Intertwined Detection and Recognition Roles of Tetrazine in Synergistic Anion-π and H-bond Based Anion Receptor

The intrinsic properties of tetrazine as a π-anion receptor and as an on/off recognition probe merged with H-bond ability of an urea motif into a single architecture constitutes a new generation of well-defined anion receptors. Complexation properties directly benefit from the dual and synergistic contribution of tetrazine and urea. In this study, we report on the synthesis and assessment of binding properties to anions of diverse geometries. Association constants have been predicted by theoretical calculations and evaluated by multiple and complementary experimental techniques including electrospray-mass tandem spectroscopy, NMR, UV-visible, steady state fluorescence spectroscopies and time resolved fluorescence. These results provide the basis for a better understanding of both the complexation and the anion-dependent quenching mechanism.     

Environmental radioactivity of soils and sediments: Egyptian sector of the Nile valley

The activity concentrations of natural ⁴⁰K, ²³²Th, and ²³⁸U in 89 soil and 84 sediment samples collected over the entire Egyptian Nile River basin including the Nile delta are reported based on the results of epithermal neutron activation analysis. The average activity concentrations of ⁴⁰K, ²³²Th, and ²³⁸U equal to 15.3?±?6.6, 15.6?±?11.1 and 220?±?31 Bq/kg, respectively, are significantly lower than those reported for the Upper Continental Crust, World Average Sediments as well as World Average Soils, suggesting the presence of a considerable portion of mafic material, most probably originating from the Ethiopian High Plateau. Their average activity concentrations are statistically the same in soil and sediments, indicating that the Nile sediments and soil material are of the same origin. The main goal of this study was not only to estimate the radiological hazards but also to show the influence of sedimentary material transportable by the Blue Nile from the Ethiopian High Plateau. The different hazard indices like the radium equivalent, gamma index, external hazard as well as the internal hazard show a low radiological exposure either on direct contact or if local mud bricks are used in the construction of dwellings.     

How regular can the boundary of a quadratic Siegel disk be?

In the family of quadratic polynomials with an irrationally indifferent fixed point, we show the existence of Siegel disks with a fine control on the degree of regularity of the linearizing map on their boundary. A general theorem is stated and proved. As a particular case, we show that in the quadratic family, there are Siegel disks whose boundaries are but not Jordan curves.

     

Ergodicity for a weakly damped stochastic non-linear Schrödinger equation

We study a damped stochastic non-linear Schr?dinger (NLS) equation driven by an additive noise. It is white in time and smooth in space. Using a coupling method, we establish convergence of the Markov transition semi-group toward a unique invariant probability measure. This kind of method was originally developed to prove exponential mixing for strongly dissipative equations such as the Navier-Stokes equations. We consider here a weakly dissipative equation, the damped nonlinear Schr?dinger equation in the one-dimensional cubic case. We prove that the mixing property holds and that the rate of convergence to equilibrium is at least polynomial of any power.     

Nash equilibrium based fairness

There are several approaches of sharing resources among users. There is a noncooperative approach wherein each user strives to maximize its own utility. The most common optimality notion is then the Nash equilibrium. Nash equilibria are generally Pareto inefficient. On the other hand, we consider a Nash equilibrium to be fair as it is defined in a context of fair competition without coalitions (such as cartels and syndicates). We show a general framework of systems wherein there exists a Pareto optimal allocation that is Pareto superior to an inefficient Nash equilibrium. We consider this Pareto optimum to be ??Nash equilibrium based fair.?? We further define a ??Nash proportionately fair?? Pareto optimum. We then provide conditions for the existence of a Pareto-optimal allocation that is, truly or most closely, proportional to a Nash equilibrium. As examples that fit in the above framework, we consider noncooperative flow-control problems in communication networks, for which we show the conditions on the existence of Nash-proportionately fair Pareto optimal allocations.     

