Preparation and characterization of carbamoylphosphonate(CMPO) silane grafted on various mesoporous silicas

The carbamoylphosphosphonate silane (CMPO analogue; 2-(diphenylphosphoryl)-N-(3-(triethoxysilyl)propyl) acetamide) modified mesoporous silica was prepared via a post-synthesis grafting method for the effective purification of rare earth elements. The guest CMPO analogue was synthesized by direct coupling reaction of 2-(diphenylphosphoryl) acetic acid and 3-(triethoxysilyl)propan-1-amine. Various mesoporous silicates such as MCM-41, SBA-15, or amorphous silica nanoparticles were adopted as host materials. The resulting surface-modified mesoporous materials were characterized with respect to their structural integrity, surface area, and pore size and the concentration of the CMPO silane species. These CMPO functionalized periodic mesostructured silicates offer the potential of applications as catalysts, sensors, or environmental sorbents.     

A safe harbor can protect an endangered species from its predators

The objective is the study of the dynamics of a prey–predator model where the prey species can migrate between two patches. The specialist predator is confined to the first patch, where it consumes the prey following the simple law of mass action. The prey is further “endangered” in that it suffers from the strong Allee effect, assumed to occur due to the lowering of successful matings. In the second patch the prey grows logistically. The model is formulated in a comprehensive way so as to include specialist as well as generalist predators, as a continuum of possible behaviors. This model described by a set of three ordinary differential equation is an extension of some previous models proposed and analysed in the literature on metapopulation models. The following analysis issues will be addressed: boundedness of the solution, equilibrium feasibility and stability, and dynamic behaviour dependency of the population and environmental parameters. Three types for both equilibria and limit cycles are possible: trivial, predator-free and coexistence. Classical analysis techniques are used and also theoretical and numerical bifurcation analysis. Besides the well-known local bifurcations, also a homoclinic connection as a global bifurcation is calculated. In view of the difficulty in the analysis, only the specialist case will be analysed. The obtained results indicate that the safe harbor can protect the endangered species under certain parametric restrictions.

     

Modeling Dislocation-Stacking Fault Interaction Using Molecular Dynamics

In a number of fcc materials such as copper or aluminum, as well as more complex materials such as twinning induced plasticity (TWIP) steels, the interaction between dislocations and other defects such as stacking faults or twins plays an important role in the hardening behavior of such materials. Interactions of dislocation and twin or stacking fault layers have been studied in this work using molecular dynamics. Depending on the material and the loading conditions, possible interaction modes include (i) penetration of the dislocation into the faulted layer, (ii) reduction of the faulted layer after interaction, (iii) growth of the faulted layer after interaction. Such studies up to this point have been performed without temperature control near zero K (0 to 2 K). In this work, we extend the previous studies to higher temperature with the help of two methods, both based on molecular dynamics (MD) modeling. (© 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Modeling of polycrystals with gradient crystal plasticity: A comparison of strategies

This paper treats the computational modeling of size dependence in microstructure models of metals. Different gradient crystal plasticity strategies are analyzed and compared. For the numerical implementation, a dual-mixed finite element formulation which is suitable for parallelization is suggested. The paper ends with a representative numerical example for polycrystals.     

Efficient synthesis of (3R,3aS,6aR)- hexahydrofuro[2,3-b]furan-3-ol from glycolaldehyde

A one-step diastereoselective (up to 98:2) synthesis of the bis-furan alcohol of Darunavir and other HIV drug candidates has been achieved utilizing the novel cyclization of glycolaldehyde and 2,3-dihydrofuran. The cycloaddition was catalyzed by a variety of catalysts including those formed from tin(II) triflate and common chiral ligands such as BINAP and Evans's box ligands. An efficient and unique enzymatic process enhanced the enantiomeric purity to provide the target in optically pure form.     

The random <Emphasis Type="Italic">k</Emphasis> cycle walk on the symmetric group

We study the random walk on the symmetric group \(S_n\) generated by the conjugacy class of cycles of length k. We show that the convergence to uniform measure of this walk has a cut-off in total variation distance after \(\frac{n}{k}\log n\) steps, uniformly in \(k = o(n)\) as \(n \rightarrow \infty \). The analysis follows from a new asymptotic estimation of the characters of the symmetric group evaluated at cycles.     

Student Perceptions of a Summer Ventures in Science and Mathematics Camp Experience

“As the world becomes increasingly technological, the value of (the ideas and skills of its population) will be determined in no small measure by the effectiveness of science, technology, engineering, and mathematics (STEM) education in the United States” and “STEM education will determine whether the United States will remain a leader among nations and whether we will be able to solve immense challenges in such areas as energy, health, environmental protection, and national security” (President's Council of Advisors on Science and Technology, 2010, p. vii). Research on the effectiveness of STEM‐focused school and other learning experiences (e.g., short‐term camps) on student attitudes and performance outcomes is sparse. In this study, we documented the influence of an intensive STEM summer program on high school students’ attitudes toward STEM concepts and interests in STEM careers. Attending the summer program was associated with gains on students’ attitudes toward some aspects of STEM as well as specific career interests. Notably, students reported statistically significant views of important aspects of STEM and their attitudes toward science and mathematics were more positive than their attitudes about engineering and technology.