The structure of enkephalin, a small neuropeptide with five amino acids, has been simulated on computers using molecular dynamics. Such simulations exhibit a few stable conformations, which also have been identified experimentally. The simulations provide the possibility to perform cluster analysis in the space defined by potentially pharmacophoric measures such as dihedral angles, side-chain orientation, etc. By analyzing the statistics of the resulting clusters, the probability distribution of the side-chain conformations may be determined. These probabilities allow us to predict the selectivity of [Leu]enkephalin and [Met]enkephalin to the known mu- and delta-type opiate receptors to which they bind as agonists. Other plausible consequences of these probability distributions are discussed in relation to the way in which they may influence the dynamics of the synapse.
We examined otolith opacity of Baltic cod in relation to environmental conditions in order to evaluate the formation mechanisms of seasonal patterns used in age determination. Adult fish were tagged with data storage tags (DSTs) and a permanent mark was induced in the otoliths by injection of a strontium chloride solution. Based on environmental conditions experienced, fish were classified into different behavioural types: non-reproducing 'non-spawner', and 'spawner' undertaking spawning migrations. Otolith opacity, an indicator of otolith and fish somatic growth and condition, was examined in relation to these environmental drivers. Temperature was the only environmental variable with a significant effect, overlaying a strong size-related effect. The temperature effect was not uniform across behavioural types and spawning periods. Opacity showed a negative correlation with temperature as expected -but in non-spawning fish only. In spawners, the general trend was a decrease in opacity from pre-to post spawning. A significant -but positive -temperature effect was only found in the pre-spawning period. The negative effects during and following spawning were not significant. In spawners, this decoupling leads to an otolith structure with stronger contrasts and more abrupt changes, while in non-spawners, opacity changes more smoothly. The trigger for this decoupling seems to be an interaction between temperature exposure and seasonal variations in food availability and may serve as a tool to identify the occurrence and repetitiveness of spawning in Baltic cod.
Information from data storage tags (DSTs) is conventionally used to infer movement patterns or reveal characteristics (e.g. temperature or salinity) of the environment surrounding tagged fish. Here we link data derived from DSTs with the reproductive state of tagged fish. Individual vertical activity of adult male and female Atlantic cod Gadus morhua L. in the Bornholm Basin was derived from DST measures and related to the individual histologically determined reproductive phase. Spawning migrations were identified by movements towards deeper and more saline waters. No difference was observed between sexes in the timing of the onset of migration and the duration of migration from feeding grounds to the spawning area. While there was no significant difference in duration of the spawning period between females and males, the histological characteristics suggest that females finish spawning before males. Irrespective of gender, vertical swimming activity was most pronounced during spawning, with descents towards the bottom dominating the movements. During spawning, males stayed significantly deeper than females. In conclusion, the present results suggest that initiation of spawning migration and duration of the spawning period differ between sexes, as does the level of activity during spawning events. Not all individuals followed the general pattern; a considerable number of individuals were found to spawn in shallow water in the Arkona Basin, and juvenile fish undertook the migration without spawning.
A novel simplified structural model of sarcomeric force production in striate muscle is presented. Using some simple assumptions regarding the distribution of myosin spring lengths at different sliding velocities it is possible to derive a very simple expression showing the main components of the experimentally observed force-velocity relationship of muscle: nonlinearity during contraction (Hill, 1938), maximal force production during stretching equal to two times the isometric force (Katz, 1939), yielding at high stretching velocity, slightly concave force-extension relationship during sudden length changes (Ford et al., 1977; Lombardi & Piazzesi, 1990), accurate reproduction of the rate of ATP consumption (Shirakawa et al., 2000; He et al., 2000) and of the extra energy liberation rate (Hill, 1964a). Different assumptions regarding the force-length relationship of individual cross-bridges are explored [linear, power function and worm-like chain (WLC) model based], and it is shown that the best results are obtained if the individual myosin-spring forces are modelled using a WLC model, thus hinting that entropic elasticity could be the main source of force in myosin undergoing the conformational changes associated with the power stroke.
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