On the analysis of intermediate–energy Coulomb excitation experiments

In a recent publication [C.A. Bertulani, G. Cardella, M. De Napoli, G. Raciti, E. Rapisarda, Phys. Lett. B 650 (2007) 233] the validity of analysis methods used for intermediate-energy Coulomb excitation experiments was called into question. Applying a refined theory large corrections of results in the literature seemed needed. We show that this is not the case and that the large deviations observed in above mentioned reference are due to the use of the wrong experimental parameters in that publication. We furthermore show that an approximate expression derived in above mentioned reference is in fact equivalent to the theory of Winther and Alder, an analysis method often used in the literature.     

Analyzing the sustainability of harvesting behavior and the relationship to personality traits in a simulated Lotka–Volterra biotope

For the analysis presented in this paper we use experiments to study human behavior in a simulation environment based on a simple Lotka–Volterra predator–prey ecology. The aim is to study the influence of different harvesting strategies and of certain personality traits derived from the Hamburg Personality Inventory (HPI) [Andresen, B., 2002. HPI – Hamburger Persönlichkeitsinventar. Hogrefe, Göttingen] on the outcome in terms of sustainability and economic performance.     

Preparation and Conformation of Organo‐Bridged Bis[tris(arylchalcogenolato)tin] Compounds – An Experimental and Quantum Chemical Study

Seven organo‐bridged bis[tris(arylchalcogenolato)tin] compounds with the general formulae (R′E)₃Sn–R–Sn(ER′)₃ (R = –(CH₂)₄–, 1,4‐bis(methyl)benzene, 4,4′‐bis(methyl)biphenyl; R′ = Ph, 1‐Np, 2‐Np; E = S, Se) were synthesized and characterized by means of X‐ray diffractometry as well as NMR spectroscopy. Three different conformations of the arylchalcogenolato groups ER′ with respect to the bridging group R were rationalized and explained by means of quantum chemical investigations.     

Insights into the oxidation of propylene oxide through the analysis of experiments and kinetic modeling

Cyclic ethers are important intermediates in the oxidation of hydrocarbons and biofuels. Studying the oxidation and pyrolysis of cyclic ethers will help in improving our understanding of this functional group and provide consistency to the base mechanism where they play an important role. In this aspect, propylene oxide has been investigated in this study by obtaining ignition delay time measurements in the rapid compression machine and shock tube. The experiments were performed in a range of pressures varying from 10 to 40 bar at different equivalence ratios (0.5–2.0) and dilution percentages. Additionally, speciation measurements in the shock tube at pyrolysis conditions have been performed at a pressure of 40 bar to explore the isomerization pathways. A detailed kinetic mechanism was developed to describe both the oxidation and pyrolysis chemistry of propylene oxide. The mechanism is not only able to predict the data obtained from this study but also reproduces the data from the literature in a consistent trend. For a better understanding of the oxidation and pyrolysis chemistry of propylene oxide, the kinetic analyses were performed using the developed mechanism to comprehend the important reaction pathways and sensitive reactions. At the investigated regime, the consumption of propylene oxide through its isomerization channels is the critical pathway that controls the reactivity of the fuel.     

Preparation,catalytical activity and crystal structure of a heptanuclear zinc acetate cluster

Reaction of [Zn₄(µ₄-O)(O₂CCH₃)₆] with one equivalent of 4-tertiary-butylpyridine leads to a nearly quantitative formation of the heptanuclear cluster [Zn₇O₂(O₂CCH₃)₁₀(^tbupy)₂] (1). Here, we present the crystal structure of 1 and first results of the examination of its catalytic activity in transesterification reactions and polymerization of lactide compared to the activity of [Zn₄(µ₄-O)(O₂CCH₃)₆] in the presence of 4-tertiary-butylpyridine.     

Regioselective Oxidative Ring Opening of Cyclopropyl Silyl Ethers: A Quantum Chemical Study

In contrast to the structurally and configurationally stable alkyl‐ or aryl‐substituted cyclopropyl radical cations, cyclopropyl silyl ethers undergo spontaneous ring opening upon oxidation whereby the endocyclic C? C(O‐TMS) bond is cleaved with remarkable selectivity. DFT calculations on 1‐trimethylsilyloxybicyclo[4.1.0]heptane show that this selectivity arises from the topology of the potential surface of the corresponding radical cation which is initially generated in a very steep region of the potential surface from where the steepest descent leads to cleavage of the endocyclic rather than the lateral C? C(OTMS) bond. Cleavage of the lateral bond leads to interesting conformational changes which are explored in detail.     

Size‐Tunable Micron‐Bubbles Based on Fluorous–Fluorous Interactions of Perfluorinated Dendritic Polyglycerols

This paper describes the behavior of various generations of polyglycerol dendrimers that contain a perfluorinated shell. The aggregation in organic solvents is based on supramolecular fluorous–fluorous interactions, which can be described by means of ¹⁹F NMR spectroscopy. In order to study the interaction and aggregation phenomena of dendrimers with perfluorinated shell and perfluoro‐tagged guest molecules we investigated [G3.5]‐dendrimer with a perfluorinated shell in the presence of perfluoro‐tagged disperse red. Noteworthy, the interaction intensities varied in an unexpected manner depending on the equivalents of perfluoro‐tagged guest molecules added to the dendrimers in solution which then formed supramolecular complexes based on fluorous–fluorous interactions. We found that these complexes aggregated around residual air in the solvent to form stable micron‐sized bubbles. Their sizes correlated with the interaction intensities measured for certain dendrimer–guest molecule ratios. Degassing of the solutions led to a quasi phase separation between organic and fluorous phase, whereby the dendrimers formed the fluorous phases. Regassing the sample with air afforded bubbles of the initial size again.     

A piecewise local regularized Richardson-Lucy algorithm for remote sensing image deconvolution

As it is not possible to obtain an accurate point spread function (PSF) in remote sensing imaging, classic deconvolution methods such as Wiener filtering often introduce strong noise and ringing artifacts, which contaminate the restored images. In this paper, we modify the standard Richarson-Lucy (RL) algorithm with a piecewise local regularization term and combine it with residual deconvolution method. Experimental results show that it is effective in suppressing negative effects, and images with rich details and sharp edges are obtained.     

Graphene as a reversible spin manipulator of molecular magnets

One of the primary objectives in molecular nanospintronics is to manipulate the spin states of organic molecules with a d-electron center, by suitable external means. In this Letter, we demonstrate by first principles density functional calculations, as well as second order perturbation theory, that a strain induced change of the spin state, from S=1→S=2, takes place for an iron porphyrin (FeP) molecule deposited at a divacancy site in a graphene lattice. The process is reversible in the sense that the application of tensile or compressive strains in the graphene lattice can stabilize FeP in different spin states, each with a unique saturation moment and easy axis orientation. The effect is brought about by a change in Fe-N bond length in FeP, which influences the molecular level diagram as well as the interaction between the C atoms of the graphene layer and the molecular orbitals of FeP.