Atmospheric Science Librarians International (ASLI) professional organization for atmospheric science librarians [poster]

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Sequence-Based Analysis of Thermal Adaptation and Protein Energy Landscapes in an Invasive Blue Mussel (Mytilus galloprovincialis).

Adaptive responses to thermal stress in poikilotherms plays an important role in determining competitive ability and species distributions. Amino acid substitutions that affect protein stability and modify the thermal optima of orthologous proteins may be particularly important in this context. Here, we examine a set of 2,770 protein-coding genes to determine if proteins in a highly invasive heat tolerant blue mussel (Mytilus galloprovincialis) contain signals of adaptive increases in protein stability relative to orthologs in a more cold tolerant M. trossulus. Such thermal adaptations might help to explain, mechanistically, the success with which the invasive marine mussel M. galloprovincialis has displaced native species in contact zones in the eastern (California) and western (Japan) Pacific. We tested for stabilizing amino acid substitutions in warm tolerant M. galloprovincialis relative to cold tolerant M. trossulus with a generalized linear model that compares in silico estimates of recent changes in protein stability among closely related congeners. Fixed substitutions in M. galloprovincialis were 3,180.0 calories per mol per substitution more stabilizing at genes with both elevated dN/dS ratios and transcriptional responses to heat stress, and 705.8 calories per mol per substitution more stabilizing across all 2,770 loci investigated. Amino acid substitutions concentrated in a small number of genes were more stabilizing in M. galloprovincialis compared with cold tolerant M. trossulus. We also tested for, but did not find, enrichment of a priori GO terms in genes with elevated dN/dS ratios in M. galloprovincialis. This might indicate that selection for thermodynamic stability is generic across all lineages, and suggests that the high change in estimated protein stability that we observed in M. galloprovincialis is driven by selection for extra stabilizing substitutions, rather than by higher incidence of selection in a greater number of genes in this lineage. Nonetheless, our finding of more stabilizing amino acid changes in the warm adapted lineage is important because it suggests that adaption for thermal stability has contributed to M. galloprovincialis' superior tolerance to heat stress, and that pairing tests for positive selection and tests for transcriptional response to heat stress can identify candidates of protein stability adaptation

The Physical and Physiological Effects of Child Labor

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Preserving Value in the Post-BAPCPA Era — An Empirical Study

Through the use of a multivariate regression model, this article studies the effect on debtor reorganization values of the shortened reorganization timeframe imposed by the Bankruptcy Abuse Prevention and Consumer Protection Act (“BAPCPA”). The study shows that BAPCPA is positively correlated at a statistically significant level with higher reorganization recoveries. This result is attributed to the increased proportion of prepackaged and prenegotiated bankruptcies observed in the post-2005 era, as these “fast-track” bankruptcy cases entail lower costs and better preserve the firm’s value

A case study in hexahedral mesh generation: Simulation of the human mandible

We provide a case study for the generation of pure hexahedral meshes for the numerical simulation of physiological stress scenarios of the human mandible. Due to its complex and very detailed free-form geometry, the mandible model is very demanding. This test case is used as a running example to demonstrate the applicability of a combinatorial approach for the generation of hexahedral meshes by means of successive dual cycle eliminations, which has been proposed by the second author in previous work. We report on the progress and recent advances of the cycle elimination scheme. The given input data, a surface triangulation obtained from computed tomography data, requires a substantial mesh reduction and a suitable conversion into a quadrilateral surface mesh as a first step, for which we use mesh clustering and b-matching techniques. Several strategies for improved cycle elimination orders are proposed. They lead to a significant reduction in the mesh size and a better structural quality. Based on the resulting combinatorial meshes, gradient-based optimized smoothing with the condition number of the Jacobian matrix as objective together with mesh untangling techniques yielded embeddings of a satisfactory quality. To test our hexahedral meshes for the mandible model within an FEM simulation we used the scenario of a bite on a ‘hard nut.’ Our simulation results are in good agreement with observations from biomechanical experiments

Molecular Dynamics Simulations of Detonation Instability

After making modifications to the Reactive Empirical Bond Order potential for Molecular Dynamics (MD) of Brenner et al. in order to make the model behave in a more conventional manner, we discover that the new model exhibits detonation instability, a first for MD. The instability is analyzed in terms of the accepted theory.Comment: 7 pages, 6 figures. Submitted to Phys. Rev. E Minor edits. Removed parenthetical statement about P^\nu from conclusion

Robust determination of relaxation times spectra of long-time multirelaxation processes

Long-time relaxation processes occur in numerous physical systems. They are often regarded as multirelaxation processes, which are a superposition of exponential decays with a certain distribution of relaxation times. The relaxation times spectra often convey information about the underlying physics. Extracting the spectrum of relaxation times from experimental data is, however, difficult. This is partly due to the mathematical properties of the problem and partly due to experimental limitations. In this paper, we perform the inversion of time-series relaxation data into a relaxation spectrum using the singular value decomposition accompanied by the Akaike information criterion estimator.We show that this approach does not need any apriori information on the spectral shape and that it delivers a solution that consistently approximates the best one achievable for given experimental dataset. On the contrary, we show that the solution obtained imposing an optimal fit of experimental data is often far from reconstructing well the distribution of relaxation times

Thermal decomposition of RDX from reactive molecular dynamics

We use the recently developed reactive force field ReaxFF with molecular dynamics to study thermal induced chemistry in RDX [cyclic-[CH2N(NO2)]3] at various temperatures and densities. We find that the time evolution of the potential energy can be described reasonably well with a single exponential function from which we obtain an overall characteristic time of decomposition that increases with decreasing density and shows an Arrhenius temperature dependence. These characteristic timescales are in reasonable quantitative agreement with experimental measurements in a similar energetic material, HMX [cyclic-[CH2N(NO2)]4]. Our simulations show that the equilibrium population of CO and CO2 (as well as their time evolution) depend strongly of density: at low density almost all carbon atoms form CO molecules; as the density increases larger aggregates of carbon appear leading to a C deficient gas phase and the appearance of CO2 molecules. The equilibrium populations of N2 and H2O are more insensitive with respect to density and form in the early stages of the decomposition process with similar timescales