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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 1293-1301 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Vibrating square well (SW) 2-mer, 4-mer, and 8-mer with average reduced bond lengths of 0.97±0.03, 0.60±0.03, and 0.40±0.03 were studied by discontinuous molecular dynamics (DMD) simulation in the NVE ensemble. Average bond angles for the reduced bond length of 0.4 were constrained to 127±16° while the longer bond lengths were freely jointed. Vapor–liquid equilibria of the vibrating SW fluids were determined based on DMD simulation by isochoric integration and compared to that of rigid SW chains from Gibbs ensemble Monte Carlo (MC) simulation. The binodals of vibrating chains show a shift to higher temperatures relative to rigid chains, reflecting their less repulsive (more attractive) nature. Vapor pressures of the vibrating chains were computed through isochoric integration with Clausius–Clapeyron consistency to 5% or better. Vapor pressure behavior for each chain model was characterized in terms of critical temperature, critical pressure, and acentric factor. The trend in acentric factor vs. chain length showed that shorter bond lengths gave improved agreement with the experimental trend for n-alkanes. Nevertheless, the trends in acentric factor did not support any molecular model for alkanes which represented methylene segments as individual SW interaction sites. If SW chains are to be applied as models of alkanes, each interaction site must be assigned more than one methylene segment. © 1999 American Institute of Physics.
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 3043-3048 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Results of molecular dynamics (MD) simulations on square-well fluids with λ=1.25, 1.375, 1.5, 1.75, and 2.0 are presented. The calculation of vapor-liquid equilibrium was performed by isochoric integration of the liquid NVE data to obtain the free energy of the liquid and equating this to the vapor free energy from a modified virial equation. The saturation pressure was investigated and compared with that from Monte Carlo simulation and second-order analytical perturbation theory. The vapor pressures from the isochoric integration technique are shown to be smoother than previous results, permitting accurate estimation of the effect of the square-well width on acentric factor. With the saturated properties from molecular dynamics, the f value used in Kofke's Gibbs-Duhem integration was calculated and was found to be nearly constant. The related integration of the Clapeyron equation was implemented as a check on thermodynamic consistency. Vapor pressures presented here are consistent to within 2%. © 1999 American Institute of Physics.
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  • 3
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Science Ltd
    Freshwater biology 42 (1999), S. 0 
    ISSN: 1365-2427
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology
    Notes: 1. The chief objective of the present study was to develop a functional model for the daily change in the total energy content of a brown trout, Salmo trutta , (equivalent to growth when positive) in relation to the difference between energy intake (energy content of food) and energy losses (metabolism + losses in faeces and excretory products). Energy budgets for individual fish were obtained in earlier experiments with 210 hatchery trout (live weight = 11–270 g) kept at fairly constant temperatures (mean values ranging from 3.6 to 20.4 °C), but without strict control of temperature or oxygen, and in later experiments, with 252 trout (1–300 g) bred from wild parents and kept at five constant temperatures (5, 10, 13, 15 and 18 °C) and 100% oxygen saturation. Each trout was fed a fixed ration of shrimps, Gammarus pulex, the ration level varying between zero and maximum.2. Energy intake (CIN, cal day−−1) was measured directly and expressed as a proportion (p) of the maximum energy intake (C, cal day−−1), the latter being estimated from a model developed earlier. In a new model, energy losses (CQ, cal day−−1) were expressed as a function of temperature, fish weight and ration level. This model was continuous over the 3.6–20.4 °C range, had twelve fitted parameters and was an excellent fit to the data for the 462 trout (P 〈 0.001, R2 = 0.9970). In an extended model, the weight exponent for energy losses was not assumed equal to that for energy intake, the difference between the two exponents being very small, but significant, with a slight improvement in the fit of the model (R2 increased to 0.9972).3. The limits of model use were discussed. An example of its utility was to elucidate the complex relationships between both positive (growth) and negative daily changes in the total energy content of the trout, and temperature, fish size and variable energy intake. The model has raised several questions for future work, including the effect of increasing energy intake by a change of diet from invertebrates to fish or fish pellets, and a comparison of growth models based on weight or energy changes.
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  • 4
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 32 (1999), S. 1069-1083 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A model-independent maximum-entropy method is presented which will produce a structural model from small-angle X-ray diffraction data of disordered systems using no other prior information. In this respect, it differs from conventional maximum-entropy methods which assume the form of scattering entities a priori. The method is demonstrated using a number of different simulated diffraction patterns, and applied to real data obtained from perfluorinated ionomer membranes, in particular Nafion™, and a liquid crystalline copolymer of 1,4-oxybenzoate and 2,6-oxynaphthoate (B–N).
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Cellular and molecular life sciences 56 (1999), S. 143-154 
    ISSN: 1420-9071
    Keywords: Key words. T cell selection; TCR gene rearrangement.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract. The assumption that T cells can only express a single receptor for antigen has in recent years been shown to be incorrect. However, the finding that a substantial number of T cells express two distinct antigen receptors at the cell surface raises a number of questions. In particular, it has been suggested that cells expressing low levels of a self-reactive T cell receptor may escape self-tolerance mechanisms and in certain situations trigger the onset of autoimmune disease. Such a hypothesis in turn raises questions central to the understanding of the nature of T cell recognition and the process of thymocyte maturation.
