electrochemical system to a time-dependent
applied voltage is analyzed. The article begins with a fresh historical review
including electrochemistry, colloidal science, and microfluidics. The model
problem consists of a symmetric binary electrolyte between parallel-plate,
blocking electrodes which suddenly apply a voltage. Compact Stern layers on the
electrodes are also taken into account. The Nernst-Planck-Poisson equations are
first linearized and solved by Laplace transforms for small voltages, and
numerical solutions are obtained for large voltages. The ``weakly nonlinear''
limit of thin double layers is then analyzed by matched asymptotic expansions
in the small parameter , where is the
screening length and the electrode separation. At leading order, the system
initially behaves like an RC circuit with a response time of
(not ), where is the ionic diffusivity, but nonlinearity
violates this common picture and introduce multiple time scales. The charging
process slows down, and neutral-salt adsorption by the diffuse part of the
double layer couples to bulk diffusion at the time scale, . In the
``strongly nonlinear'' regime (controlled by a dimensionless parameter
resembling the Dukhin number), this effect produces bulk concentration
gradients, and, at very large voltages, transient space charge. The article
concludes with an overview of more general situations involving surface
conduction, multi-component electrolytes, and Faradaic processes.Comment: 10 figs, 26 pages (double-column), 141 reference
Ecological genetics in the North Atlantic: environmental gradients and adaptation at specific loci
The North Atlantic intertidal community provides a rich set of organismal and environmental material for the study of ecological genetics. Clearly defined environmental gradients exist at multiple spatial scales: there are broad latitudinal trends in temperature, meso-scale changes in salinity along estuaries, and smaller scale gradients in desiccation and temperature spanning the intertidal range. The geology and geography of the American and European coasts provide natural replication of these gradients, allowing for population genetic analyses of parallel adaptation to environmental stress and heterogeneity. Statistical methods have been developed that provide genomic neutrality tests of population differentiation and aid in the process of candidate gene identification. In this paper, we review studies of marine organisms that illustrate associations between an environmental gradient and specific genetic markers. Such highly differentiated markers become candidate genes for adaptation to the environmental factors in question, but the functional significance of genetic variants must be comprehensively evaluated. We present a set of predictions about locus-specific selection across latitudinal, estuarine, and intertidal gradients that are likely to exist in the North Atlantic. We further present new data and analyses that support and contradict these simple selection models. Some taxa show pronounced clinal variation at certain loci against a background of mild clinal variation at many loci. These cases illustrate the procedures necessary for distinguishing selection driven by internal genomic vs. external environmental factors. We suggest that the North Atlantic intertidal community provides a model system for identifying genes that matter in ecology due to the clarity of the environmental stresses and an extensive experimental literature on ecological function. While these organisms are typically poor genetic and genomic models, advances in comparative genomics have provided access to molecular tools that can now be applied to taxa with well-defined ecologies. As many of the organisms we discuss have tight physiological limits driven by climatic factors, this synthesis of molecular population genetics with marine ecology could provide a sensitive means of assessing evolutionary responses to climate change
An association of mitochondrial haplotype with shell shape in the intertidal gastropod Littorina saxatilis
The high rates of substitution in mitochondrial genes and assumed neutrality of their polymorphisms encourage the use of mtDNA in phylogenetic and evolutionary studies. However, the true nature of the mitochondrial genome and its influence upon processes of adaptation and speciation are not fully understood, particularly where associations appear to exist between ‘neutral’ mitochondrial haplotypes and characteristics that are under direct selection. In snails, one such characteristic is shell shape. In this study a mitochondrial haplogroup is found to be confined towards one end of the spectrum of shell variation in an ecotype of the rough periwinkle Littorina saxatilis on a shore in the British Isles. We speculate that this may signal hitherto unexpected selection, and perhaps even some reproductive isolation between this group and the rest of the population, and we propose intergenomic coadaptation as a possible mechanism through which this occurs
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Development of a Novel Cell-Permeable Protein-Protein Interaction Inhibitor for the Polo-box Domain of Polo-like Kinase 1.
Polo-like kinase 1 (PLK1) is a key regulator of mitosis and a recognized drug target for cancer therapy. Inhibiting the polo-box domain of PLK1 offers potential advantages of increased selectivity and subsequently reduced toxicity compared with targeting the kinase domain. However, many if not all existing polo-box domain inhibitors have been shown to be unsuitable for further development. In this paper, we describe a novel compound series, which inhibits the protein-protein interactions of PLK1 via the polo-box domain. We combine high throughput screening with molecular modeling and computer-aided design, synthetic chemistry, and cell biology to address some of the common problems with protein-protein interaction inhibitors, such as solubility and potency. We use molecular modeling to improve the solubility of a hit series with initially poor physicochemical properties, enabling biophysical and biochemical characterization. We isolate and characterize enantiomers to improve potency and demonstrate on-target activity in both cell-free and cell-based assays, entirely consistent with the proposed binding model. The resulting compound series represents a promising starting point for further progression along the drug discovery pipeline and a new tool compound to study kinase-independent PLK functions
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