Bounded type Siegel disks of finite type maps with few singular values

Let U be an open subset of the Riemann sphere \(\hat {\mathbb{C}}\). We give sufficient conditions for which a finite type map f: U → \(\hat {\mathbb{C}}\) with at most three singular values has a Siegel disk compactly contained in U and whose boundary is a quasicircle containing a unique critical point. The main tool is quasiconformal surgery à la Douady-Ghys-Herman-?wi?tek. We also give sufficient conditions for which, instead, Δ has not compact closure in U. The main tool is the Schwarzian derivative and area inequalities à la Graczyk-?wi?tek.     

On the structure of multiobjective combinatorial search space: MNK-landscapes with correlated objectives

The structure of the search space explains the behavior of multiobjective search algorithms, and helps to design well-performing approaches. In this work, we analyze the properties of multiobjective combinatorial search spaces, and we pay a particular attention to the correlation between the objective functions. To do so, we extend the multiobjective NK-landscapes in order to take the objective correlation into account. We study the co-influence of the problem dimension, the degree of non-linearity, the number of objectives, and the objective correlation on the structure of the Pareto optimal set, in terms of cardinality and number of supported solutions, as well as on the number of Pareto local optima. This work concludes with guidelines for the design of multiobjective local search algorithms, based on the main fitness landscape features.     

Simulated likelihood inference for stochastic volatility models using continuous particle filtering

Discrete-time stochastic volatility (SV) models have generated a considerable literature in financial econometrics. However, carrying out inference for these models is a difficult task and often relies on carefully customized Markov chain Monte Carlo techniques. Our contribution here is twofold. First, we propose a new SV model, namely SV–GARCH, which bridges the gap between SV and GARCH models: it has the attractive feature of inheriting unconditional properties similar to the standard GARCH model but being conditionally heavier tailed. Second, we propose a likelihood-based inference technique for a large class of SV models relying on the recently introduced continuous particle filter. The approach is robust and simple to implement. The technique is applied to daily returns data for S&P 500 and Dow Jones stock price indices for various spans.     

Efficient Bayesian Inference for Multivariate Probit Models With Sparse Inverse Correlation Matrices

We propose a Bayesian approach for inference in the multivariate probit model, taking into account the association structure between binary observations. We model the association through the correlation matrix of the latent Gaussian variables. Conditional independence is imposed by setting some off-diagonal elements of the inverse correlation matrix to zero and this sparsity structure is modeled using a decomposable graphical model. We propose an efficient Markov chain Monte Carlo algorithm relying on a parameter expansion scheme to sample from the resulting posterior distribution. This algorithm updates the correlation matrix within a simple Gibbs sampling framework and allows us to infer the correlation structure from the data, generalizing methods used for inference in decomposable Gaussian graphical models to multivariate binary observations. We demonstrate the performance of this model and of the Markov chain Monte Carlo algorithm on simulated and real datasets. This article has online supplementary materials.     

Possible Role of the Iron Coordination Sphere in Hemoprotein Electron Transfer Self-Exchange: (1)H NMR Study of the Cytochrome c-PMe(3) Complex

The rates of self-exchange electron transfer in the trimethylphosphine complex of cytochrome c have been measured by an NMR technique over a large range of ionic strengths. The rate constant is 1.56 x 10(4) M(-)(1) s(-)(1) at 23 degrees C (&mgr; = 0.34 M) at pH 6.9. Dependence on ionic strength of the rate constant is treated by van Leeuwen theory. Extrapolation of the rate constant to infinite ionic strength gives a rate constant of 3.9 x 10(5) M(-)(1) s(-)(1). This rate constant is compared with others reported for myoglobin and cytochrome b(5)(). The values for these systems range over 2 orders of magnitude with myoglobin-PMe(3) < cytochrome b(5)() < cytochrome c-PMe(3) < cytochrome c. Analysis of the data in terms of Marcus theory gives a reorganization energy, lambda, for self-exchange of 0.75 eV mol(-)(1) for cytochrome c-PMe(3). Substitution of Met-80 by PMe(3) appears to influence only weakly the rearrangement barrier to electron transfer.