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Journal of materials science 10 (1999), S. 379-382 
    ISSN: 1573-4838
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Technology
    Notes: Abstract An X-ray attenuation method using photon counting (scanning microradiography) is presented for the real-time study of in vitro demineralization of dental tissues in the vicinity of the restoration–tooth interface. By repeated measurement of mineral content profiles during the course of demineralization, the pattern of lesion development and the rate of mineral loss can be studied. The method is illustrated by comparison of enamel demineralization near a polyacid-modified composite resin restoration, near a bis-GMA/TEGMA composite resin restoration, and in an unrestored control. The method has potential for study of the influence of restorative materials on susceptibility of tooth tissue to demineralization. ©©1999©Kluwer Academic Publishers
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Hydrobiologia 414 (1999), S. 45-51 
    ISSN: 1573-5117
    Keywords: phytoplankton; modelling; sensitivity analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The lake phytoplankton community model, PROTECH includes nested regression equations for the effect of surface:volume ratio, temperature and irradiance on growth rate. A sensitivity analysis was carried out of the effect of changing the regression slope coefficients on three aspects of the simulated output for Blelham Tarn, English Lake District, with fixed environmental variables. The assessed variables were K, the maximum biomass; K, time taken in days to reach K and the exponential growth rate, r'. It was found that the light adjustment equation was the most sensitive to changes in the slope parameters. Changes in the base growth rate and temperature adjustment functions had less effect. Because PROTECH uses the light adjustment equation the least, it was argued that any error caused by it was tolerable.
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  • 8
    ISSN: 1573-5117
    Keywords: phytoplankton ; modelling ; environment
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The phytoplankton community model, PROTECH, simulates algal growth and is sensitive to numerous environmental variables (temperature, depth, light, daylength, nutrient supply). This investigation examines the effects of altering, in turn, each of these variables upon the simulated algal growth. We compare these results with those predicted by a phytoplankton variation on Grime's C-S-R paradigm. Finally, it is concluded that PROTECH is a suitable tool for the exploration of community assembly in relation to the ecological theories of competition, succession and biodiversity.
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  • 9
    ISSN: 1573-2959
    Keywords: mink ; otter ; organochlorines ; PLBS ; TCDD
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract We investigated chlorinated hydrocarbon contaminants in aquatic mustelid species on the Fraser and Columbia Rivers of northwestern North America. Carcasses of river otter (Lutra canadensis) (N=24) and mink (Mustela vison) (N=34) were obtained from commercial trappers during the winters of 1990–91 and 1991–92. Pooled liver samples were analyzed for organochlorine pesticides, polychlorinated biphenyls (PCBs), including non-ortho congeners, polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs). Most samples contained detectable concentrations of DDE, PCBs, although there was substantial variability in patterns and trends among neighboring samples. Concentrations of DDE were in some mink and several otter samples from the lower Columbia River elevated (to 4700 μg/kg wet weight); excluding one mink sample from the Wenatchee area, mean DDE levels generally decreased between 1978–79 and 1990–92. PCBs were present in all samples. PCB concentrations in otter livers collected from the lower Columbia were ten-fold lower than measured a decade previously; nevertheless, a sample taken near Portland had a mean concentration of 1500 μg/kg, within a range of concentrations associated with reproductive effects in captive mink. Concentrations of 2,3,7,8-TCDD and TCDF were generally below detection limits, except for one otter collected near a pulp mill at Castlegar, on the upper Columbia, with 11 ng TCDD/kg in liver. Elevated concentrations of higher chlorinated PCDD/Fs, probably resulting from use of chlorophenolic wood preservatives, were found in both species; one otter sample from the lower Columbia had 2200 ng OCDD/kg. International TCDD toxic equivalent levels in mink (31 ng/kg) and otter (93 ng/kg) from the lower Columbia River approached toxicity thresholds for effects on reproduction in ranch mink.
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  • 10
    ISSN: 1573-3017
    Keywords: secondary poisoning ; brodifacoum ; bald eagle ; raven ; anticoagulant
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract Langara Island, at the north-western tip of British Columbia's Queen Charlotte archipelago, was once nesting grounds for an estimated 500,000 seabirds. However, infestations of Norway rats (Rattus norvegicus) and their predation of eggs and breeding adults have caused extirpation or serious declines of all seabird species. By 1993, the breeding population of ancient murrelets (Synthliboramphus antiquus) had declined to 10% of its historical size. Successful eradication of rats on smaller New Zealand islands using the anticoagulant brodifacoum prompted its application on Langara Island. The island is also home to breeding bald eagles (Haliaeetus leucocephalus), peregrine falcons (Falco peregrinus), and other wildlife. No comprehensive studies of non-target impacts and potential for secondary poisoning were done during similar operations elsewhere; thus, in 1994 and 1995 we initiated a two-year study into the risk of secondary poisoning to non-target species. During 1994, rat carcasses were laid out with motion sensor cameras to identify potential scavengers. Ravens, northwestern crows and bald eagles were photographed at carcasses, and therefore at risk of feeding on rats that die above ground. During the baiting program, 19 rats were radio-tagged to determine the proportion dying above ground, and thus available to predators/scavengers. Ravens were found poisoned both from feeding directly on the bait, and predating/scavenging poisoned rats. Bald eagles were trapped and blood sampled for brodifacoum residue analysis and prothrombin time evaluation; 15% of the sampled population showed detectable residues but no adversely-affected birds were found. We conclude that the use of brodifacoum for rat removal on seabird islands poses a clear risk of secondary poisoning to avian scavengers. This risk must be weighed against the benefit of rat removal programs.
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