Adaptive evolution of molecular phenotypes

Molecular phenotypes link genomic information with organismic functions, fitness, and evolution. Quantitative traits are complex phenotypes that depend on multiple genomic loci. In this paper, we study the adaptive evolution of a quantitative trait under time-dependent selection, which arises from environmental changes or through fitness interactions with other co-evolving phenotypes. We analyze a model of trait evolution under mutations and genetic drift in a single-peak fitness seascape. The fitness peak performs a constrained random walk in the trait amplitude, which determines the time-dependent trait optimum in a given population. We derive analytical expressions for the distribution of the time-dependent trait divergence between populations and of the trait diversity within populations. Based on this solution, we develop a method to infer adaptive evolution of quantitative traits. Specifically, we show that the ratio of the average trait divergence and the diversity is a universal function of evolutionary time, which predicts the stabilizing strength and the driving rate of the fitness seascape. From an information-theoretic point of view, this function measures the macro-evolutionary entropy in a population ensemble, which determines the predictability of the evolutionary process. Our solution also quantifies two key characteristics of adapting populations: the cumulative fitness flux, which measures the total amount of adaptation, and the adaptive load, which is the fitness cost due to a population's lag behind the fitness peak.Comment: Figures are not optimally displayed in Firefo

(2+1) resonant enhanced multiphoton ionization of H_2 via the E, F^(1)Σ^+_g state

In this paper, we report the results of ab initio calculations of photoelectron angular distributions and vibrational branching ratios for the (2+1) REMPI of H_2 via the E, F^(1)Σ^+_g state, and compare these with the experimental data of Anderson et al. [Chem. Phys. Lett. 105, 22 (1984)]. These results show that the observed non‐Franck–Condon behavior is predominantly due to the R dependence of the transition matrix elements, and to a lesser degree to the energy dependence. This work presents the first molecular REMPI study employing a correlated wave function to describe the Rydberg–valence mixing in the resonant intermediate state

Statistical multifragmentation model with discretized energy and the generalized Fermi breakup. I. Formulation of the model

The Generalized Fermi Breakup recently demonstrated to be formally equivalent to the Statistical Multifragmentation Model, if the contribution of excited states are included in the state densities of the former, is implemented. Since this treatment requires the application of the Statistical Multifragmentation Model repeatedly on the hot fragments until they have decayed to their ground states, it becomes extremely computational demanding, making its application to the systems of interest extremely difficult. Based on exact recursion formulae previously developed by Chase and Mekjian to calculate the statistical weights very efficiently, we present an implementation which is efficient enough to allow it to be applied to large systems at high excitation energies. Comparison with the GEMINI++ sequential decay code shows that the predictions obtained with our treatment are fairly similar to those obtained with this more traditional model.Comment: 8 pages, 6 figure

Stochastic delocalization of finite populations

Heterogeneities in environmental conditions often induce corresponding heterogeneities in the distribution of species. In the extreme case of a localized patch of increased growth rates, reproducing populations can become strongly concentrated at the patch despite the entropic tendency for population to distribute evenly. Several deterministic mathematical models have been used to characterize the conditions under which localized states can form, and how they break down due to convective driving forces. Here, we study the delocalization of a finite population in the presence of number fluctuations. We find that any finite population delocalizes on sufficiently long time scales. Depending on parameters, however, populations may remain localized for a very long time. The typical waiting time to delocalization increases exponentially with both population size and distance to the critical wind speed of the deterministic approximation. We augment these simulation results by a mathematical analysis that treats the reproduction and migration of individuals as branching random walks subject to global constraints. For a particular constraint, different from a fixed population size constraint, this model yields a solvable first moment equation. We find that this solvable model approximates very well the fixed population size model for large populations, but starts to deviate as population sizes are small. The analytical approach allows us to map out a phase diagram of the order parameter as a function of the two driving parameters, inverse population size and wind speed. Our results may be used to extend the analysis of delocalization transitions to different settings, such as the viral quasi-species scenario

Characterization of blood drawn rapidly for use in blood volume expansion studies: An animal model for simulated weightlessness

It was demonstrated that up to 8ml of blood can be drawn from donar rats without significantly increasing volume and stress sensitive hormones, and thus can be used for volume expansion studies. Infusion of whole blood allows more physiological changes that can be seen with volume expansion by saline or other ionic solutions. The infusion of whole blood to induce hypervolemia may provide an improved model to study the fluid balance and control mechanisms operative in weightlessness. Blood samples were drawn as quickly as possible from femoral artery catheters chronically implanted in Sprague Dawley rats and analyzed for hematocrit, plasma sodium, potassium, osmolality, corticosterone, epinepherine, norepinephrine, and vasopressin. The levels were found to be comparable to those of normal rats

First Supramolecular Sensors for Phosphonate Anions

Fluorescent tripodal anion sensors with a 1,3,5-triethylbenzene core display a turn-on fluorescence response to phosphonate and phosphate anions and may be used as optical sensors. The properties of the receptors and sensors as well as their anion binding behavior were investigated both in solution and in solid state. The turn-on fluorescence response can be leveraged in sensing of phosphate anions and, most importantly, hydrolysis products of the nerve gas sarin, isopropyl methylphosphonate (IMP), and methylphosphonate (MP). The fluorescence signal amplification in the presence of anions allows for application of these molecules in a sensor microarray suitable for high-throughput screening.NSF CHE 0750303, EXP-LA 0731153BGSU (TIE Grant)Chemistr

The collective quantization of three-flavored Skyrmions revisited

A self-consistent large $N_c$ approach is developed for the collective quantization of SU(3) flavor hedgehog solitons, such as the Skyrmion. The key to this analysis is the determination of all of the zero modes associated with small fluctuations around the hedgehog. These are used in the conventional way to construct collective coordinates. This approach differs from previous work in that it does not implicitly assume that each static zero mode is associated with a dynamical zero mode. It is demonstrated explicitly in the context of the Skyrmion that there are fewer dynamical zero modes than static ones due to the Witten-Wess-Zumino term in the action. Group-theoretic methods are employed to identify the physical states resulting from canonical quantization of the collectively rotating soliton. The collective states fall into representations of SU(3) flavor labeled by $(p,q)$ and are given by $(2J, \frac{Nc}{2} -J)$ where $J={1/2},{3/2},...$ is the spin of the collective state. States with strangeness $S > 0$ do not arise as collective states from this procedure; thus the $\theta^{+}$ (pentaquark) resonance does not arise as a collective excitation in models of this type.Comment: 12 pages; uses package "youngtab

Fe−3s core-level splitting and local magnetism in Fe2VAl

X-ray and soft x-ray photoelectron spectra were taken on Fe2VAl samples. The Fe−3s spectra show a shoulder on the higher binding energy side of the main peak, split by ≈4.7 eV. Based on current understanding of core-level multiplet splitting in transition-metal compounds, we believe this is direct evidence of a local moment in Fe2VAl